USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=15 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 92 HIS : no HD1:sc= -0.387 X(o=-0.38,f=-0.12) USER MOD Set 1.2: A 123 TYR OH : rot 42:sc= 0.00415 USER MOD Set 2.1: A 46 MET CE :methyl 164:sc= -4.55! (180deg=-6.39!) USER MOD Set 2.2: A 48 MET CE :methyl -124:sc= -8.41! (180deg=-15.3!) USER MOD Set 2.3: A 87 THR OG1 : rot 95:sc= 0.203 USER MOD Set 3.1: A 18 GLN : amide:sc= 0.74 K(o=-1.2,f=-6.6!) USER MOD Set 3.2: A 21 THR OG1 : rot -140:sc= -1.9! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 33 ASN : amide:sc= 1.67 K(o=1.7,f=-0.92) USER MOD Single : A 36 ASN : amide:sc= -1.79 K(o=-1.8,f=-7.2!) USER MOD Single : A 44 GLN : amide:sc= -0.831 K(o=-0.83,f=-2.7!) USER MOD Single : A 47 MET CE :methyl 173:sc= -0.362 (180deg=-0.562) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -3.19! C(o=-3.8!,f=-3.2!) USER MOD Single : A 60 HIS : no HD1:sc= -4.84! C(o=-4.8!,f=-4.7!) USER MOD Single : A 65 ASN : amide:sc= -0.803 K(o=-0.8,f=-2.7!) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 73 THR OG1 : rot 180:sc= -2.37! USER MOD Single : A 77 HIS : no HE2:sc= -6.29! C(o=-6.3!,f=-6.7!) USER MOD Single : A 101 CYS SG : rot -173:sc= -2.37 USER MOD Single : A 115 GLN : amide:sc= -0.251 K(o=-0.25,f=-2) USER MOD Single : A 117 HIS : no HD1:sc= -7.26 K(o=-7.3,f=-8.4!) USER MOD Single : A 125 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-2.4!) USER MOD Single : A 128 THR OG1 : rot -46:sc= -1.85 USER MOD ----------------------------------------------------------------- ATOM 150 N ASP A 7 106.047 1.757 -17.662 1.00 0.00 N ATOM 151 CA ASP A 7 106.273 1.139 -16.323 1.00 0.00 C ATOM 152 C ASP A 7 107.368 1.901 -15.574 1.00 0.00 C ATOM 153 O ASP A 7 107.305 2.080 -14.373 1.00 0.00 O ATOM 154 CB ASP A 7 106.720 -0.295 -16.613 1.00 0.00 C ATOM 155 CG ASP A 7 105.497 -1.158 -16.930 1.00 0.00 C ATOM 156 OD1 ASP A 7 104.562 -0.635 -17.512 1.00 0.00 O ATOM 157 OD2 ASP A 7 105.517 -2.327 -16.583 1.00 0.00 O ATOM 0 HA ASP A 7 105.379 1.165 -15.700 1.00 0.00 H new ATOM 0 HB2 ASP A 7 107.414 -0.308 -17.453 1.00 0.00 H new ATOM 0 HB3 ASP A 7 107.252 -0.702 -15.753 1.00 0.00 H new ATOM 162 N ALA A 8 108.371 2.354 -16.278 1.00 0.00 N ATOM 163 CA ALA A 8 109.476 3.110 -15.614 1.00 0.00 C ATOM 164 C ALA A 8 108.995 4.505 -15.205 1.00 0.00 C ATOM 165 O ALA A 8 109.560 5.135 -14.331 1.00 0.00 O ATOM 166 CB ALA A 8 110.578 3.212 -16.670 1.00 0.00 C ATOM 0 H ALA A 8 108.474 2.234 -17.286 1.00 0.00 H new ATOM 0 HA ALA A 8 109.824 2.617 -14.707 1.00 0.00 H new ATOM 0 HB1 ALA A 8 111.428 3.756 -16.258 1.00 0.00 H new ATOM 0 HB2 ALA A 8 110.895 2.211 -16.963 1.00 0.00 H new ATOM 0 HB3 ALA A 8 110.197 3.742 -17.543 1.00 0.00 H new ATOM 172 N GLY A 9 107.952 4.993 -15.829 1.00 0.00 N ATOM 173 CA GLY A 9 107.432 6.347 -15.476 1.00 0.00 C ATOM 174 C GLY A 9 107.073 6.393 -13.989 1.00 0.00 C ATOM 175 O GLY A 9 107.065 7.442 -13.373 1.00 0.00 O ATOM 0 H GLY A 9 107.439 4.511 -16.567 1.00 0.00 H new ATOM 0 HA2 GLY A 9 108.182 7.105 -15.702 1.00 0.00 H new ATOM 0 HA3 GLY A 9 106.554 6.578 -16.079 1.00 0.00 H new ATOM 179 N LEU A 10 106.773 5.261 -13.409 1.00 0.00 N ATOM 180 CA LEU A 10 106.408 5.227 -11.963 1.00 0.00 C ATOM 181 C LEU A 10 107.660 5.377 -11.089 1.00 0.00 C ATOM 182 O LEU A 10 107.637 6.026 -10.059 1.00 0.00 O ATOM 183 CB LEU A 10 105.753 3.849 -11.770 1.00 0.00 C ATOM 184 CG LEU A 10 105.726 3.468 -10.285 1.00 0.00 C ATOM 185 CD1 LEU A 10 104.942 4.515 -9.496 1.00 0.00 C ATOM 186 CD2 LEU A 10 105.049 2.104 -10.128 1.00 0.00 C ATOM 0 H LEU A 10 106.765 4.355 -13.877 1.00 0.00 H new ATOM 0 HA LEU A 10 105.742 6.041 -11.675 1.00 0.00 H new ATOM 0 HB2 LEU A 10 104.737 3.864 -12.166 1.00 0.00 H new ATOM 0 HB3 LEU A 10 106.304 3.096 -12.334 1.00 0.00 H new ATOM 0 HG LEU A 10 106.746 3.421 -9.905 1.00 0.00 H new ATOM 0 HD11 LEU A 10 104.926 4.239 -8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 10 105.419 5.488 -9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 10 103.921 4.565 -9.873 1.00 0.00 H new ATOM 0 HD21 LEU A 10 105.027 1.828 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 10 104.030 2.158 -10.510 1.00 0.00 H new ATOM 0 HD23 LEU A 10 105.608 1.354 -10.688 1.00 0.00 H new ATOM 198 N ALA A 11 108.750 4.776 -11.483 1.00 0.00 N ATOM 199 CA ALA A 11 109.994 4.875 -10.667 1.00 0.00 C ATOM 200 C ALA A 11 110.752 6.172 -10.974 1.00 0.00 C ATOM 201 O ALA A 11 111.316 6.790 -10.093 1.00 0.00 O ATOM 202 CB ALA A 11 110.825 3.656 -11.071 1.00 0.00 C ATOM 0 H ALA A 11 108.833 4.221 -12.335 1.00 0.00 H new ATOM 0 HA ALA A 11 109.779 4.893 -9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 11 111.762 3.653 -10.514 1.00 0.00 H new ATOM 0 HB2 ALA A 11 110.268 2.746 -10.849 1.00 0.00 H new ATOM 0 HB3 ALA A 11 111.038 3.699 -12.139 1.00 0.00 H new ATOM 208 N THR A 12 110.778 6.586 -12.213 1.00 0.00 N ATOM 209 CA THR A 12 111.512 7.839 -12.560 1.00 0.00 C ATOM 210 C THR A 12 110.898 9.040 -11.831 1.00 0.00 C ATOM 211 O THR A 12 111.602 9.899 -11.337 1.00 0.00 O ATOM 212 CB THR A 12 111.370 7.986 -14.078 1.00 0.00 C ATOM 213 OG1 THR A 12 112.183 9.062 -14.523 1.00 0.00 O ATOM 214 CG2 THR A 12 109.912 8.264 -14.443 1.00 0.00 C ATOM 0 H THR A 12 110.326 6.114 -12.996 1.00 0.00 H new ATOM 0 HA THR A 12 112.559 7.796 -12.259 1.00 0.00 H new ATOM 0 HB THR A 12 111.687 7.061 -14.559 1.00 0.00 H new ATOM 0 HG1 THR A 12 112.096 9.158 -15.494 1.00 0.00 H new ATOM 0 HG21 THR A 12 109.821 8.367 -15.524 1.00 0.00 H new ATOM 0 HG22 THR A 12 109.288 7.437 -14.103 1.00 0.00 H new ATOM 0 HG23 THR A 12 109.586 9.186 -13.962 1.00 0.00 H new ATOM 222 N ALA A 13 109.593 9.107 -11.755 1.00 0.00 N ATOM 223 CA ALA A 13 108.949 10.254 -11.051 1.00 0.00 C ATOM 224 C ALA A 13 109.244 10.165 -9.551 1.00 0.00 C ATOM 225 O ALA A 13 109.690 11.115 -8.938 1.00 0.00 O ATOM 226 CB ALA A 13 107.448 10.107 -11.319 1.00 0.00 C ATOM 0 H ALA A 13 108.949 8.420 -12.148 1.00 0.00 H new ATOM 0 HA ALA A 13 109.320 11.218 -11.399 1.00 0.00 H new ATOM 0 HB1 ALA A 13 106.910 10.919 -10.830 1.00 0.00 H new ATOM 0 HB2 ALA A 13 107.265 10.145 -12.393 1.00 0.00 H new ATOM 0 HB3 ALA A 13 107.100 9.152 -10.925 1.00 0.00 H new ATOM 232 N ALA A 14 109.006 9.025 -8.956 1.00 0.00 N ATOM 233 CA ALA A 14 109.277 8.870 -7.496 1.00 0.00 C ATOM 234 C ALA A 14 110.713 9.298 -7.166 1.00 0.00 C ATOM 235 O ALA A 14 110.952 10.014 -6.214 1.00 0.00 O ATOM 236 CB ALA A 14 109.087 7.379 -7.216 1.00 0.00 C ATOM 0 H ALA A 14 108.636 8.195 -9.418 1.00 0.00 H new ATOM 0 HA ALA A 14 108.617 9.490 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 14 109.269 7.181 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.068 7.088 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 14 109.789 6.803 -7.819 1.00 0.00 H new ATOM 242 N ALA A 15 111.666 8.861 -7.946 1.00 0.00 N ATOM 243 CA ALA A 15 113.086 9.236 -7.677 1.00 0.00 C ATOM 244 C ALA A 15 113.326 10.715 -8.004 1.00 0.00 C ATOM 245 O ALA A 15 114.294 11.305 -7.565 1.00 0.00 O ATOM 246 CB ALA A 15 113.915 8.339 -8.601 1.00 0.00 C ATOM 0 H ALA A 15 111.523 8.260 -8.758 1.00 0.00 H new ATOM 0 HA ALA A 15 113.352 9.102 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 15 114.975 8.554 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 15 113.723 7.293 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.638 8.530 -9.638 1.00 0.00 H new ATOM 252 N ARG A 16 112.456 11.321 -8.770 1.00 0.00 N ATOM 253 CA ARG A 16 112.647 12.760 -9.118 1.00 0.00 C ATOM 254 C ARG A 16 111.817 13.653 -8.191 1.00 0.00 C ATOM 255 O ARG A 16 111.445 14.754 -8.547 1.00 0.00 O ATOM 256 CB ARG A 16 112.158 12.886 -10.561 1.00 0.00 C ATOM 257 CG ARG A 16 113.309 12.556 -11.514 1.00 0.00 C ATOM 258 CD ARG A 16 112.803 12.578 -12.957 1.00 0.00 C ATOM 259 NE ARG A 16 112.300 13.963 -13.167 1.00 0.00 N ATOM 260 CZ ARG A 16 111.130 14.157 -13.711 1.00 0.00 C ATOM 261 NH1 ARG A 16 110.116 13.414 -13.359 1.00 0.00 N ATOM 262 NH2 ARG A 16 110.976 15.092 -14.608 1.00 0.00 N ATOM 0 H ARG A 16 111.625 10.884 -9.168 1.00 0.00 H new ATOM 0 HA ARG A 16 113.685 13.073 -9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 16 111.321 12.209 -10.734 1.00 0.00 H new ATOM 0 HB3 ARG A 16 111.794 13.897 -10.747 1.00 0.00 H new ATOM 0 HG2 ARG A 16 114.116 13.278 -11.390 1.00 0.00 H new ATOM 0 HG3 ARG A 16 113.721 11.575 -11.277 1.00 0.00 H new ATOM 0 HD2 ARG A 16 113.601 12.337 -13.659 1.00 0.00 H new ATOM 0 HD3 ARG A 16 112.012 11.843 -13.109 1.00 0.00 H new ATOM 0 HE ARG A 16 112.870 14.761 -12.886 1.00 0.00 H new ATOM 0 HH11 ARG A 16 110.239 12.682 -12.659 1.00 0.00 H new ATOM 0 HH12 ARG A 16 109.201 13.565 -13.784 1.00 0.00 H new ATOM 0 HH21 ARG A 16 111.770 15.670 -14.883 1.00 0.00 H new ATOM 0 HH22 ARG A 16 110.062 15.245 -15.034 1.00 0.00 H new ATOM 276 N GLY A 17 111.525 13.189 -7.004 1.00 0.00 N ATOM 277 CA GLY A 17 110.718 14.015 -6.056 1.00 0.00 C ATOM 278 C GLY A 17 109.384 14.385 -6.708 1.00 0.00 C ATOM 279 O GLY A 17 108.883 15.480 -6.543 1.00 0.00 O ATOM 0 H GLY A 17 111.810 12.276 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 17 110.543 13.462 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 17 111.266 14.918 -5.787 1.00 0.00 H new ATOM 283 N GLN A 18 108.810 13.479 -7.453 1.00 0.00 N ATOM 284 CA GLN A 18 107.511 13.772 -8.126 1.00 0.00 C ATOM 285 C GLN A 18 106.394 12.902 -7.529 1.00 0.00 C ATOM 286 O GLN A 18 106.183 11.778 -7.942 1.00 0.00 O ATOM 287 CB GLN A 18 107.759 13.419 -9.595 1.00 0.00 C ATOM 288 CG GLN A 18 108.622 14.505 -10.244 1.00 0.00 C ATOM 289 CD GLN A 18 107.795 15.780 -10.432 1.00 0.00 C ATOM 290 OE1 GLN A 18 106.585 15.728 -10.514 1.00 0.00 O ATOM 291 NE2 GLN A 18 108.403 16.933 -10.510 1.00 0.00 N ATOM 0 H GLN A 18 109.185 12.546 -7.625 1.00 0.00 H new ATOM 0 HA GLN A 18 107.192 14.807 -8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 18 108.257 12.452 -9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 18 106.810 13.330 -10.124 1.00 0.00 H new ATOM 0 HG2 GLN A 18 109.491 14.713 -9.620 1.00 0.00 H new ATOM 0 HG3 GLN A 18 108.996 14.158 -11.207 1.00 0.00 H new ATOM 0 HE21 GLN A 18 109.420 16.979 -10.441 1.00 0.00 H new ATOM 0 HE22 GLN A 18 107.861 17.787 -10.640 1.00 0.00 H new ATOM 300 N VAL A 19 105.679 13.414 -6.556 1.00 0.00 N ATOM 301 CA VAL A 19 104.578 12.617 -5.928 1.00 0.00 C ATOM 302 C VAL A 19 103.296 12.717 -6.768 1.00 0.00 C ATOM 303 O VAL A 19 102.769 11.721 -7.223 1.00 0.00 O ATOM 304 CB VAL A 19 104.378 13.242 -4.536 1.00 0.00 C ATOM 305 CG1 VAL A 19 103.001 12.865 -3.975 1.00 0.00 C ATOM 306 CG2 VAL A 19 105.459 12.719 -3.585 1.00 0.00 C ATOM 0 H VAL A 19 105.810 14.349 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 19 104.820 11.556 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 19 104.446 14.326 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.874 13.314 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.223 13.232 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 19 102.927 11.781 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 19 105.320 13.160 -2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 19 105.385 11.634 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 19 106.443 12.990 -3.968 1.00 0.00 H new ATOM 316 N GLU A 20 102.787 13.908 -6.963 1.00 0.00 N ATOM 317 CA GLU A 20 101.531 14.070 -7.765 1.00 0.00 C ATOM 318 C GLU A 20 101.651 13.325 -9.097 1.00 0.00 C ATOM 319 O GLU A 20 100.781 12.567 -9.483 1.00 0.00 O ATOM 320 CB GLU A 20 101.404 15.576 -8.007 1.00 0.00 C ATOM 321 CG GLU A 20 101.135 16.286 -6.679 1.00 0.00 C ATOM 322 CD GLU A 20 101.381 17.788 -6.838 1.00 0.00 C ATOM 323 OE1 GLU A 20 102.084 18.162 -7.763 1.00 0.00 O ATOM 324 OE2 GLU A 20 100.863 18.541 -6.030 1.00 0.00 O ATOM 0 H GLU A 20 103.185 14.775 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 20 100.661 13.663 -7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 20 102.318 15.961 -8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 20 100.594 15.775 -8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 20 100.108 16.108 -6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 20 101.783 15.882 -5.902 1.00 0.00 H new ATOM 331 N THR A 21 102.731 13.533 -9.794 1.00 0.00 N ATOM 332 CA THR A 21 102.942 12.842 -11.102 1.00 0.00 C ATOM 333 C THR A 21 102.794 11.325 -10.934 1.00 0.00 C ATOM 334 O THR A 21 102.310 10.639 -11.814 1.00 0.00 O ATOM 335 CB THR A 21 104.370 13.208 -11.506 1.00 0.00 C ATOM 336 OG1 THR A 21 104.992 13.905 -10.438 1.00 0.00 O ATOM 337 CG2 THR A 21 104.341 14.101 -12.750 1.00 0.00 C ATOM 0 H THR A 21 103.486 14.158 -9.513 1.00 0.00 H new ATOM 0 HA THR A 21 102.214 13.142 -11.855 1.00 0.00 H new ATOM 0 HB THR A 21 104.930 12.300 -11.729 1.00 0.00 H new ATOM 0 HG1 THR A 21 105.528 14.643 -10.797 1.00 0.00 H new ATOM 0 HG21 THR A 21 105.360 14.360 -13.036 1.00 0.00 H new ATOM 0 HG22 THR A 21 103.859 13.568 -13.569 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.783 15.011 -12.531 1.00 0.00 H new ATOM 345 N VAL A 22 103.200 10.798 -9.810 1.00 0.00 N ATOM 346 CA VAL A 22 103.072 9.329 -9.585 1.00 0.00 C ATOM 347 C VAL A 22 101.642 8.994 -9.148 1.00 0.00 C ATOM 348 O VAL A 22 101.136 7.923 -9.419 1.00 0.00 O ATOM 349 CB VAL A 22 104.073 9.003 -8.472 1.00 0.00 C ATOM 350 CG1 VAL A 22 103.969 7.522 -8.101 1.00 0.00 C ATOM 351 CG2 VAL A 22 105.492 9.300 -8.963 1.00 0.00 C ATOM 0 H VAL A 22 103.614 11.321 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 22 103.275 8.750 -10.486 1.00 0.00 H new ATOM 0 HB VAL A 22 103.849 9.613 -7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 22 104.683 7.294 -7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 22 102.959 7.304 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 22 104.191 6.911 -8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 22 106.206 9.069 -8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 22 105.709 8.689 -9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 22 105.572 10.354 -9.228 1.00 0.00 H new ATOM 361 N ARG A 23 100.986 9.905 -8.476 1.00 0.00 N ATOM 362 CA ARG A 23 99.587 9.641 -8.026 1.00 0.00 C ATOM 363 C ARG A 23 98.693 9.344 -9.233 1.00 0.00 C ATOM 364 O ARG A 23 97.810 8.511 -9.176 1.00 0.00 O ATOM 365 CB ARG A 23 99.134 10.931 -7.337 1.00 0.00 C ATOM 366 CG ARG A 23 99.893 11.112 -6.022 1.00 0.00 C ATOM 367 CD ARG A 23 99.352 10.134 -4.976 1.00 0.00 C ATOM 368 NE ARG A 23 98.389 10.930 -4.165 1.00 0.00 N ATOM 369 CZ ARG A 23 98.151 10.597 -2.926 1.00 0.00 C ATOM 370 NH1 ARG A 23 99.010 10.902 -1.992 1.00 0.00 N ATOM 371 NH2 ARG A 23 97.055 9.959 -2.618 1.00 0.00 N ATOM 0 H ARG A 23 101.359 10.819 -8.220 1.00 0.00 H new ATOM 0 HA ARG A 23 99.527 8.781 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 23 99.312 11.785 -7.991 1.00 0.00 H new ATOM 0 HB3 ARG A 23 98.061 10.894 -7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 23 100.958 10.940 -6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 23 99.785 12.137 -5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 23 98.861 9.283 -5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 23 100.155 9.735 -4.356 1.00 0.00 H new ATOM 0 HE ARG A 23 97.916 11.734 -4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 23 99.867 11.401 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 23 98.824 10.642 -1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 23 96.382 9.720 -3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 23 96.871 9.700 -1.649 1.00 0.00 H new ATOM 385 N GLN A 24 98.917 10.026 -10.325 1.00 0.00 N ATOM 386 CA GLN A 24 98.083 9.793 -11.540 1.00 0.00 C ATOM 387 C GLN A 24 98.551 8.534 -12.276 1.00 0.00 C ATOM 388 O GLN A 24 97.766 7.662 -12.589 1.00 0.00 O ATOM 389 CB GLN A 24 98.298 11.032 -12.410 1.00 0.00 C ATOM 390 CG GLN A 24 97.418 10.943 -13.658 1.00 0.00 C ATOM 391 CD GLN A 24 98.071 11.729 -14.797 1.00 0.00 C ATOM 392 OE1 GLN A 24 97.580 12.766 -15.193 1.00 0.00 O ATOM 393 NE2 GLN A 24 99.166 11.274 -15.343 1.00 0.00 N ATOM 0 H GLN A 24 99.643 10.735 -10.428 1.00 0.00 H new ATOM 0 HA GLN A 24 97.032 9.642 -11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 24 98.055 11.932 -11.845 1.00 0.00 H new ATOM 0 HB3 GLN A 24 99.347 11.109 -12.697 1.00 0.00 H new ATOM 0 HG2 GLN A 24 97.286 9.901 -13.950 1.00 0.00 H new ATOM 0 HG3 GLN A 24 96.426 11.343 -13.447 1.00 0.00 H new ATOM 0 HE21 GLN A 24 99.578 10.403 -15.010 1.00 0.00 H new ATOM 0 HE22 GLN A 24 99.610 11.790 -16.103 1.00 0.00 H new ATOM 402 N LEU A 25 99.824 8.437 -12.558 1.00 0.00 N ATOM 403 CA LEU A 25 100.345 7.237 -13.279 1.00 0.00 C ATOM 404 C LEU A 25 99.934 5.950 -12.555 1.00 0.00 C ATOM 405 O LEU A 25 99.352 5.057 -13.140 1.00 0.00 O ATOM 406 CB LEU A 25 101.867 7.395 -13.268 1.00 0.00 C ATOM 407 CG LEU A 25 102.354 7.771 -14.668 1.00 0.00 C ATOM 408 CD1 LEU A 25 103.835 8.152 -14.610 1.00 0.00 C ATOM 409 CD2 LEU A 25 102.173 6.576 -15.608 1.00 0.00 C ATOM 0 H LEU A 25 100.526 9.137 -12.320 1.00 0.00 H new ATOM 0 HA LEU A 25 99.948 7.167 -14.292 1.00 0.00 H new ATOM 0 HB2 LEU A 25 102.158 8.164 -12.552 1.00 0.00 H new ATOM 0 HB3 LEU A 25 102.337 6.466 -12.946 1.00 0.00 H new ATOM 0 HG LEU A 25 101.776 8.618 -15.038 1.00 0.00 H new ATOM 0 HD11 LEU A 25 104.181 8.420 -15.608 1.00 0.00 H new ATOM 0 HD12 LEU A 25 103.966 9.002 -13.940 1.00 0.00 H new ATOM 0 HD13 LEU A 25 104.414 7.306 -14.240 1.00 0.00 H new ATOM 0 HD21 LEU A 25 102.520 6.843 -16.606 1.00 0.00 H new ATOM 0 HD22 LEU A 25 102.752 5.730 -15.237 1.00 0.00 H new ATOM 0 HD23 LEU A 25 101.119 6.303 -15.651 1.00 0.00 H new ATOM 421 N LEU A 26 100.234 5.847 -11.287 1.00 0.00 N ATOM 422 CA LEU A 26 99.864 4.615 -10.527 1.00 0.00 C ATOM 423 C LEU A 26 98.357 4.363 -10.620 1.00 0.00 C ATOM 424 O LEU A 26 97.920 3.337 -11.104 1.00 0.00 O ATOM 425 CB LEU A 26 100.268 4.901 -9.080 1.00 0.00 C ATOM 426 CG LEU A 26 101.679 4.370 -8.831 1.00 0.00 C ATOM 427 CD1 LEU A 26 102.207 4.927 -7.507 1.00 0.00 C ATOM 428 CD2 LEU A 26 101.643 2.842 -8.764 1.00 0.00 C ATOM 0 H LEU A 26 100.719 6.562 -10.744 1.00 0.00 H new ATOM 0 HA LEU A 26 100.359 3.728 -10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 26 100.232 5.973 -8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 26 99.564 4.429 -8.395 1.00 0.00 H new ATOM 0 HG LEU A 26 102.335 4.683 -9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 26 103.214 4.549 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 26 102.232 6.016 -7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 26 101.552 4.614 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 26 102.649 2.462 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 26 100.988 2.529 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 26 101.266 2.445 -9.707 1.00 0.00 H new ATOM 440 N GLU A 27 97.561 5.291 -10.161 1.00 0.00 N ATOM 441 CA GLU A 27 96.081 5.104 -10.222 1.00 0.00 C ATOM 442 C GLU A 27 95.625 4.949 -11.677 1.00 0.00 C ATOM 443 O GLU A 27 94.591 4.373 -11.953 1.00 0.00 O ATOM 444 CB GLU A 27 95.493 6.373 -9.605 1.00 0.00 C ATOM 445 CG GLU A 27 94.288 6.005 -8.737 1.00 0.00 C ATOM 446 CD GLU A 27 93.129 5.566 -9.633 1.00 0.00 C ATOM 447 OE1 GLU A 27 92.902 6.221 -10.638 1.00 0.00 O ATOM 448 OE2 GLU A 27 92.486 4.584 -9.300 1.00 0.00 O ATOM 0 H GLU A 27 97.870 6.170 -9.747 1.00 0.00 H new ATOM 0 HA GLU A 27 95.757 4.208 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 27 96.247 6.881 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 27 95.191 7.066 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 27 94.554 5.203 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 27 93.989 6.860 -8.130 1.00 0.00 H new ATOM 455 N ALA A 28 96.388 5.459 -12.609 1.00 0.00 N ATOM 456 CA ALA A 28 95.996 5.338 -14.044 1.00 0.00 C ATOM 457 C ALA A 28 96.231 3.907 -14.536 1.00 0.00 C ATOM 458 O ALA A 28 95.303 3.200 -14.877 1.00 0.00 O ATOM 459 CB ALA A 28 96.904 6.318 -14.790 1.00 0.00 C ATOM 0 H ALA A 28 97.264 5.953 -12.438 1.00 0.00 H new ATOM 0 HA ALA A 28 94.941 5.561 -14.204 1.00 0.00 H new ATOM 0 HB1 ALA A 28 96.676 6.287 -15.855 1.00 0.00 H new ATOM 0 HB2 ALA A 28 96.738 7.327 -14.413 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.946 6.039 -14.634 1.00 0.00 H new ATOM 465 N GLY A 29 97.464 3.477 -14.573 1.00 0.00 N ATOM 466 CA GLY A 29 97.761 2.102 -15.038 1.00 0.00 C ATOM 467 C GLY A 29 99.273 1.866 -15.023 1.00 0.00 C ATOM 468 O GLY A 29 99.843 1.387 -15.984 1.00 0.00 O ATOM 0 H GLY A 29 98.279 4.026 -14.299 1.00 0.00 H new ATOM 0 HA2 GLY A 29 97.264 1.375 -14.395 1.00 0.00 H new ATOM 0 HA3 GLY A 29 97.371 1.956 -16.045 1.00 0.00 H new ATOM 472 N ALA A 30 99.926 2.196 -13.940 1.00 0.00 N ATOM 473 CA ALA A 30 101.402 1.989 -13.864 1.00 0.00 C ATOM 474 C ALA A 30 101.713 0.583 -13.345 1.00 0.00 C ATOM 475 O ALA A 30 100.832 -0.143 -12.927 1.00 0.00 O ATOM 476 CB ALA A 30 101.902 3.046 -12.880 1.00 0.00 C ATOM 0 H ALA A 30 99.501 2.600 -13.105 1.00 0.00 H new ATOM 0 HA ALA A 30 101.882 2.081 -14.838 1.00 0.00 H new ATOM 0 HB1 ALA A 30 102.983 2.958 -12.770 1.00 0.00 H new ATOM 0 HB2 ALA A 30 101.655 4.039 -13.256 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.425 2.896 -11.911 1.00 0.00 H new ATOM 482 N ASP A 31 102.960 0.195 -13.369 1.00 0.00 N ATOM 483 CA ASP A 31 103.332 -1.163 -12.877 1.00 0.00 C ATOM 484 C ASP A 31 104.134 -1.054 -11.573 1.00 0.00 C ATOM 485 O ASP A 31 105.306 -0.737 -11.597 1.00 0.00 O ATOM 486 CB ASP A 31 104.198 -1.759 -13.988 1.00 0.00 C ATOM 487 CG ASP A 31 104.082 -3.284 -13.964 1.00 0.00 C ATOM 488 OD1 ASP A 31 104.001 -3.836 -12.879 1.00 0.00 O ATOM 489 OD2 ASP A 31 104.078 -3.875 -15.031 1.00 0.00 O ATOM 0 H ASP A 31 103.738 0.761 -13.709 1.00 0.00 H new ATOM 0 HA ASP A 31 102.459 -1.779 -12.662 1.00 0.00 H new ATOM 0 HB2 ASP A 31 103.880 -1.375 -14.957 1.00 0.00 H new ATOM 0 HB3 ASP A 31 105.238 -1.461 -13.853 1.00 0.00 H new ATOM 494 N PRO A 32 103.476 -1.321 -10.471 1.00 0.00 N ATOM 495 CA PRO A 32 104.150 -1.249 -9.152 1.00 0.00 C ATOM 496 C PRO A 32 105.139 -2.410 -8.986 1.00 0.00 C ATOM 497 O PRO A 32 105.984 -2.394 -8.112 1.00 0.00 O ATOM 498 CB PRO A 32 103.002 -1.364 -8.153 1.00 0.00 C ATOM 499 CG PRO A 32 101.918 -2.079 -8.893 1.00 0.00 C ATOM 500 CD PRO A 32 102.064 -1.713 -10.347 1.00 0.00 C ATOM 0 HA PRO A 32 104.732 -0.337 -9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 32 103.305 -1.918 -7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 32 102.670 -0.381 -7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 32 102.003 -3.157 -8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 32 100.937 -1.787 -8.518 1.00 0.00 H new ATOM 0 HD2 PRO A 32 101.824 -2.554 -10.997 1.00 0.00 H new ATOM 0 HD3 PRO A 32 101.397 -0.897 -10.623 1.00 0.00 H new ATOM 508 N ASN A 33 105.041 -3.415 -9.816 1.00 0.00 N ATOM 509 CA ASN A 33 105.976 -4.573 -9.704 1.00 0.00 C ATOM 510 C ASN A 33 106.956 -4.576 -10.881 1.00 0.00 C ATOM 511 O ASN A 33 107.456 -5.611 -11.279 1.00 0.00 O ATOM 512 CB ASN A 33 105.081 -5.813 -9.751 1.00 0.00 C ATOM 513 CG ASN A 33 104.094 -5.780 -8.583 1.00 0.00 C ATOM 514 OD1 ASN A 33 102.916 -6.021 -8.760 1.00 0.00 O ATOM 515 ND2 ASN A 33 104.526 -5.490 -7.386 1.00 0.00 N ATOM 0 H ASN A 33 104.354 -3.484 -10.567 1.00 0.00 H new ATOM 0 HA ASN A 33 106.572 -4.535 -8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 33 104.540 -5.847 -10.696 1.00 0.00 H new ATOM 0 HB3 ASN A 33 105.690 -6.715 -9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 33 103.875 -5.466 -6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 33 105.514 -5.288 -7.236 1.00 0.00 H new ATOM 522 N ALA A 34 107.228 -3.429 -11.444 1.00 0.00 N ATOM 523 CA ALA A 34 108.172 -3.367 -12.598 1.00 0.00 C ATOM 524 C ALA A 34 109.584 -3.021 -12.115 1.00 0.00 C ATOM 525 O ALA A 34 109.885 -1.881 -11.819 1.00 0.00 O ATOM 526 CB ALA A 34 107.626 -2.256 -13.495 1.00 0.00 C ATOM 0 H ALA A 34 106.837 -2.532 -11.155 1.00 0.00 H new ATOM 0 HA ALA A 34 108.243 -4.320 -13.123 1.00 0.00 H new ATOM 0 HB1 ALA A 34 108.267 -2.147 -14.370 1.00 0.00 H new ATOM 0 HB2 ALA A 34 106.615 -2.510 -13.815 1.00 0.00 H new ATOM 0 HB3 ALA A 34 107.606 -1.318 -12.941 1.00 0.00 H new ATOM 532 N LEU A 35 110.451 -3.995 -12.037 1.00 0.00 N ATOM 533 CA LEU A 35 111.844 -3.720 -11.574 1.00 0.00 C ATOM 534 C LEU A 35 112.567 -2.826 -12.585 1.00 0.00 C ATOM 535 O LEU A 35 112.686 -3.160 -13.748 1.00 0.00 O ATOM 536 CB LEU A 35 112.527 -5.089 -11.499 1.00 0.00 C ATOM 537 CG LEU A 35 112.094 -5.825 -10.228 1.00 0.00 C ATOM 538 CD1 LEU A 35 112.804 -7.178 -10.159 1.00 0.00 C ATOM 539 CD2 LEU A 35 112.469 -4.997 -8.996 1.00 0.00 C ATOM 0 H LEU A 35 110.256 -4.968 -12.273 1.00 0.00 H new ATOM 0 HA LEU A 35 111.859 -3.205 -10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 35 112.269 -5.681 -12.377 1.00 0.00 H new ATOM 0 HB3 LEU A 35 113.610 -4.965 -11.505 1.00 0.00 H new ATOM 0 HG LEU A 35 111.014 -5.974 -10.249 1.00 0.00 H new ATOM 0 HD11 LEU A 35 112.497 -7.704 -9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 35 112.539 -7.773 -11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 35 113.883 -7.022 -10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 35 112.159 -5.525 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 35 113.548 -4.845 -8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 35 111.967 -4.030 -9.041 1.00 0.00 H new ATOM 551 N ASN A 36 113.057 -1.698 -12.148 1.00 0.00 N ATOM 552 CA ASN A 36 113.780 -0.787 -13.085 1.00 0.00 C ATOM 553 C ASN A 36 115.029 -1.485 -13.630 1.00 0.00 C ATOM 554 O ASN A 36 115.357 -2.587 -13.233 1.00 0.00 O ATOM 555 CB ASN A 36 114.170 0.429 -12.243 1.00 0.00 C ATOM 556 CG ASN A 36 112.908 1.098 -11.695 1.00 0.00 C ATOM 557 OD1 ASN A 36 112.133 1.662 -12.441 1.00 0.00 O ATOM 558 ND2 ASN A 36 112.667 1.061 -10.413 1.00 0.00 N ATOM 0 H ASN A 36 112.989 -1.367 -11.186 1.00 0.00 H new ATOM 0 HA ASN A 36 113.168 -0.505 -13.942 1.00 0.00 H new ATOM 0 HB2 ASN A 36 114.818 0.123 -11.422 1.00 0.00 H new ATOM 0 HB3 ASN A 36 114.736 1.137 -12.848 1.00 0.00 H new ATOM 0 HD21 ASN A 36 111.829 1.505 -10.039 1.00 0.00 H new ATOM 0 HD22 ASN A 36 113.317 0.588 -9.785 1.00 0.00 H new ATOM 565 N ARG A 37 115.728 -0.854 -14.533 1.00 0.00 N ATOM 566 CA ARG A 37 116.959 -1.483 -15.099 1.00 0.00 C ATOM 567 C ARG A 37 118.100 -1.443 -14.076 1.00 0.00 C ATOM 568 O ARG A 37 119.158 -2.001 -14.296 1.00 0.00 O ATOM 569 CB ARG A 37 117.309 -0.641 -16.330 1.00 0.00 C ATOM 570 CG ARG A 37 117.374 -1.541 -17.569 1.00 0.00 C ATOM 571 CD ARG A 37 118.637 -1.217 -18.371 1.00 0.00 C ATOM 572 NE ARG A 37 118.806 -2.367 -19.303 1.00 0.00 N ATOM 573 CZ ARG A 37 118.610 -2.204 -20.584 1.00 0.00 C ATOM 574 NH1 ARG A 37 117.628 -1.452 -21.005 1.00 0.00 N ATOM 575 NH2 ARG A 37 119.397 -2.791 -21.444 1.00 0.00 N ATOM 0 H ARG A 37 115.502 0.069 -14.904 1.00 0.00 H new ATOM 0 HA ARG A 37 116.803 -2.531 -15.354 1.00 0.00 H new ATOM 0 HB2 ARG A 37 116.561 0.139 -16.474 1.00 0.00 H new ATOM 0 HB3 ARG A 37 118.266 -0.141 -16.181 1.00 0.00 H new ATOM 0 HG2 ARG A 37 117.379 -2.589 -17.270 1.00 0.00 H new ATOM 0 HG3 ARG A 37 116.489 -1.390 -18.188 1.00 0.00 H new ATOM 0 HD2 ARG A 37 118.529 -0.279 -18.916 1.00 0.00 H new ATOM 0 HD3 ARG A 37 119.503 -1.108 -17.718 1.00 0.00 H new ATOM 0 HE ARG A 37 119.075 -3.282 -18.941 1.00 0.00 H new ATOM 0 HH11 ARG A 37 117.014 -0.992 -20.333 1.00 0.00 H new ATOM 0 HH12 ARG A 37 117.476 -1.325 -22.006 1.00 0.00 H new ATOM 0 HH21 ARG A 37 120.165 -3.377 -21.116 1.00 0.00 H new ATOM 0 HH22 ARG A 37 119.244 -2.664 -22.444 1.00 0.00 H new ATOM 589 N PHE A 38 117.898 -0.789 -12.960 1.00 0.00 N ATOM 590 CA PHE A 38 118.977 -0.717 -11.928 1.00 0.00 C ATOM 591 C PHE A 38 118.803 -1.845 -10.905 1.00 0.00 C ATOM 592 O PHE A 38 119.352 -1.798 -9.821 1.00 0.00 O ATOM 593 CB PHE A 38 118.800 0.645 -11.242 1.00 0.00 C ATOM 594 CG PHE A 38 118.387 1.702 -12.267 1.00 0.00 C ATOM 595 CD1 PHE A 38 118.391 1.899 -13.664 1.00 0.00 C ATOM 596 CD2 PHE A 38 119.511 2.022 -13.093 1.00 0.00 C ATOM 597 CE1 PHE A 38 119.421 2.678 -13.141 1.00 0.00 C ATOM 598 CE2 PHE A 38 118.337 2.482 -13.688 1.00 0.00 C ATOM 599 CZ PHE A 38 118.254 2.784 -12.318 1.00 0.00 C ATOM 0 H PHE A 38 117.034 -0.303 -12.719 1.00 0.00 H new ATOM 0 HA PHE A 38 119.968 -0.824 -12.370 1.00 0.00 H new ATOM 0 HB2 PHE A 38 118.044 0.571 -10.460 1.00 0.00 H new ATOM 0 HB3 PHE A 38 119.731 0.941 -10.759 1.00 0.00 H new ATOM 0 HD1 PHE A 38 117.896 1.617 -14.582 1.00 0.00 H new ATOM 0 HD2 PHE A 38 120.584 1.952 -13.192 1.00 0.00 H new ATOM 0 HE1 PHE A 38 120.444 2.997 -13.272 1.00 0.00 H new ATOM 0 HE2 PHE A 38 117.812 2.559 -14.628 1.00 0.00 H new ATOM 0 HZ PHE A 38 117.730 2.957 -11.389 1.00 0.00 H new ATOM 609 N GLY A 39 118.041 -2.855 -11.237 1.00 0.00 N ATOM 610 CA GLY A 39 117.824 -3.979 -10.287 1.00 0.00 C ATOM 611 C GLY A 39 117.346 -3.433 -8.937 1.00 0.00 C ATOM 612 O GLY A 39 117.508 -4.064 -7.911 1.00 0.00 O ATOM 0 H GLY A 39 117.559 -2.947 -12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 39 117.086 -4.672 -10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 39 118.749 -4.540 -10.156 1.00 0.00 H new ATOM 616 N ARG A 40 116.755 -2.266 -8.933 1.00 0.00 N ATOM 617 CA ARG A 40 116.260 -1.681 -7.654 1.00 0.00 C ATOM 618 C ARG A 40 114.732 -1.683 -7.640 1.00 0.00 C ATOM 619 O ARG A 40 114.092 -1.696 -8.674 1.00 0.00 O ATOM 620 CB ARG A 40 116.794 -0.247 -7.629 1.00 0.00 C ATOM 621 CG ARG A 40 117.967 -0.152 -6.651 1.00 0.00 C ATOM 622 CD ARG A 40 118.225 1.315 -6.303 1.00 0.00 C ATOM 623 NE ARG A 40 119.135 1.280 -5.124 1.00 0.00 N ATOM 624 CZ ARG A 40 120.400 1.564 -5.267 1.00 0.00 C ATOM 625 NH1 ARG A 40 121.083 1.028 -6.243 1.00 0.00 N ATOM 626 NH2 ARG A 40 120.983 2.383 -4.435 1.00 0.00 N ATOM 0 H ARG A 40 116.594 -1.693 -9.762 1.00 0.00 H new ATOM 0 HA ARG A 40 116.593 -2.248 -6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 40 117.115 0.049 -8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 40 116.003 0.441 -7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 40 117.746 -0.718 -5.746 1.00 0.00 H new ATOM 0 HG3 ARG A 40 118.860 -0.594 -7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 40 118.683 1.844 -7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 40 117.296 1.834 -6.068 1.00 0.00 H new ATOM 0 HE ARG A 40 118.769 1.034 -4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 40 120.627 0.388 -6.893 1.00 0.00 H new ATOM 0 HH12 ARG A 40 122.072 1.250 -6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 40 120.449 2.801 -3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 40 121.972 2.605 -4.547 1.00 0.00 H new ATOM 640 N ARG A 41 114.143 -1.673 -6.477 1.00 0.00 N ATOM 641 CA ARG A 41 112.653 -1.679 -6.392 1.00 0.00 C ATOM 642 C ARG A 41 112.112 -0.300 -6.785 1.00 0.00 C ATOM 643 O ARG A 41 112.869 0.643 -6.906 1.00 0.00 O ATOM 644 CB ARG A 41 112.339 -1.992 -4.923 1.00 0.00 C ATOM 645 CG ARG A 41 113.121 -3.233 -4.468 1.00 0.00 C ATOM 646 CD ARG A 41 112.792 -4.422 -5.376 1.00 0.00 C ATOM 647 NE ARG A 41 113.819 -4.390 -6.454 1.00 0.00 N ATOM 648 CZ ARG A 41 114.889 -5.132 -6.354 1.00 0.00 C ATOM 649 NH1 ARG A 41 115.504 -5.229 -5.209 1.00 0.00 N ATOM 650 NH2 ARG A 41 115.341 -5.779 -7.394 1.00 0.00 N ATOM 0 H ARG A 41 114.628 -1.661 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 41 112.195 -2.407 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 41 112.600 -1.138 -4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 41 111.269 -2.162 -4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 41 114.191 -3.029 -4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 41 112.869 -3.473 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 41 112.831 -5.361 -4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 41 111.787 -4.336 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 41 113.687 -3.790 -7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 41 115.149 -4.726 -4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 41 116.340 -5.807 -5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 41 114.858 -5.706 -8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 41 116.177 -6.357 -7.311 1.00 0.00 H new ATOM 664 N PRO A 42 110.819 -0.217 -6.976 1.00 0.00 N ATOM 665 CA PRO A 42 110.201 1.076 -7.359 1.00 0.00 C ATOM 666 C PRO A 42 110.294 2.071 -6.197 1.00 0.00 C ATOM 667 O PRO A 42 110.117 3.261 -6.374 1.00 0.00 O ATOM 668 CB PRO A 42 108.753 0.706 -7.671 1.00 0.00 C ATOM 669 CG PRO A 42 108.506 -0.551 -6.906 1.00 0.00 C ATOM 670 CD PRO A 42 109.820 -1.286 -6.850 1.00 0.00 C ATOM 0 HA PRO A 42 110.691 1.560 -8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 42 108.068 1.497 -7.364 1.00 0.00 H new ATOM 0 HB3 PRO A 42 108.605 0.554 -8.740 1.00 0.00 H new ATOM 0 HG2 PRO A 42 108.143 -0.329 -5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 42 107.743 -1.158 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 42 109.934 -1.833 -5.914 1.00 0.00 H new ATOM 0 HD3 PRO A 42 109.907 -2.013 -7.657 1.00 0.00 H new ATOM 678 N ILE A 43 110.588 1.596 -5.016 1.00 0.00 N ATOM 679 CA ILE A 43 110.712 2.516 -3.852 1.00 0.00 C ATOM 680 C ILE A 43 112.185 2.652 -3.450 1.00 0.00 C ATOM 681 O ILE A 43 112.565 3.572 -2.757 1.00 0.00 O ATOM 682 CB ILE A 43 109.905 1.862 -2.729 1.00 0.00 C ATOM 683 CG1 ILE A 43 108.430 1.805 -3.133 1.00 0.00 C ATOM 684 CG2 ILE A 43 110.051 2.686 -1.445 1.00 0.00 C ATOM 685 CD1 ILE A 43 107.614 1.183 -1.998 1.00 0.00 C ATOM 0 H ILE A 43 110.747 0.610 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 43 110.345 3.518 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 43 110.276 0.852 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 43 108.063 2.808 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 43 108.314 1.217 -4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 43 109.476 2.219 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 43 111.102 2.730 -1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 43 109.680 3.696 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 43 106.563 1.142 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 43 107.976 0.174 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 43 107.721 1.789 -1.098 1.00 0.00 H new ATOM 697 N GLN A 44 113.016 1.741 -3.880 1.00 0.00 N ATOM 698 CA GLN A 44 114.461 1.826 -3.523 1.00 0.00 C ATOM 699 C GLN A 44 115.111 3.015 -4.235 1.00 0.00 C ATOM 700 O GLN A 44 116.145 3.505 -3.826 1.00 0.00 O ATOM 701 CB GLN A 44 115.069 0.509 -4.010 1.00 0.00 C ATOM 702 CG GLN A 44 114.913 -0.558 -2.922 1.00 0.00 C ATOM 703 CD GLN A 44 116.283 -1.150 -2.583 1.00 0.00 C ATOM 704 OE1 GLN A 44 117.182 -0.439 -2.180 1.00 0.00 O ATOM 705 NE2 GLN A 44 116.480 -2.431 -2.731 1.00 0.00 N ATOM 0 H GLN A 44 112.758 0.944 -4.461 1.00 0.00 H new ATOM 0 HA GLN A 44 114.615 1.973 -2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 44 114.575 0.185 -4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 44 116.123 0.649 -4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 44 114.464 -0.120 -2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 44 114.240 -1.345 -3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 44 115.725 -3.027 -3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 44 117.389 -2.836 -2.508 1.00 0.00 H new ATOM 714 N VAL A 45 114.511 3.482 -5.298 1.00 0.00 N ATOM 715 CA VAL A 45 115.090 4.639 -6.041 1.00 0.00 C ATOM 716 C VAL A 45 114.221 5.890 -5.845 1.00 0.00 C ATOM 717 O VAL A 45 114.653 6.998 -6.097 1.00 0.00 O ATOM 718 CB VAL A 45 115.100 4.201 -7.510 1.00 0.00 C ATOM 719 CG1 VAL A 45 113.673 3.900 -7.974 1.00 0.00 C ATOM 720 CG2 VAL A 45 115.691 5.316 -8.375 1.00 0.00 C ATOM 0 H VAL A 45 113.643 3.111 -5.684 1.00 0.00 H new ATOM 0 HA VAL A 45 116.089 4.899 -5.690 1.00 0.00 H new ATOM 0 HB VAL A 45 115.708 3.302 -7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 45 113.688 3.589 -9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 45 113.253 3.100 -7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 45 113.060 4.795 -7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 45 115.697 5.002 -9.419 1.00 0.00 H new ATOM 0 HG22 VAL A 45 115.086 6.217 -8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 45 116.711 5.524 -8.053 1.00 0.00 H new ATOM 730 N MET A 46 113.002 5.723 -5.399 1.00 0.00 N ATOM 731 CA MET A 46 112.112 6.908 -5.191 1.00 0.00 C ATOM 732 C MET A 46 112.780 7.916 -4.252 1.00 0.00 C ATOM 733 O MET A 46 113.727 7.597 -3.558 1.00 0.00 O ATOM 734 CB MET A 46 110.838 6.346 -4.550 1.00 0.00 C ATOM 735 CG MET A 46 111.144 5.845 -3.132 1.00 0.00 C ATOM 736 SD MET A 46 110.561 7.050 -1.913 1.00 0.00 S ATOM 737 CE MET A 46 110.448 5.913 -0.507 1.00 0.00 C ATOM 0 H MET A 46 112.584 4.821 -5.170 1.00 0.00 H new ATOM 0 HA MET A 46 111.903 7.431 -6.124 1.00 0.00 H new ATOM 0 HB2 MET A 46 110.068 7.117 -4.515 1.00 0.00 H new ATOM 0 HB3 MET A 46 110.445 5.530 -5.156 1.00 0.00 H new ATOM 0 HG2 MET A 46 110.660 4.883 -2.965 1.00 0.00 H new ATOM 0 HG3 MET A 46 112.216 5.687 -3.016 1.00 0.00 H new ATOM 0 HE1 MET A 46 110.381 6.485 0.419 1.00 0.00 H new ATOM 0 HE2 MET A 46 109.560 5.289 -0.614 1.00 0.00 H new ATOM 0 HE3 MET A 46 111.335 5.280 -0.479 1.00 0.00 H new ATOM 747 N MET A 47 112.286 9.124 -4.213 1.00 0.00 N ATOM 748 CA MET A 47 112.885 10.142 -3.304 1.00 0.00 C ATOM 749 C MET A 47 112.714 9.684 -1.855 1.00 0.00 C ATOM 750 O MET A 47 111.731 9.988 -1.207 1.00 0.00 O ATOM 751 CB MET A 47 112.100 11.430 -3.564 1.00 0.00 C ATOM 752 CG MET A 47 113.058 12.625 -3.554 1.00 0.00 C ATOM 753 SD MET A 47 112.904 13.515 -1.985 1.00 0.00 S ATOM 754 CE MET A 47 111.580 14.640 -2.491 1.00 0.00 C ATOM 0 H MET A 47 111.496 9.449 -4.770 1.00 0.00 H new ATOM 0 HA MET A 47 113.951 10.288 -3.478 1.00 0.00 H new ATOM 0 HB2 MET A 47 111.589 11.369 -4.525 1.00 0.00 H new ATOM 0 HB3 MET A 47 111.332 11.560 -2.802 1.00 0.00 H new ATOM 0 HG2 MET A 47 114.084 12.283 -3.690 1.00 0.00 H new ATOM 0 HG3 MET A 47 112.832 13.292 -4.386 1.00 0.00 H new ATOM 0 HE1 MET A 47 111.235 15.208 -1.627 1.00 0.00 H new ATOM 0 HE2 MET A 47 111.956 15.326 -3.250 1.00 0.00 H new ATOM 0 HE3 MET A 47 110.750 14.064 -2.901 1.00 0.00 H new ATOM 764 N MET A 48 113.661 8.941 -1.349 1.00 0.00 N ATOM 765 CA MET A 48 113.565 8.433 0.055 1.00 0.00 C ATOM 766 C MET A 48 113.227 9.566 1.036 1.00 0.00 C ATOM 767 O MET A 48 112.760 9.324 2.131 1.00 0.00 O ATOM 768 CB MET A 48 114.949 7.853 0.359 1.00 0.00 C ATOM 769 CG MET A 48 114.853 6.332 0.508 1.00 0.00 C ATOM 770 SD MET A 48 114.345 5.585 -1.063 1.00 0.00 S ATOM 771 CE MET A 48 113.878 3.962 -0.403 1.00 0.00 C ATOM 0 H MET A 48 114.504 8.661 -1.850 1.00 0.00 H new ATOM 0 HA MET A 48 112.772 7.693 0.162 1.00 0.00 H new ATOM 0 HB2 MET A 48 115.643 8.106 -0.442 1.00 0.00 H new ATOM 0 HB3 MET A 48 115.345 8.293 1.274 1.00 0.00 H new ATOM 0 HG2 MET A 48 115.817 5.927 0.818 1.00 0.00 H new ATOM 0 HG3 MET A 48 114.136 6.080 1.289 1.00 0.00 H new ATOM 0 HE1 MET A 48 114.436 3.183 -0.923 1.00 0.00 H new ATOM 0 HE2 MET A 48 114.107 3.923 0.662 1.00 0.00 H new ATOM 0 HE3 MET A 48 112.810 3.803 -0.550 1.00 0.00 H new ATOM 781 N GLY A 49 113.457 10.798 0.658 1.00 0.00 N ATOM 782 CA GLY A 49 113.146 11.932 1.578 1.00 0.00 C ATOM 783 C GLY A 49 111.681 12.363 1.418 1.00 0.00 C ATOM 784 O GLY A 49 111.311 13.463 1.777 1.00 0.00 O ATOM 0 H GLY A 49 113.846 11.066 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.334 11.634 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.805 12.774 1.364 1.00 0.00 H new ATOM 788 N SER A 50 110.842 11.509 0.887 1.00 0.00 N ATOM 789 CA SER A 50 109.408 11.883 0.713 1.00 0.00 C ATOM 790 C SER A 50 108.502 10.688 1.033 1.00 0.00 C ATOM 791 O SER A 50 108.566 9.660 0.390 1.00 0.00 O ATOM 792 CB SER A 50 109.278 12.275 -0.758 1.00 0.00 C ATOM 793 OG SER A 50 107.989 12.833 -0.984 1.00 0.00 O ATOM 0 H SER A 50 111.089 10.572 0.568 1.00 0.00 H new ATOM 0 HA SER A 50 109.110 12.692 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 50 110.051 12.996 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 50 109.425 11.402 -1.393 1.00 0.00 H new ATOM 0 HG SER A 50 107.903 13.087 -1.927 1.00 0.00 H new ATOM 799 N ALA A 51 107.655 10.818 2.021 1.00 0.00 N ATOM 800 CA ALA A 51 106.743 9.690 2.371 1.00 0.00 C ATOM 801 C ALA A 51 105.625 9.590 1.330 1.00 0.00 C ATOM 802 O ALA A 51 105.065 8.535 1.104 1.00 0.00 O ATOM 803 CB ALA A 51 106.170 10.045 3.744 1.00 0.00 C ATOM 0 H ALA A 51 107.556 11.653 2.598 1.00 0.00 H new ATOM 0 HA ALA A 51 107.257 8.729 2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 51 105.488 9.259 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 51 106.983 10.140 4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 51 105.630 10.990 3.680 1.00 0.00 H new ATOM 809 N GLN A 52 105.305 10.684 0.691 1.00 0.00 N ATOM 810 CA GLN A 52 104.228 10.671 -0.345 1.00 0.00 C ATOM 811 C GLN A 52 104.500 9.588 -1.393 1.00 0.00 C ATOM 812 O GLN A 52 103.592 9.067 -2.011 1.00 0.00 O ATOM 813 CB GLN A 52 104.290 12.051 -0.994 1.00 0.00 C ATOM 814 CG GLN A 52 103.604 13.078 -0.098 1.00 0.00 C ATOM 815 CD GLN A 52 103.102 14.253 -0.939 1.00 0.00 C ATOM 816 OE1 GLN A 52 103.960 14.992 -1.585 1.00 0.00 O flip ATOM 817 NE2 GLN A 52 101.914 14.501 -1.009 1.00 0.00 N flip ATOM 0 H GLN A 52 105.745 11.592 0.842 1.00 0.00 H new ATOM 0 HA GLN A 52 103.251 10.457 0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 52 105.328 12.337 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 52 103.805 12.026 -1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 52 102.770 12.614 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 52 104.301 13.434 0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 52 101.242 13.923 -0.504 1.00 0.00 H new ATOM 0 HE22 GLN A 52 101.589 15.287 -1.573 1.00 0.00 H new ATOM 826 N VAL A 53 105.743 9.250 -1.597 1.00 0.00 N ATOM 827 CA VAL A 53 106.075 8.206 -2.615 1.00 0.00 C ATOM 828 C VAL A 53 106.082 6.818 -1.966 1.00 0.00 C ATOM 829 O VAL A 53 105.492 5.885 -2.474 1.00 0.00 O ATOM 830 CB VAL A 53 107.476 8.543 -3.168 1.00 0.00 C ATOM 831 CG1 VAL A 53 107.440 8.508 -4.694 1.00 0.00 C ATOM 832 CG2 VAL A 53 107.933 9.939 -2.729 1.00 0.00 C ATOM 0 H VAL A 53 106.543 9.648 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 53 105.335 8.195 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 53 108.175 7.804 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 53 108.429 8.746 -5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 53 107.146 7.513 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 53 106.719 9.240 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.923 10.143 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 53 107.229 10.685 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.972 9.983 -1.641 1.00 0.00 H new ATOM 842 N ALA A 54 106.744 6.675 -0.849 1.00 0.00 N ATOM 843 CA ALA A 54 106.791 5.345 -0.169 1.00 0.00 C ATOM 844 C ALA A 54 105.371 4.826 0.087 1.00 0.00 C ATOM 845 O ALA A 54 105.113 3.640 0.021 1.00 0.00 O ATOM 846 CB ALA A 54 107.513 5.599 1.155 1.00 0.00 C ATOM 0 H ALA A 54 107.255 7.421 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 54 107.299 4.594 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 54 107.587 4.666 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 54 108.513 5.983 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 54 106.954 6.329 1.740 1.00 0.00 H new ATOM 852 N GLU A 55 104.451 5.707 0.380 1.00 0.00 N ATOM 853 CA GLU A 55 103.049 5.268 0.646 1.00 0.00 C ATOM 854 C GLU A 55 102.321 4.965 -0.665 1.00 0.00 C ATOM 855 O GLU A 55 101.682 3.940 -0.806 1.00 0.00 O ATOM 856 CB GLU A 55 102.392 6.450 1.359 1.00 0.00 C ATOM 857 CG GLU A 55 101.045 6.010 1.936 1.00 0.00 C ATOM 858 CD GLU A 55 101.280 5.165 3.188 1.00 0.00 C ATOM 859 OE1 GLU A 55 101.634 5.735 4.206 1.00 0.00 O ATOM 860 OE2 GLU A 55 101.103 3.960 3.108 1.00 0.00 O ATOM 0 H GLU A 55 104.610 6.712 0.447 1.00 0.00 H new ATOM 0 HA GLU A 55 103.014 4.356 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 55 103.040 6.814 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 55 102.249 7.276 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 55 100.440 6.883 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 55 100.490 5.435 1.195 1.00 0.00 H new ATOM 867 N LEU A 56 102.402 5.850 -1.624 1.00 0.00 N ATOM 868 CA LEU A 56 101.703 5.611 -2.925 1.00 0.00 C ATOM 869 C LEU A 56 102.084 4.245 -3.503 1.00 0.00 C ATOM 870 O LEU A 56 101.260 3.361 -3.624 1.00 0.00 O ATOM 871 CB LEU A 56 102.190 6.728 -3.853 1.00 0.00 C ATOM 872 CG LEU A 56 101.037 7.229 -4.732 1.00 0.00 C ATOM 873 CD1 LEU A 56 101.609 8.012 -5.916 1.00 0.00 C ATOM 874 CD2 LEU A 56 100.219 6.042 -5.260 1.00 0.00 C ATOM 0 H LEU A 56 102.920 6.726 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 56 100.620 5.614 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 56 102.591 7.552 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 56 103.002 6.361 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 56 100.389 7.872 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 56 100.793 8.370 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 56 102.183 8.862 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 56 102.259 7.362 -6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 56 99.404 6.410 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 56 100.862 5.391 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 56 99.809 5.480 -4.420 1.00 0.00 H new ATOM 886 N LEU A 57 103.327 4.073 -3.867 1.00 0.00 N ATOM 887 CA LEU A 57 103.771 2.771 -4.449 1.00 0.00 C ATOM 888 C LEU A 57 103.342 1.601 -3.557 1.00 0.00 C ATOM 889 O LEU A 57 102.811 0.614 -4.028 1.00 0.00 O ATOM 890 CB LEU A 57 105.296 2.866 -4.513 1.00 0.00 C ATOM 891 CG LEU A 57 105.697 3.929 -5.542 1.00 0.00 C ATOM 892 CD1 LEU A 57 106.548 5.010 -4.865 1.00 0.00 C ATOM 893 CD2 LEU A 57 106.507 3.274 -6.664 1.00 0.00 C ATOM 0 H LEU A 57 104.057 4.781 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 57 103.328 2.592 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 57 105.697 3.124 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 57 105.720 1.900 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 57 104.798 4.384 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 57 106.831 5.764 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 57 105.973 5.479 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 57 107.446 4.557 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 57 106.792 4.030 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 57 107.404 2.817 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 57 105.902 2.508 -7.150 1.00 0.00 H new ATOM 905 N LEU A 58 103.566 1.702 -2.272 1.00 0.00 N ATOM 906 CA LEU A 58 103.169 0.590 -1.357 1.00 0.00 C ATOM 907 C LEU A 58 101.681 0.271 -1.525 1.00 0.00 C ATOM 908 O LEU A 58 101.284 -0.876 -1.584 1.00 0.00 O ATOM 909 CB LEU A 58 103.447 1.110 0.054 1.00 0.00 C ATOM 910 CG LEU A 58 103.242 -0.023 1.065 1.00 0.00 C ATOM 911 CD1 LEU A 58 104.599 -0.492 1.595 1.00 0.00 C ATOM 912 CD2 LEU A 58 102.385 0.479 2.232 1.00 0.00 C ATOM 0 H LEU A 58 104.005 2.503 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 58 103.718 -0.328 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 58 104.467 1.490 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.782 1.942 0.284 1.00 0.00 H new ATOM 0 HG LEU A 58 102.737 -0.855 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.450 -1.298 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.208 -0.853 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 58 105.106 0.340 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 58 102.240 -0.328 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.888 1.314 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.416 0.809 1.857 1.00 0.00 H new ATOM 924 N LEU A 59 100.854 1.281 -1.606 1.00 0.00 N ATOM 925 CA LEU A 59 99.391 1.039 -1.774 1.00 0.00 C ATOM 926 C LEU A 59 99.131 0.267 -3.073 1.00 0.00 C ATOM 927 O LEU A 59 98.143 -0.429 -3.203 1.00 0.00 O ATOM 928 CB LEU A 59 98.761 2.431 -1.839 1.00 0.00 C ATOM 929 CG LEU A 59 97.245 2.304 -1.997 1.00 0.00 C ATOM 930 CD1 LEU A 59 96.649 1.688 -0.730 1.00 0.00 C ATOM 931 CD2 LEU A 59 96.640 3.691 -2.222 1.00 0.00 C ATOM 0 H LEU A 59 101.129 2.262 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 59 98.974 0.444 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 59 98.996 2.990 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 59 99.178 2.991 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 59 97.021 1.665 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 59 95.569 1.598 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 59 97.081 0.700 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 59 96.872 2.326 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 59 95.559 3.603 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 59 96.865 4.329 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 59 97.064 4.131 -3.124 1.00 0.00 H new ATOM 943 N HIS A 60 100.012 0.384 -4.032 1.00 0.00 N ATOM 944 CA HIS A 60 99.820 -0.346 -5.318 1.00 0.00 C ATOM 945 C HIS A 60 100.600 -1.662 -5.300 1.00 0.00 C ATOM 946 O HIS A 60 100.957 -2.197 -6.331 1.00 0.00 O ATOM 947 CB HIS A 60 100.373 0.592 -6.393 1.00 0.00 C ATOM 948 CG HIS A 60 99.357 1.656 -6.702 1.00 0.00 C ATOM 949 ND1 HIS A 60 98.598 1.640 -7.862 1.00 0.00 N ATOM 950 CD2 HIS A 60 98.964 2.776 -6.012 1.00 0.00 C ATOM 951 CE1 HIS A 60 97.796 2.720 -7.837 1.00 0.00 C ATOM 952 NE2 HIS A 60 97.978 3.447 -6.730 1.00 0.00 N ATOM 0 H HIS A 60 100.856 0.954 -3.979 1.00 0.00 H new ATOM 0 HA HIS A 60 98.775 -0.599 -5.497 1.00 0.00 H new ATOM 0 HB2 HIS A 60 101.301 1.049 -6.049 1.00 0.00 H new ATOM 0 HB3 HIS A 60 100.611 0.028 -7.295 1.00 0.00 H new ATOM 0 HD2 HIS A 60 99.360 3.089 -5.057 1.00 0.00 H new ATOM 0 HE1 HIS A 60 97.091 2.969 -8.616 1.00 0.00 H new ATOM 0 HE2 HIS A 60 97.498 4.308 -6.468 1.00 0.00 H new ATOM 960 N GLY A 61 100.863 -2.189 -4.133 1.00 0.00 N ATOM 961 CA GLY A 61 101.612 -3.470 -4.039 1.00 0.00 C ATOM 962 C GLY A 61 102.989 -3.321 -4.690 1.00 0.00 C ATOM 963 O GLY A 61 103.360 -4.087 -5.557 1.00 0.00 O ATOM 0 H GLY A 61 100.589 -1.783 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.724 -3.759 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 61 101.052 -4.265 -4.531 1.00 0.00 H new ATOM 967 N ALA A 62 103.753 -2.348 -4.270 1.00 0.00 N ATOM 968 CA ALA A 62 105.111 -2.160 -4.859 1.00 0.00 C ATOM 969 C ALA A 62 106.021 -3.315 -4.424 1.00 0.00 C ATOM 970 O ALA A 62 105.574 -4.433 -4.262 1.00 0.00 O ATOM 971 CB ALA A 62 105.607 -0.826 -4.294 1.00 0.00 C ATOM 0 H ALA A 62 103.496 -1.677 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 62 105.103 -2.152 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 62 106.604 -0.615 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 62 104.926 -0.029 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 62 105.645 -0.883 -3.206 1.00 0.00 H new ATOM 977 N GLU A 63 107.289 -3.061 -4.226 1.00 0.00 N ATOM 978 CA GLU A 63 108.206 -4.155 -3.794 1.00 0.00 C ATOM 979 C GLU A 63 108.982 -3.727 -2.542 1.00 0.00 C ATOM 980 O GLU A 63 110.172 -3.487 -2.601 1.00 0.00 O ATOM 981 CB GLU A 63 109.155 -4.375 -4.976 1.00 0.00 C ATOM 982 CG GLU A 63 108.891 -5.749 -5.596 1.00 0.00 C ATOM 983 CD GLU A 63 107.890 -5.608 -6.744 1.00 0.00 C ATOM 984 OE1 GLU A 63 106.911 -4.902 -6.567 1.00 0.00 O ATOM 985 OE2 GLU A 63 108.120 -6.209 -7.781 1.00 0.00 O ATOM 0 H GLU A 63 107.726 -2.147 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 63 107.669 -5.068 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 63 109.010 -3.594 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.190 -4.308 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 63 109.823 -6.179 -5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 63 108.501 -6.431 -4.841 1.00 0.00 H new ATOM 992 N PRO A 64 108.277 -3.647 -1.443 1.00 0.00 N ATOM 993 CA PRO A 64 108.907 -3.246 -0.167 1.00 0.00 C ATOM 994 C PRO A 64 109.608 -4.448 0.476 1.00 0.00 C ATOM 995 O PRO A 64 110.524 -4.298 1.260 1.00 0.00 O ATOM 996 CB PRO A 64 107.727 -2.785 0.682 1.00 0.00 C ATOM 997 CG PRO A 64 106.530 -3.499 0.131 1.00 0.00 C ATOM 998 CD PRO A 64 106.843 -3.916 -1.287 1.00 0.00 C ATOM 0 HA PRO A 64 109.668 -2.474 -0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 64 107.881 -3.031 1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 64 107.600 -1.704 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 64 106.293 -4.371 0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 64 105.656 -2.848 0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 64 106.617 -4.970 -1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 64 106.253 -3.349 -2.007 1.00 0.00 H new ATOM 1006 N ASN A 65 109.180 -5.639 0.148 1.00 0.00 N ATOM 1007 CA ASN A 65 109.815 -6.855 0.736 1.00 0.00 C ATOM 1008 C ASN A 65 110.883 -7.409 -0.211 1.00 0.00 C ATOM 1009 O ASN A 65 111.848 -8.015 0.214 1.00 0.00 O ATOM 1010 CB ASN A 65 108.670 -7.857 0.892 1.00 0.00 C ATOM 1011 CG ASN A 65 109.108 -8.996 1.815 1.00 0.00 C ATOM 1012 OD1 ASN A 65 110.139 -9.603 1.603 1.00 0.00 O ATOM 1013 ND2 ASN A 65 108.361 -9.313 2.837 1.00 0.00 N ATOM 0 H ASN A 65 108.416 -5.822 -0.503 1.00 0.00 H new ATOM 0 HA ASN A 65 110.311 -6.645 1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 65 107.791 -7.360 1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 65 108.385 -8.254 -0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 65 108.642 -10.071 3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 65 107.496 -8.803 3.014 1.00 0.00 H new ATOM 1020 N CYS A 66 110.717 -7.207 -1.491 1.00 0.00 N ATOM 1021 CA CYS A 66 111.722 -7.725 -2.467 1.00 0.00 C ATOM 1022 C CYS A 66 113.073 -7.035 -2.258 1.00 0.00 C ATOM 1023 O CYS A 66 113.141 -5.845 -2.016 1.00 0.00 O ATOM 1024 CB CYS A 66 111.154 -7.392 -3.840 1.00 0.00 C ATOM 1025 SG CYS A 66 110.578 -8.907 -4.650 1.00 0.00 S ATOM 0 H CYS A 66 109.930 -6.706 -1.904 1.00 0.00 H new ATOM 0 HA CYS A 66 111.894 -8.795 -2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 66 110.330 -6.686 -3.741 1.00 0.00 H new ATOM 0 HB3 CYS A 66 111.916 -6.909 -4.452 1.00 0.00 H new ATOM 0 HG CYS A 66 110.092 -8.616 -5.820 1.00 0.00 H new ATOM 1031 N ALA A 67 114.148 -7.773 -2.347 1.00 0.00 N ATOM 1032 CA ALA A 67 115.494 -7.159 -2.148 1.00 0.00 C ATOM 1033 C ALA A 67 116.421 -7.511 -3.313 1.00 0.00 C ATOM 1034 O ALA A 67 116.072 -8.277 -4.191 1.00 0.00 O ATOM 1035 CB ALA A 67 116.019 -7.770 -0.849 1.00 0.00 C ATOM 0 H ALA A 67 114.152 -8.773 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 67 115.444 -6.071 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 67 117.009 -7.368 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.341 -7.526 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 67 116.083 -8.853 -0.956 1.00 0.00 H new ATOM 1041 N ASP A 68 117.604 -6.959 -3.320 1.00 0.00 N ATOM 1042 CA ASP A 68 118.568 -7.258 -4.419 1.00 0.00 C ATOM 1043 C ASP A 68 119.195 -8.643 -4.200 1.00 0.00 C ATOM 1044 O ASP A 68 119.544 -8.988 -3.090 1.00 0.00 O ATOM 1045 CB ASP A 68 119.626 -6.157 -4.313 1.00 0.00 C ATOM 1046 CG ASP A 68 120.444 -6.103 -5.605 1.00 0.00 C ATOM 1047 OD1 ASP A 68 121.093 -7.088 -5.914 1.00 0.00 O ATOM 1048 OD2 ASP A 68 120.407 -5.076 -6.263 1.00 0.00 O ATOM 0 H ASP A 68 117.946 -6.312 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 68 118.098 -7.277 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 68 119.147 -5.195 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 68 120.282 -6.350 -3.464 1.00 0.00 H new ATOM 1053 N PRO A 69 119.308 -9.402 -5.263 1.00 0.00 N ATOM 1054 CA PRO A 69 119.889 -10.764 -5.163 1.00 0.00 C ATOM 1055 C PRO A 69 121.418 -10.708 -5.100 1.00 0.00 C ATOM 1056 O PRO A 69 122.055 -11.579 -4.539 1.00 0.00 O ATOM 1057 CB PRO A 69 119.433 -11.443 -6.448 1.00 0.00 C ATOM 1058 CG PRO A 69 119.199 -10.332 -7.426 1.00 0.00 C ATOM 1059 CD PRO A 69 118.910 -9.076 -6.638 1.00 0.00 C ATOM 0 HA PRO A 69 119.571 -11.290 -4.263 1.00 0.00 H new ATOM 0 HB2 PRO A 69 120.190 -12.136 -6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 69 118.523 -12.021 -6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 69 120.074 -10.192 -8.061 1.00 0.00 H new ATOM 0 HG3 PRO A 69 118.363 -10.571 -8.083 1.00 0.00 H new ATOM 0 HD2 PRO A 69 119.475 -8.227 -7.024 1.00 0.00 H new ATOM 0 HD3 PRO A 69 117.855 -8.808 -6.692 1.00 0.00 H new ATOM 1067 N ALA A 70 122.015 -9.702 -5.679 1.00 0.00 N ATOM 1068 CA ALA A 70 123.505 -9.606 -5.657 1.00 0.00 C ATOM 1069 C ALA A 70 123.999 -9.182 -4.272 1.00 0.00 C ATOM 1070 O ALA A 70 125.135 -9.425 -3.913 1.00 0.00 O ATOM 1071 CB ALA A 70 123.853 -8.540 -6.697 1.00 0.00 C ATOM 0 H ALA A 70 121.538 -8.943 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 70 123.976 -10.564 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 70 124.935 -8.412 -6.739 1.00 0.00 H new ATOM 0 HB2 ALA A 70 123.486 -8.852 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 70 123.387 -7.595 -6.419 1.00 0.00 H new ATOM 1077 N THR A 71 123.165 -8.546 -3.491 1.00 0.00 N ATOM 1078 CA THR A 71 123.611 -8.111 -2.136 1.00 0.00 C ATOM 1079 C THR A 71 122.473 -8.221 -1.119 1.00 0.00 C ATOM 1080 O THR A 71 122.521 -7.612 -0.069 1.00 0.00 O ATOM 1081 CB THR A 71 124.032 -6.651 -2.307 1.00 0.00 C ATOM 1082 OG1 THR A 71 124.742 -6.504 -3.528 1.00 0.00 O ATOM 1083 CG2 THR A 71 124.930 -6.238 -1.139 1.00 0.00 C ATOM 0 H THR A 71 122.202 -8.311 -3.731 1.00 0.00 H new ATOM 0 HA THR A 71 124.422 -8.735 -1.760 1.00 0.00 H new ATOM 0 HB THR A 71 123.146 -6.016 -2.324 1.00 0.00 H new ATOM 0 HG1 THR A 71 125.011 -5.568 -3.639 1.00 0.00 H new ATOM 0 HG21 THR A 71 125.230 -5.197 -1.261 1.00 0.00 H new ATOM 0 HG22 THR A 71 124.384 -6.351 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 71 125.817 -6.871 -1.120 1.00 0.00 H new ATOM 1091 N LEU A 72 121.460 -8.999 -1.409 1.00 0.00 N ATOM 1092 CA LEU A 72 120.324 -9.158 -0.443 1.00 0.00 C ATOM 1093 C LEU A 72 119.969 -7.816 0.208 1.00 0.00 C ATOM 1094 O LEU A 72 119.643 -7.748 1.377 1.00 0.00 O ATOM 1095 CB LEU A 72 120.853 -10.131 0.607 1.00 0.00 C ATOM 1096 CG LEU A 72 120.267 -11.518 0.363 1.00 0.00 C ATOM 1097 CD1 LEU A 72 120.915 -12.516 1.321 1.00 0.00 C ATOM 1098 CD2 LEU A 72 118.758 -11.480 0.605 1.00 0.00 C ATOM 0 H LEU A 72 121.369 -9.532 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 72 119.417 -9.515 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 72 121.941 -10.172 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 72 120.587 -9.784 1.605 1.00 0.00 H new ATOM 0 HG LEU A 72 120.461 -11.823 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 72 120.498 -13.508 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 72 121.991 -12.539 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 72 120.719 -12.213 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 72 118.337 -12.470 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 72 118.562 -11.178 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 72 118.298 -10.765 -0.077 1.00 0.00 H new ATOM 1110 N THR A 73 120.051 -6.749 -0.538 1.00 0.00 N ATOM 1111 CA THR A 73 119.743 -5.407 0.035 1.00 0.00 C ATOM 1112 C THR A 73 118.244 -5.100 -0.069 1.00 0.00 C ATOM 1113 O THR A 73 117.656 -5.167 -1.130 1.00 0.00 O ATOM 1114 CB THR A 73 120.565 -4.421 -0.805 1.00 0.00 C ATOM 1115 OG1 THR A 73 120.924 -5.022 -2.039 1.00 0.00 O ATOM 1116 CG2 THR A 73 121.834 -4.040 -0.041 1.00 0.00 C ATOM 0 H THR A 73 120.319 -6.748 -1.522 1.00 0.00 H new ATOM 0 HA THR A 73 119.992 -5.347 1.094 1.00 0.00 H new ATOM 0 HB THR A 73 119.968 -3.530 -0.998 1.00 0.00 H new ATOM 0 HG1 THR A 73 121.447 -4.387 -2.572 1.00 0.00 H new ATOM 0 HG21 THR A 73 122.420 -3.339 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 73 121.562 -3.574 0.906 1.00 0.00 H new ATOM 0 HG23 THR A 73 122.425 -4.935 0.152 1.00 0.00 H new ATOM 1124 N ARG A 74 117.627 -4.763 1.037 1.00 0.00 N ATOM 1125 CA ARG A 74 116.166 -4.448 1.024 1.00 0.00 C ATOM 1126 C ARG A 74 115.951 -2.940 0.830 1.00 0.00 C ATOM 1127 O ARG A 74 116.897 -2.176 0.843 1.00 0.00 O ATOM 1128 CB ARG A 74 115.659 -4.876 2.400 1.00 0.00 C ATOM 1129 CG ARG A 74 114.971 -6.240 2.292 1.00 0.00 C ATOM 1130 CD ARG A 74 113.752 -6.272 3.220 1.00 0.00 C ATOM 1131 NE ARG A 74 113.863 -7.560 3.960 1.00 0.00 N ATOM 1132 CZ ARG A 74 113.610 -8.687 3.353 1.00 0.00 C ATOM 1133 NH1 ARG A 74 112.557 -8.793 2.589 1.00 0.00 N ATOM 1134 NH2 ARG A 74 114.409 -9.707 3.509 1.00 0.00 N ATOM 0 H ARG A 74 118.075 -4.693 1.951 1.00 0.00 H new ATOM 0 HA ARG A 74 115.643 -4.956 0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 74 116.489 -4.931 3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 74 114.961 -4.135 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 74 114.663 -6.423 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 74 115.668 -7.033 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 74 113.754 -5.423 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 74 112.823 -6.222 2.652 1.00 0.00 H new ATOM 0 HE ARG A 74 114.137 -7.561 4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 74 111.933 -7.995 2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 74 112.358 -9.673 2.114 1.00 0.00 H new ATOM 0 HH21 ARG A 74 115.232 -9.624 4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 74 114.210 -10.588 3.034 1.00 0.00 H new ATOM 1148 N PRO A 75 114.710 -2.556 0.664 1.00 0.00 N ATOM 1149 CA PRO A 75 114.377 -1.122 0.478 1.00 0.00 C ATOM 1150 C PRO A 75 114.453 -0.379 1.817 1.00 0.00 C ATOM 1151 O PRO A 75 114.555 0.831 1.859 1.00 0.00 O ATOM 1152 CB PRO A 75 112.944 -1.152 -0.041 1.00 0.00 C ATOM 1153 CG PRO A 75 112.371 -2.440 0.460 1.00 0.00 C ATOM 1154 CD PRO A 75 113.514 -3.409 0.632 1.00 0.00 C ATOM 0 HA PRO A 75 115.060 -0.607 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 75 112.374 -0.298 0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 75 112.919 -1.107 -1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 75 111.853 -2.286 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 75 111.638 -2.833 -0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 75 113.412 -3.986 1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 75 113.557 -4.124 -0.190 1.00 0.00 H new ATOM 1162 N VAL A 76 114.407 -1.096 2.910 1.00 0.00 N ATOM 1163 CA VAL A 76 114.478 -0.429 4.245 1.00 0.00 C ATOM 1164 C VAL A 76 115.814 0.304 4.392 1.00 0.00 C ATOM 1165 O VAL A 76 115.902 1.332 5.033 1.00 0.00 O ATOM 1166 CB VAL A 76 114.373 -1.563 5.267 1.00 0.00 C ATOM 1167 CG1 VAL A 76 114.483 -0.990 6.683 1.00 0.00 C ATOM 1168 CG2 VAL A 76 113.024 -2.268 5.112 1.00 0.00 C ATOM 0 H VAL A 76 114.324 -2.112 2.936 1.00 0.00 H new ATOM 0 HA VAL A 76 113.689 0.310 4.380 1.00 0.00 H new ATOM 0 HB VAL A 76 115.180 -2.276 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 76 114.408 -1.799 7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 76 115.443 -0.487 6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 76 113.676 -0.276 6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 76 112.950 -3.076 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 76 112.218 -1.553 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 76 112.941 -2.678 4.106 1.00 0.00 H new ATOM 1178 N HIS A 77 116.855 -0.220 3.802 1.00 0.00 N ATOM 1179 CA HIS A 77 118.187 0.444 3.907 1.00 0.00 C ATOM 1180 C HIS A 77 118.122 1.849 3.302 1.00 0.00 C ATOM 1181 O HIS A 77 118.597 2.806 3.882 1.00 0.00 O ATOM 1182 CB HIS A 77 119.140 -0.447 3.107 1.00 0.00 C ATOM 1183 CG HIS A 77 119.419 -1.704 3.886 1.00 0.00 C ATOM 1184 ND1 HIS A 77 118.625 -2.835 3.777 1.00 0.00 N ATOM 1185 CD2 HIS A 77 120.401 -2.022 4.791 1.00 0.00 C ATOM 1186 CE1 HIS A 77 119.138 -3.771 4.596 1.00 0.00 C ATOM 1187 NE2 HIS A 77 120.221 -3.327 5.239 1.00 0.00 N ATOM 0 H HIS A 77 116.841 -1.079 3.252 1.00 0.00 H new ATOM 0 HA HIS A 77 118.514 0.559 4.941 1.00 0.00 H new ATOM 0 HB2 HIS A 77 118.700 -0.694 2.141 1.00 0.00 H new ATOM 0 HB3 HIS A 77 120.070 0.084 2.907 1.00 0.00 H new ATOM 0 HD1 HIS A 77 117.802 -2.939 3.184 1.00 0.00 H new ATOM 0 HD2 HIS A 77 121.193 -1.360 5.107 1.00 0.00 H new ATOM 0 HE1 HIS A 77 118.724 -4.761 4.719 1.00 0.00 H new ATOM 1195 N ASP A 78 117.535 1.981 2.142 1.00 0.00 N ATOM 1196 CA ASP A 78 117.434 3.326 1.502 1.00 0.00 C ATOM 1197 C ASP A 78 116.650 4.280 2.407 1.00 0.00 C ATOM 1198 O ASP A 78 117.138 5.327 2.795 1.00 0.00 O ATOM 1199 CB ASP A 78 116.682 3.090 0.191 1.00 0.00 C ATOM 1200 CG ASP A 78 117.589 2.343 -0.790 1.00 0.00 C ATOM 1201 OD1 ASP A 78 118.011 1.248 -0.458 1.00 0.00 O ATOM 1202 OD2 ASP A 78 117.846 2.880 -1.854 1.00 0.00 O ATOM 0 H ASP A 78 117.121 1.216 1.610 1.00 0.00 H new ATOM 0 HA ASP A 78 118.412 3.777 1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 78 115.777 2.513 0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 78 116.370 4.042 -0.238 1.00 0.00 H new ATOM 1207 N ALA A 79 115.438 3.924 2.752 1.00 0.00 N ATOM 1208 CA ALA A 79 114.621 4.805 3.640 1.00 0.00 C ATOM 1209 C ALA A 79 115.424 5.168 4.892 1.00 0.00 C ATOM 1210 O ALA A 79 115.269 6.233 5.456 1.00 0.00 O ATOM 1211 CB ALA A 79 113.393 3.970 4.006 1.00 0.00 C ATOM 0 H ALA A 79 114.980 3.062 2.457 1.00 0.00 H new ATOM 0 HA ALA A 79 114.341 5.742 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 79 112.741 4.549 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 79 112.852 3.701 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 79 113.710 3.063 4.521 1.00 0.00 H new ATOM 1217 N ALA A 80 116.293 4.290 5.316 1.00 0.00 N ATOM 1218 CA ALA A 80 117.126 4.579 6.517 1.00 0.00 C ATOM 1219 C ALA A 80 118.354 5.399 6.110 1.00 0.00 C ATOM 1220 O ALA A 80 118.937 6.104 6.909 1.00 0.00 O ATOM 1221 CB ALA A 80 117.547 3.207 7.046 1.00 0.00 C ATOM 0 H ALA A 80 116.462 3.383 4.881 1.00 0.00 H new ATOM 0 HA ALA A 80 116.589 5.155 7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 80 118.166 3.334 7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 80 116.660 2.628 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 80 118.116 2.680 6.280 1.00 0.00 H new ATOM 1227 N ARG A 81 118.745 5.311 4.864 1.00 0.00 N ATOM 1228 CA ARG A 81 119.931 6.082 4.389 1.00 0.00 C ATOM 1229 C ARG A 81 119.691 7.584 4.572 1.00 0.00 C ATOM 1230 O ARG A 81 120.597 8.334 4.877 1.00 0.00 O ATOM 1231 CB ARG A 81 120.054 5.740 2.903 1.00 0.00 C ATOM 1232 CG ARG A 81 121.530 5.682 2.509 1.00 0.00 C ATOM 1233 CD ARG A 81 122.052 7.100 2.270 1.00 0.00 C ATOM 1234 NE ARG A 81 123.317 6.919 1.507 1.00 0.00 N ATOM 1235 CZ ARG A 81 124.465 6.985 2.121 1.00 0.00 C ATOM 1236 NH1 ARG A 81 124.697 7.953 2.965 1.00 0.00 N ATOM 1237 NH2 ARG A 81 125.381 6.083 1.896 1.00 0.00 N ATOM 0 H ARG A 81 118.292 4.736 4.154 1.00 0.00 H new ATOM 0 HA ARG A 81 120.836 5.833 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 81 119.575 4.782 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 81 119.537 6.489 2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 81 122.108 5.198 3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 81 121.653 5.081 1.608 1.00 0.00 H new ATOM 0 HD2 ARG A 81 121.333 7.696 1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 81 122.229 7.620 3.212 1.00 0.00 H new ATOM 0 HE ARG A 81 123.286 6.743 0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 81 123.980 8.657 3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 81 125.595 8.006 3.446 1.00 0.00 H new ATOM 0 HH21 ARG A 81 125.199 5.325 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 81 126.279 6.137 2.377 1.00 0.00 H new ATOM 1251 N GLU A 82 118.477 8.026 4.387 1.00 0.00 N ATOM 1252 CA GLU A 82 118.176 9.479 4.549 1.00 0.00 C ATOM 1253 C GLU A 82 117.664 9.766 5.967 1.00 0.00 C ATOM 1254 O GLU A 82 117.689 10.891 6.427 1.00 0.00 O ATOM 1255 CB GLU A 82 117.091 9.775 3.512 1.00 0.00 C ATOM 1256 CG GLU A 82 117.141 11.257 3.128 1.00 0.00 C ATOM 1257 CD GLU A 82 118.465 11.563 2.427 1.00 0.00 C ATOM 1258 OE1 GLU A 82 118.898 10.741 1.635 1.00 0.00 O ATOM 1259 OE2 GLU A 82 119.027 12.612 2.696 1.00 0.00 O ATOM 0 H GLU A 82 117.679 7.444 4.131 1.00 0.00 H new ATOM 0 HA GLU A 82 119.059 10.101 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.239 9.154 2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 82 116.110 9.526 3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 82 116.306 11.501 2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 82 117.038 11.877 4.018 1.00 0.00 H new ATOM 1266 N GLY A 83 117.198 8.760 6.659 1.00 0.00 N ATOM 1267 CA GLY A 83 116.682 8.973 8.044 1.00 0.00 C ATOM 1268 C GLY A 83 115.193 9.311 7.985 1.00 0.00 C ATOM 1269 O GLY A 83 114.674 10.033 8.815 1.00 0.00 O ATOM 0 H GLY A 83 117.152 7.798 6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 83 116.839 8.077 8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 83 117.231 9.781 8.528 1.00 0.00 H new ATOM 1273 N PHE A 84 114.504 8.794 7.005 1.00 0.00 N ATOM 1274 CA PHE A 84 113.045 9.077 6.877 1.00 0.00 C ATOM 1275 C PHE A 84 112.231 7.928 7.481 1.00 0.00 C ATOM 1276 O PHE A 84 111.920 6.960 6.815 1.00 0.00 O ATOM 1277 CB PHE A 84 112.801 9.178 5.364 1.00 0.00 C ATOM 1278 CG PHE A 84 111.477 9.940 5.063 1.00 0.00 C ATOM 1279 CD1 PHE A 84 111.451 11.309 4.795 1.00 0.00 C ATOM 1280 CD2 PHE A 84 110.776 10.192 3.831 1.00 0.00 C ATOM 1281 CE1 PHE A 84 110.164 10.812 4.470 1.00 0.00 C ATOM 1282 CE2 PHE A 84 111.755 11.014 4.420 1.00 0.00 C ATOM 1283 CZ PHE A 84 111.082 10.346 5.442 1.00 0.00 C ATOM 0 H PHE A 84 114.890 8.185 6.284 1.00 0.00 H new ATOM 0 HA PHE A 84 112.746 9.984 7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 84 113.637 9.693 4.891 1.00 0.00 H new ATOM 0 HB3 PHE A 84 112.756 8.178 4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 84 112.051 12.207 4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 84 110.061 9.945 3.060 1.00 0.00 H new ATOM 0 HE1 PHE A 84 109.233 10.799 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.542 11.724 4.210 1.00 0.00 H new ATOM 0 HZ PHE A 84 111.191 9.814 6.376 1.00 0.00 H new ATOM 1293 N LEU A 85 111.888 8.025 8.738 1.00 0.00 N ATOM 1294 CA LEU A 85 111.097 6.934 9.382 1.00 0.00 C ATOM 1295 C LEU A 85 109.704 6.843 8.752 1.00 0.00 C ATOM 1296 O LEU A 85 109.051 5.821 8.819 1.00 0.00 O ATOM 1297 CB LEU A 85 110.991 7.331 10.858 1.00 0.00 C ATOM 1298 CG LEU A 85 111.855 6.397 11.707 1.00 0.00 C ATOM 1299 CD1 LEU A 85 111.859 6.885 13.156 1.00 0.00 C ATOM 1300 CD2 LEU A 85 111.281 4.979 11.650 1.00 0.00 C ATOM 0 H LEU A 85 112.120 8.810 9.346 1.00 0.00 H new ATOM 0 HA LEU A 85 111.568 5.959 9.255 1.00 0.00 H new ATOM 0 HB2 LEU A 85 111.315 8.363 10.991 1.00 0.00 H new ATOM 0 HB3 LEU A 85 109.952 7.279 11.185 1.00 0.00 H new ATOM 0 HG LEU A 85 112.874 6.393 11.321 1.00 0.00 H new ATOM 0 HD11 LEU A 85 112.474 6.220 13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 85 112.266 7.895 13.199 1.00 0.00 H new ATOM 0 HD13 LEU A 85 110.840 6.888 13.542 1.00 0.00 H new ATOM 0 HD21 LEU A 85 111.896 4.313 12.255 1.00 0.00 H new ATOM 0 HD22 LEU A 85 110.262 4.983 12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 85 111.275 4.630 10.617 1.00 0.00 H new ATOM 1312 N ASP A 86 109.245 7.905 8.147 1.00 0.00 N ATOM 1313 CA ASP A 86 107.890 7.880 7.516 1.00 0.00 C ATOM 1314 C ASP A 86 107.806 6.758 6.476 1.00 0.00 C ATOM 1315 O ASP A 86 106.813 6.063 6.381 1.00 0.00 O ATOM 1316 CB ASP A 86 107.741 9.248 6.849 1.00 0.00 C ATOM 1317 CG ASP A 86 107.365 10.294 7.903 1.00 0.00 C ATOM 1318 OD1 ASP A 86 107.720 10.103 9.056 1.00 0.00 O ATOM 1319 OD2 ASP A 86 106.729 11.268 7.539 1.00 0.00 O ATOM 0 H ASP A 86 109.747 8.789 8.061 1.00 0.00 H new ATOM 0 HA ASP A 86 107.099 7.692 8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 86 108.674 9.529 6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 86 106.975 9.205 6.075 1.00 0.00 H new ATOM 1324 N THR A 87 108.840 6.575 5.700 1.00 0.00 N ATOM 1325 CA THR A 87 108.821 5.493 4.671 1.00 0.00 C ATOM 1326 C THR A 87 108.954 4.125 5.348 1.00 0.00 C ATOM 1327 O THR A 87 108.355 3.154 4.929 1.00 0.00 O ATOM 1328 CB THR A 87 110.033 5.771 3.778 1.00 0.00 C ATOM 1329 OG1 THR A 87 109.864 7.026 3.135 1.00 0.00 O ATOM 1330 CG2 THR A 87 110.169 4.667 2.723 1.00 0.00 C ATOM 0 H THR A 87 109.697 7.127 5.733 1.00 0.00 H new ATOM 0 HA THR A 87 107.892 5.479 4.100 1.00 0.00 H new ATOM 0 HB THR A 87 110.935 5.791 4.390 1.00 0.00 H new ATOM 0 HG1 THR A 87 110.313 7.724 3.656 1.00 0.00 H new ATOM 0 HG21 THR A 87 111.033 4.872 2.091 1.00 0.00 H new ATOM 0 HG22 THR A 87 110.301 3.705 3.218 1.00 0.00 H new ATOM 0 HG23 THR A 87 109.269 4.638 2.108 1.00 0.00 H new ATOM 1338 N LEU A 88 109.733 4.042 6.395 1.00 0.00 N ATOM 1339 CA LEU A 88 109.901 2.737 7.098 1.00 0.00 C ATOM 1340 C LEU A 88 108.555 2.278 7.667 1.00 0.00 C ATOM 1341 O LEU A 88 108.193 1.121 7.577 1.00 0.00 O ATOM 1342 CB LEU A 88 110.892 3.017 8.228 1.00 0.00 C ATOM 1343 CG LEU A 88 112.323 2.914 7.693 1.00 0.00 C ATOM 1344 CD1 LEU A 88 112.725 4.243 7.049 1.00 0.00 C ATOM 1345 CD2 LEU A 88 113.274 2.601 8.851 1.00 0.00 C ATOM 0 H LEU A 88 110.259 4.820 6.793 1.00 0.00 H new ATOM 0 HA LEU A 88 110.257 1.949 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 88 110.718 4.011 8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 88 110.744 2.305 9.040 1.00 0.00 H new ATOM 0 HG LEU A 88 112.378 2.120 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 88 113.744 4.169 6.668 1.00 0.00 H new ATOM 0 HD12 LEU A 88 112.046 4.469 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 88 112.672 5.038 7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 88 114.294 2.527 8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 88 113.218 3.397 9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 88 112.988 1.655 9.312 1.00 0.00 H new ATOM 1357 N VAL A 89 107.807 3.184 8.240 1.00 0.00 N ATOM 1358 CA VAL A 89 106.478 2.807 8.805 1.00 0.00 C ATOM 1359 C VAL A 89 105.584 2.278 7.685 1.00 0.00 C ATOM 1360 O VAL A 89 104.919 1.271 7.829 1.00 0.00 O ATOM 1361 CB VAL A 89 105.904 4.101 9.389 1.00 0.00 C ATOM 1362 CG1 VAL A 89 104.523 3.825 9.990 1.00 0.00 C ATOM 1363 CG2 VAL A 89 106.836 4.630 10.483 1.00 0.00 C ATOM 0 H VAL A 89 108.058 4.167 8.341 1.00 0.00 H new ATOM 0 HA VAL A 89 106.550 2.027 9.563 1.00 0.00 H new ATOM 0 HB VAL A 89 105.815 4.844 8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 89 104.116 4.747 10.405 1.00 0.00 H new ATOM 0 HG12 VAL A 89 103.856 3.452 9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 89 104.612 3.080 10.780 1.00 0.00 H new ATOM 0 HG21 VAL A 89 106.425 5.551 10.897 1.00 0.00 H new ATOM 0 HG22 VAL A 89 106.928 3.886 11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 89 107.819 4.830 10.058 1.00 0.00 H new ATOM 1373 N VAL A 90 105.572 2.949 6.562 1.00 0.00 N ATOM 1374 CA VAL A 90 104.733 2.492 5.420 1.00 0.00 C ATOM 1375 C VAL A 90 105.083 1.043 5.064 1.00 0.00 C ATOM 1376 O VAL A 90 104.215 0.221 4.841 1.00 0.00 O ATOM 1377 CB VAL A 90 105.086 3.428 4.262 1.00 0.00 C ATOM 1378 CG1 VAL A 90 104.278 3.042 3.023 1.00 0.00 C ATOM 1379 CG2 VAL A 90 104.757 4.871 4.650 1.00 0.00 C ATOM 0 H VAL A 90 106.111 3.798 6.389 1.00 0.00 H new ATOM 0 HA VAL A 90 103.668 2.520 5.651 1.00 0.00 H new ATOM 0 HB VAL A 90 106.150 3.342 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 90 104.532 3.711 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 90 104.512 2.015 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 90 103.214 3.125 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 90 105.009 5.536 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 90 103.693 4.955 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 90 105.334 5.152 5.531 1.00 0.00 H new ATOM 1389 N LEU A 91 106.350 0.727 5.013 1.00 0.00 N ATOM 1390 CA LEU A 91 106.758 -0.669 4.678 1.00 0.00 C ATOM 1391 C LEU A 91 106.234 -1.631 5.746 1.00 0.00 C ATOM 1392 O LEU A 91 105.682 -2.670 5.443 1.00 0.00 O ATOM 1393 CB LEU A 91 108.290 -0.651 4.677 1.00 0.00 C ATOM 1394 CG LEU A 91 108.795 -0.406 3.253 1.00 0.00 C ATOM 1395 CD1 LEU A 91 108.634 1.073 2.904 1.00 0.00 C ATOM 1396 CD2 LEU A 91 110.273 -0.793 3.162 1.00 0.00 C ATOM 0 H LEU A 91 107.119 1.374 5.188 1.00 0.00 H new ATOM 0 HA LEU A 91 106.359 -1.000 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 91 108.656 0.130 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 91 108.676 -1.598 5.054 1.00 0.00 H new ATOM 0 HG LEU A 91 108.217 -1.010 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 91 108.993 1.249 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 91 107.582 1.350 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 91 109.212 1.677 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 91 110.633 -0.619 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 91 110.851 -0.189 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 91 110.389 -1.848 3.412 1.00 0.00 H new ATOM 1408 N HIS A 92 106.399 -1.287 6.995 1.00 0.00 N ATOM 1409 CA HIS A 92 105.904 -2.176 8.085 1.00 0.00 C ATOM 1410 C HIS A 92 104.373 -2.153 8.134 1.00 0.00 C ATOM 1411 O HIS A 92 103.750 -3.003 8.739 1.00 0.00 O ATOM 1412 CB HIS A 92 106.493 -1.596 9.372 1.00 0.00 C ATOM 1413 CG HIS A 92 106.793 -2.712 10.334 1.00 0.00 C ATOM 1414 ND1 HIS A 92 106.699 -2.549 11.707 1.00 0.00 N ATOM 1415 CD2 HIS A 92 107.187 -4.012 10.137 1.00 0.00 C ATOM 1416 CE1 HIS A 92 107.030 -3.721 12.279 1.00 0.00 C ATOM 1417 NE2 HIS A 92 107.335 -4.648 11.366 1.00 0.00 N ATOM 0 H HIS A 92 106.855 -0.430 7.307 1.00 0.00 H new ATOM 0 HA HIS A 92 106.200 -3.214 7.936 1.00 0.00 H new ATOM 0 HB2 HIS A 92 107.403 -1.039 9.149 1.00 0.00 H new ATOM 0 HB3 HIS A 92 105.791 -0.893 9.821 1.00 0.00 H new ATOM 0 HD2 HIS A 92 107.356 -4.472 9.174 1.00 0.00 H new ATOM 0 HE1 HIS A 92 107.047 -3.892 13.345 1.00 0.00 H new ATOM 0 HE2 HIS A 92 107.616 -5.614 11.534 1.00 0.00 H new ATOM 1425 N ARG A 93 103.764 -1.185 7.501 1.00 0.00 N ATOM 1426 CA ARG A 93 102.273 -1.104 7.511 1.00 0.00 C ATOM 1427 C ARG A 93 101.681 -2.170 6.585 1.00 0.00 C ATOM 1428 O ARG A 93 101.104 -3.142 7.033 1.00 0.00 O ATOM 1429 CB ARG A 93 101.944 0.301 6.998 1.00 0.00 C ATOM 1430 CG ARG A 93 100.775 0.881 7.797 1.00 0.00 C ATOM 1431 CD ARG A 93 100.804 2.407 7.705 1.00 0.00 C ATOM 1432 NE ARG A 93 99.552 2.857 8.371 1.00 0.00 N ATOM 1433 CZ ARG A 93 99.549 3.954 9.078 1.00 0.00 C ATOM 1434 NH1 ARG A 93 100.195 5.006 8.655 1.00 0.00 N ATOM 1435 NH2 ARG A 93 98.899 4.000 10.209 1.00 0.00 N ATOM 0 H ARG A 93 104.234 -0.447 6.977 1.00 0.00 H new ATOM 0 HA ARG A 93 101.857 -1.279 8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 93 102.817 0.947 7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 93 101.689 0.262 5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 93 99.830 0.500 7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 93 100.841 0.567 8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.684 2.816 8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 93 100.840 2.739 6.667 1.00 0.00 H new ATOM 0 HE ARG A 93 98.697 2.309 8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 93 100.703 4.971 7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 93 100.192 5.863 9.208 1.00 0.00 H new ATOM 0 HH21 ARG A 93 98.393 3.178 10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 93 98.897 4.857 10.761 1.00 0.00 H new ATOM 1449 N ALA A 94 101.817 -1.994 5.296 1.00 0.00 N ATOM 1450 CA ALA A 94 101.263 -2.989 4.340 1.00 0.00 C ATOM 1451 C ALA A 94 101.912 -4.360 4.564 1.00 0.00 C ATOM 1452 O ALA A 94 101.332 -5.238 5.172 1.00 0.00 O ATOM 1453 CB ALA A 94 101.611 -2.448 2.951 1.00 0.00 C ATOM 0 H ALA A 94 102.291 -1.199 4.866 1.00 0.00 H new ATOM 0 HA ALA A 94 100.189 -3.124 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 94 101.234 -3.131 2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 94 101.154 -1.467 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 94 102.693 -2.360 2.855 1.00 0.00 H new ATOM 1459 N GLY A 95 103.111 -4.548 4.077 1.00 0.00 N ATOM 1460 CA GLY A 95 103.795 -5.860 4.262 1.00 0.00 C ATOM 1461 C GLY A 95 105.242 -5.754 3.779 1.00 0.00 C ATOM 1462 O GLY A 95 105.509 -5.686 2.595 1.00 0.00 O ATOM 0 H GLY A 95 103.645 -3.850 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 95 103.772 -6.149 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 95 103.271 -6.637 3.706 1.00 0.00 H new ATOM 1466 N ALA A 96 106.177 -5.741 4.689 1.00 0.00 N ATOM 1467 CA ALA A 96 107.612 -5.640 4.295 1.00 0.00 C ATOM 1468 C ALA A 96 108.501 -6.118 5.445 1.00 0.00 C ATOM 1469 O ALA A 96 108.479 -5.566 6.528 1.00 0.00 O ATOM 1470 CB ALA A 96 107.843 -4.154 4.015 1.00 0.00 C ATOM 0 H ALA A 96 106.008 -5.796 5.693 1.00 0.00 H new ATOM 0 HA ALA A 96 107.852 -6.256 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 96 108.880 -3.997 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 96 107.182 -3.828 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 96 107.632 -3.577 4.915 1.00 0.00 H new ATOM 1476 N ARG A 97 109.280 -7.142 5.222 1.00 0.00 N ATOM 1477 CA ARG A 97 110.166 -7.657 6.309 1.00 0.00 C ATOM 1478 C ARG A 97 111.144 -6.569 6.760 1.00 0.00 C ATOM 1479 O ARG A 97 111.855 -5.990 5.962 1.00 0.00 O ATOM 1480 CB ARG A 97 110.924 -8.831 5.691 1.00 0.00 C ATOM 1481 CG ARG A 97 111.807 -9.477 6.761 1.00 0.00 C ATOM 1482 CD ARG A 97 112.522 -10.697 6.173 1.00 0.00 C ATOM 1483 NE ARG A 97 111.541 -11.814 6.280 1.00 0.00 N ATOM 1484 CZ ARG A 97 111.186 -12.268 7.453 1.00 0.00 C ATOM 1485 NH1 ARG A 97 112.079 -12.413 8.395 1.00 0.00 N ATOM 1486 NH2 ARG A 97 109.939 -12.574 7.684 1.00 0.00 N ATOM 0 H ARG A 97 109.342 -7.644 4.336 1.00 0.00 H new ATOM 0 HA ARG A 97 109.597 -7.958 7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 97 110.222 -9.563 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.535 -8.486 4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.538 -8.756 7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 97 111.200 -9.776 7.615 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.809 -10.523 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 97 113.436 -10.921 6.724 1.00 0.00 H new ATOM 0 HE ARG A 97 111.145 -12.226 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 97 113.054 -12.172 8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 97 111.802 -12.767 9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 97 109.241 -12.459 6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 97 109.662 -12.928 8.599 1.00 0.00 H new ATOM 1500 N LEU A 98 111.186 -6.291 8.036 1.00 0.00 N ATOM 1501 CA LEU A 98 112.119 -5.244 8.543 1.00 0.00 C ATOM 1502 C LEU A 98 113.227 -5.883 9.385 1.00 0.00 C ATOM 1503 O LEU A 98 113.333 -5.645 10.571 1.00 0.00 O ATOM 1504 CB LEU A 98 111.253 -4.324 9.405 1.00 0.00 C ATOM 1505 CG LEU A 98 111.776 -2.886 9.305 1.00 0.00 C ATOM 1506 CD1 LEU A 98 110.722 -2.002 8.634 1.00 0.00 C ATOM 1507 CD2 LEU A 98 112.069 -2.350 10.709 1.00 0.00 C ATOM 0 H LEU A 98 110.614 -6.744 8.749 1.00 0.00 H new ATOM 0 HA LEU A 98 112.609 -4.702 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 98 110.215 -4.369 9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.271 -4.657 10.443 1.00 0.00 H new ATOM 0 HG LEU A 98 112.690 -2.875 8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 98 111.095 -0.980 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 98 110.512 -2.381 7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.807 -2.014 9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 98 112.441 -1.328 10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.154 -2.363 11.302 1.00 0.00 H new ATOM 0 HD23 LEU A 98 112.821 -2.977 11.188 1.00 0.00 H new ATOM 1519 N ASP A 99 114.054 -6.692 8.778 1.00 0.00 N ATOM 1520 CA ASP A 99 115.161 -7.345 9.538 1.00 0.00 C ATOM 1521 C ASP A 99 116.108 -8.063 8.573 1.00 0.00 C ATOM 1522 O ASP A 99 116.275 -9.266 8.630 1.00 0.00 O ATOM 1523 CB ASP A 99 114.478 -8.348 10.473 1.00 0.00 C ATOM 1524 CG ASP A 99 113.635 -9.329 9.657 1.00 0.00 C ATOM 1525 OD1 ASP A 99 112.486 -9.016 9.393 1.00 0.00 O ATOM 1526 OD2 ASP A 99 114.153 -10.379 9.312 1.00 0.00 O ATOM 0 H ASP A 99 114.011 -6.930 7.787 1.00 0.00 H new ATOM 0 HA ASP A 99 115.759 -6.623 10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 99 115.228 -8.891 11.049 1.00 0.00 H new ATOM 0 HB3 ASP A 99 113.847 -7.820 11.188 1.00 0.00 H new ATOM 1531 N VAL A 100 116.724 -7.330 7.686 1.00 0.00 N ATOM 1532 CA VAL A 100 117.661 -7.959 6.713 1.00 0.00 C ATOM 1533 C VAL A 100 118.976 -7.172 6.665 1.00 0.00 C ATOM 1534 O VAL A 100 119.096 -6.111 7.244 1.00 0.00 O ATOM 1535 CB VAL A 100 116.939 -7.871 5.360 1.00 0.00 C ATOM 1536 CG1 VAL A 100 116.872 -6.412 4.903 1.00 0.00 C ATOM 1537 CG2 VAL A 100 117.703 -8.696 4.323 1.00 0.00 C ATOM 0 H VAL A 100 116.618 -6.320 7.593 1.00 0.00 H new ATOM 0 HA VAL A 100 117.910 -8.986 6.981 1.00 0.00 H new ATOM 0 HB VAL A 100 115.927 -8.261 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 100 116.359 -6.355 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 100 116.327 -5.824 5.641 1.00 0.00 H new ATOM 0 HG13 VAL A 100 117.882 -6.017 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 100 117.193 -8.635 3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 100 118.716 -8.305 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 100 117.746 -9.736 4.646 1.00 0.00 H new ATOM 1547 N CYS A 101 119.950 -7.677 5.961 1.00 0.00 N ATOM 1548 CA CYS A 101 121.249 -6.954 5.843 1.00 0.00 C ATOM 1549 C CYS A 101 121.686 -6.986 4.380 1.00 0.00 C ATOM 1550 O CYS A 101 121.216 -7.803 3.612 1.00 0.00 O ATOM 1551 CB CYS A 101 122.271 -7.706 6.719 1.00 0.00 C ATOM 1552 SG CYS A 101 121.436 -8.814 7.888 1.00 0.00 S ATOM 0 H CYS A 101 119.903 -8.564 5.459 1.00 0.00 H new ATOM 0 HA CYS A 101 121.168 -5.917 6.167 1.00 0.00 H new ATOM 0 HB2 CYS A 101 122.945 -8.282 6.085 1.00 0.00 H new ATOM 0 HB3 CYS A 101 122.883 -6.989 7.266 1.00 0.00 H new ATOM 0 HG CYS A 101 122.310 -9.320 8.706 1.00 0.00 H new ATOM 1558 N ASP A 102 122.569 -6.117 3.981 1.00 0.00 N ATOM 1559 CA ASP A 102 123.015 -6.123 2.558 1.00 0.00 C ATOM 1560 C ASP A 102 123.835 -7.383 2.280 1.00 0.00 C ATOM 1561 O ASP A 102 125.037 -7.328 2.115 1.00 0.00 O ATOM 1562 CB ASP A 102 123.874 -4.867 2.393 1.00 0.00 C ATOM 1563 CG ASP A 102 123.071 -3.626 2.800 1.00 0.00 C ATOM 1564 OD1 ASP A 102 121.875 -3.755 3.006 1.00 0.00 O ATOM 1565 OD2 ASP A 102 123.668 -2.567 2.898 1.00 0.00 O ATOM 0 H ASP A 102 123.000 -5.406 4.572 1.00 0.00 H new ATOM 0 HA ASP A 102 122.177 -6.123 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 102 124.771 -4.947 3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 102 124.203 -4.774 1.358 1.00 0.00 H new ATOM 1570 N ALA A 103 123.185 -8.520 2.227 1.00 0.00 N ATOM 1571 CA ALA A 103 123.903 -9.803 1.963 1.00 0.00 C ATOM 1572 C ALA A 103 125.011 -10.011 3.003 1.00 0.00 C ATOM 1573 O ALA A 103 124.836 -10.721 3.974 1.00 0.00 O ATOM 1574 CB ALA A 103 124.491 -9.659 0.555 1.00 0.00 C ATOM 0 H ALA A 103 122.178 -8.613 2.357 1.00 0.00 H new ATOM 0 HA ALA A 103 123.242 -10.667 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 103 125.034 -10.567 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 103 123.685 -9.499 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 103 125.173 -8.809 0.531 1.00 0.00 H new ATOM 1580 N TRP A 104 126.139 -9.383 2.815 1.00 0.00 N ATOM 1581 CA TRP A 104 127.256 -9.522 3.795 1.00 0.00 C ATOM 1582 C TRP A 104 127.714 -8.132 4.239 1.00 0.00 C ATOM 1583 O TRP A 104 128.878 -7.909 4.509 1.00 0.00 O ATOM 1584 CB TRP A 104 128.390 -10.251 3.055 1.00 0.00 C ATOM 1585 CG TRP A 104 128.293 -10.009 1.579 1.00 0.00 C ATOM 1586 CD1 TRP A 104 128.014 -10.958 0.656 1.00 0.00 C ATOM 1587 CD2 TRP A 104 128.461 -8.761 0.844 1.00 0.00 C ATOM 1588 NE1 TRP A 104 128.002 -10.373 -0.598 1.00 0.00 N ATOM 1589 CE2 TRP A 104 128.272 -9.021 -0.533 1.00 0.00 C ATOM 1590 CE3 TRP A 104 128.759 -7.442 1.235 1.00 0.00 C ATOM 1591 CZ2 TRP A 104 128.372 -8.009 -1.489 1.00 0.00 C ATOM 1592 CZ3 TRP A 104 128.861 -6.422 0.276 1.00 0.00 C ATOM 1593 CH2 TRP A 104 128.666 -6.704 -1.084 1.00 0.00 C ATOM 0 H TRP A 104 126.337 -8.776 2.020 1.00 0.00 H new ATOM 0 HA TRP A 104 126.954 -10.076 4.684 1.00 0.00 H new ATOM 0 HB2 TRP A 104 129.355 -9.904 3.424 1.00 0.00 H new ATOM 0 HB3 TRP A 104 128.337 -11.320 3.259 1.00 0.00 H new ATOM 0 HD1 TRP A 104 127.831 -12.002 0.864 1.00 0.00 H new ATOM 0 HE1 TRP A 104 127.816 -10.879 -1.464 1.00 0.00 H new ATOM 0 HE3 TRP A 104 128.910 -7.213 2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 128.223 -8.233 -2.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 129.091 -5.414 0.587 1.00 0.00 H new ATOM 0 HH2 TRP A 104 128.743 -5.914 -1.817 1.00 0.00 H new ATOM 1604 N GLY A 105 126.806 -7.193 4.303 1.00 0.00 N ATOM 1605 CA GLY A 105 127.190 -5.813 4.714 1.00 0.00 C ATOM 1606 C GLY A 105 126.514 -5.443 6.034 1.00 0.00 C ATOM 1607 O GLY A 105 126.385 -6.256 6.928 1.00 0.00 O ATOM 0 H GLY A 105 125.817 -7.323 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 105 128.273 -5.747 4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 105 126.902 -5.103 3.939 1.00 0.00 H new ATOM 1611 N ARG A 106 126.095 -4.211 6.166 1.00 0.00 N ATOM 1612 CA ARG A 106 125.440 -3.773 7.431 1.00 0.00 C ATOM 1613 C ARG A 106 123.917 -3.802 7.292 1.00 0.00 C ATOM 1614 O ARG A 106 123.377 -3.768 6.204 1.00 0.00 O ATOM 1615 CB ARG A 106 125.924 -2.339 7.652 1.00 0.00 C ATOM 1616 CG ARG A 106 127.448 -2.324 7.800 1.00 0.00 C ATOM 1617 CD ARG A 106 128.015 -1.064 7.136 1.00 0.00 C ATOM 1618 NE ARG A 106 129.133 -0.621 8.021 1.00 0.00 N ATOM 1619 CZ ARG A 106 130.202 -1.364 8.165 1.00 0.00 C ATOM 1620 NH1 ARG A 106 130.595 -2.152 7.199 1.00 0.00 N ATOM 1621 NH2 ARG A 106 130.882 -1.314 9.278 1.00 0.00 N ATOM 0 H ARG A 106 126.179 -3.489 5.450 1.00 0.00 H new ATOM 0 HA ARG A 106 125.691 -4.428 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 106 125.625 -1.711 6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 106 125.458 -1.922 8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 106 127.722 -2.346 8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 106 127.877 -3.214 7.341 1.00 0.00 H new ATOM 0 HD2 ARG A 106 128.372 -1.277 6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 106 127.253 -0.290 7.047 1.00 0.00 H new ATOM 0 HE ARG A 106 129.064 0.267 8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 106 130.068 -2.191 6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 106 131.428 -2.728 7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 106 130.580 -0.698 10.033 1.00 0.00 H new ATOM 0 HH22 ARG A 106 131.715 -1.891 9.393 1.00 0.00 H new ATOM 1635 N LEU A 107 123.225 -3.856 8.398 1.00 0.00 N ATOM 1636 CA LEU A 107 121.735 -3.878 8.359 1.00 0.00 C ATOM 1637 C LEU A 107 121.205 -2.458 8.125 1.00 0.00 C ATOM 1638 O LEU A 107 121.972 -1.517 8.091 1.00 0.00 O ATOM 1639 CB LEU A 107 121.326 -4.385 9.745 1.00 0.00 C ATOM 1640 CG LEU A 107 121.103 -5.899 9.694 1.00 0.00 C ATOM 1641 CD1 LEU A 107 122.394 -6.619 10.091 1.00 0.00 C ATOM 1642 CD2 LEU A 107 119.990 -6.282 10.670 1.00 0.00 C ATOM 0 H LEU A 107 123.631 -3.886 9.333 1.00 0.00 H new ATOM 0 HA LEU A 107 121.338 -4.504 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 107 122.100 -4.146 10.474 1.00 0.00 H new ATOM 0 HB3 LEU A 107 120.415 -3.884 10.072 1.00 0.00 H new ATOM 0 HG LEU A 107 120.819 -6.190 8.683 1.00 0.00 H new ATOM 0 HD11 LEU A 107 122.235 -7.697 10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 107 123.191 -6.346 9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 107 122.677 -6.328 11.103 1.00 0.00 H new ATOM 0 HD21 LEU A 107 119.830 -7.360 10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 107 120.276 -5.990 11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 107 119.069 -5.769 10.391 1.00 0.00 H new ATOM 1654 N PRO A 108 119.908 -2.337 7.979 1.00 0.00 N ATOM 1655 CA PRO A 108 119.297 -1.002 7.759 1.00 0.00 C ATOM 1656 C PRO A 108 119.475 -0.128 9.004 1.00 0.00 C ATOM 1657 O PRO A 108 119.342 1.080 8.952 1.00 0.00 O ATOM 1658 CB PRO A 108 117.824 -1.317 7.502 1.00 0.00 C ATOM 1659 CG PRO A 108 117.604 -2.639 8.160 1.00 0.00 C ATOM 1660 CD PRO A 108 118.893 -3.400 8.007 1.00 0.00 C ATOM 0 HA PRO A 108 119.749 -0.448 6.937 1.00 0.00 H new ATOM 0 HB2 PRO A 108 117.175 -0.550 7.925 1.00 0.00 H new ATOM 0 HB3 PRO A 108 117.609 -1.364 6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 108 117.348 -2.513 9.212 1.00 0.00 H new ATOM 0 HG3 PRO A 108 116.777 -3.174 7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 108 119.055 -4.090 8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 108 118.905 -3.993 7.092 1.00 0.00 H new ATOM 1668 N VAL A 109 119.787 -0.730 10.123 1.00 0.00 N ATOM 1669 CA VAL A 109 119.987 0.063 11.370 1.00 0.00 C ATOM 1670 C VAL A 109 121.463 0.444 11.511 1.00 0.00 C ATOM 1671 O VAL A 109 121.798 1.507 11.992 1.00 0.00 O ATOM 1672 CB VAL A 109 119.550 -0.865 12.510 1.00 0.00 C ATOM 1673 CG1 VAL A 109 120.529 -2.038 12.639 1.00 0.00 C ATOM 1674 CG2 VAL A 109 119.530 -0.078 13.823 1.00 0.00 C ATOM 0 H VAL A 109 119.912 -1.737 10.226 1.00 0.00 H new ATOM 0 HA VAL A 109 119.417 0.992 11.371 1.00 0.00 H new ATOM 0 HB VAL A 109 118.554 -1.252 12.293 1.00 0.00 H new ATOM 0 HG11 VAL A 109 120.210 -2.691 13.451 1.00 0.00 H new ATOM 0 HG12 VAL A 109 120.547 -2.601 11.706 1.00 0.00 H new ATOM 0 HG13 VAL A 109 121.528 -1.657 12.851 1.00 0.00 H new ATOM 0 HG21 VAL A 109 119.220 -0.734 14.636 1.00 0.00 H new ATOM 0 HG22 VAL A 109 120.527 0.310 14.030 1.00 0.00 H new ATOM 0 HG23 VAL A 109 118.828 0.752 13.739 1.00 0.00 H new ATOM 1684 N ASP A 110 122.347 -0.422 11.089 1.00 0.00 N ATOM 1685 CA ASP A 110 123.803 -0.119 11.191 1.00 0.00 C ATOM 1686 C ASP A 110 124.162 1.041 10.258 1.00 0.00 C ATOM 1687 O ASP A 110 124.918 1.925 10.614 1.00 0.00 O ATOM 1688 CB ASP A 110 124.510 -1.401 10.745 1.00 0.00 C ATOM 1689 CG ASP A 110 124.595 -2.374 11.922 1.00 0.00 C ATOM 1690 OD1 ASP A 110 125.165 -2.001 12.933 1.00 0.00 O ATOM 1691 OD2 ASP A 110 124.088 -3.476 11.792 1.00 0.00 O ATOM 0 H ASP A 110 122.122 -1.328 10.677 1.00 0.00 H new ATOM 0 HA ASP A 110 124.095 0.176 12.199 1.00 0.00 H new ATOM 0 HB2 ASP A 110 123.967 -1.860 9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 110 125.510 -1.169 10.379 1.00 0.00 H new ATOM 1696 N LEU A 111 123.620 1.046 9.069 1.00 0.00 N ATOM 1697 CA LEU A 111 123.922 2.149 8.111 1.00 0.00 C ATOM 1698 C LEU A 111 123.559 3.499 8.737 1.00 0.00 C ATOM 1699 O LEU A 111 124.175 4.509 8.460 1.00 0.00 O ATOM 1700 CB LEU A 111 123.045 1.869 6.891 1.00 0.00 C ATOM 1701 CG LEU A 111 123.587 2.637 5.685 1.00 0.00 C ATOM 1702 CD1 LEU A 111 122.980 2.066 4.402 1.00 0.00 C ATOM 1703 CD2 LEU A 111 123.214 4.115 5.814 1.00 0.00 C ATOM 0 H LEU A 111 122.980 0.333 8.720 1.00 0.00 H new ATOM 0 HA LEU A 111 124.979 2.192 7.848 1.00 0.00 H new ATOM 0 HB2 LEU A 111 123.031 0.800 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 111 122.016 2.168 7.093 1.00 0.00 H new ATOM 0 HG LEU A 111 124.672 2.538 5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 111 123.366 2.613 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 111 123.246 1.013 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 111 121.895 2.165 4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 111 123.600 4.664 4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 111 122.129 4.215 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 111 123.647 4.521 6.728 1.00 0.00 H new ATOM 1715 N ALA A 112 122.565 3.516 9.583 1.00 0.00 N ATOM 1716 CA ALA A 112 122.158 4.792 10.237 1.00 0.00 C ATOM 1717 C ALA A 112 123.035 5.054 11.463 1.00 0.00 C ATOM 1718 O ALA A 112 123.386 6.180 11.759 1.00 0.00 O ATOM 1719 CB ALA A 112 120.703 4.574 10.654 1.00 0.00 C ATOM 0 H ALA A 112 122.016 2.699 9.850 1.00 0.00 H new ATOM 0 HA ALA A 112 122.267 5.652 9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 112 120.327 5.471 11.145 1.00 0.00 H new ATOM 0 HB2 ALA A 112 120.099 4.363 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 112 120.644 3.732 11.343 1.00 0.00 H new ATOM 1725 N GLU A 113 123.390 4.020 12.179 1.00 0.00 N ATOM 1726 CA GLU A 113 124.243 4.195 13.389 1.00 0.00 C ATOM 1727 C GLU A 113 125.533 4.944 13.037 1.00 0.00 C ATOM 1728 O GLU A 113 126.132 5.591 13.873 1.00 0.00 O ATOM 1729 CB GLU A 113 124.562 2.775 13.858 1.00 0.00 C ATOM 1730 CG GLU A 113 123.391 2.228 14.676 1.00 0.00 C ATOM 1731 CD GLU A 113 123.794 0.905 15.332 1.00 0.00 C ATOM 1732 OE1 GLU A 113 124.676 0.248 14.803 1.00 0.00 O ATOM 1733 OE2 GLU A 113 123.211 0.570 16.349 1.00 0.00 O ATOM 0 H GLU A 113 123.124 3.057 11.976 1.00 0.00 H new ATOM 0 HA GLU A 113 123.741 4.780 14.160 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.750 2.131 12.999 1.00 0.00 H new ATOM 0 HB3 GLU A 113 125.470 2.776 14.461 1.00 0.00 H new ATOM 0 HG2 GLU A 113 123.099 2.950 15.439 1.00 0.00 H new ATOM 0 HG3 GLU A 113 122.524 2.077 14.032 1.00 0.00 H new ATOM 1740 N GLU A 114 125.966 4.854 11.808 1.00 0.00 N ATOM 1741 CA GLU A 114 127.222 5.552 11.404 1.00 0.00 C ATOM 1742 C GLU A 114 126.914 6.951 10.861 1.00 0.00 C ATOM 1743 O GLU A 114 127.550 7.921 11.227 1.00 0.00 O ATOM 1744 CB GLU A 114 127.826 4.678 10.304 1.00 0.00 C ATOM 1745 CG GLU A 114 129.200 5.224 9.912 1.00 0.00 C ATOM 1746 CD GLU A 114 129.997 4.135 9.190 1.00 0.00 C ATOM 1747 OE1 GLU A 114 129.859 2.982 9.565 1.00 0.00 O ATOM 1748 OE2 GLU A 114 130.731 4.473 8.276 1.00 0.00 O ATOM 0 H GLU A 114 125.505 4.328 11.066 1.00 0.00 H new ATOM 0 HA GLU A 114 127.901 5.684 12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 114 127.918 3.649 10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 114 127.168 4.663 9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 114 129.086 6.094 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 114 129.738 5.555 10.800 1.00 0.00 H new ATOM 1755 N GLN A 115 125.952 7.063 9.984 1.00 0.00 N ATOM 1756 CA GLN A 115 125.617 8.400 9.411 1.00 0.00 C ATOM 1757 C GLN A 115 125.045 9.326 10.499 1.00 0.00 C ATOM 1758 O GLN A 115 125.788 9.900 11.271 1.00 0.00 O ATOM 1759 CB GLN A 115 124.593 8.116 8.308 1.00 0.00 C ATOM 1760 CG GLN A 115 124.224 9.423 7.599 1.00 0.00 C ATOM 1761 CD GLN A 115 125.473 10.028 6.954 1.00 0.00 C ATOM 1762 OE1 GLN A 115 126.406 9.321 6.627 1.00 0.00 O ATOM 1763 NE2 GLN A 115 125.532 11.317 6.757 1.00 0.00 N ATOM 0 H GLN A 115 125.385 6.288 9.640 1.00 0.00 H new ATOM 0 HA GLN A 115 126.492 8.914 9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 115 125.004 7.405 7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 115 123.701 7.658 8.735 1.00 0.00 H new ATOM 0 HG2 GLN A 115 123.465 9.235 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 115 123.794 10.126 8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 115 124.750 11.911 7.031 1.00 0.00 H new ATOM 0 HE22 GLN A 115 126.361 11.730 6.329 1.00 0.00 H new ATOM 1772 N GLY A 116 123.745 9.489 10.573 1.00 0.00 N ATOM 1773 CA GLY A 116 123.176 10.390 11.618 1.00 0.00 C ATOM 1774 C GLY A 116 121.680 10.120 11.803 1.00 0.00 C ATOM 1775 O GLY A 116 120.941 10.978 12.247 1.00 0.00 O ATOM 0 H GLY A 116 123.062 9.042 9.961 1.00 0.00 H new ATOM 0 HA2 GLY A 116 123.699 10.237 12.562 1.00 0.00 H new ATOM 0 HA3 GLY A 116 123.331 11.431 11.333 1.00 0.00 H new ATOM 1779 N HIS A 117 121.223 8.940 11.480 1.00 0.00 N ATOM 1780 CA HIS A 117 119.771 8.631 11.655 1.00 0.00 C ATOM 1781 C HIS A 117 119.575 7.823 12.939 1.00 0.00 C ATOM 1782 O HIS A 117 119.564 6.608 12.924 1.00 0.00 O ATOM 1783 CB HIS A 117 119.359 7.803 10.429 1.00 0.00 C ATOM 1784 CG HIS A 117 120.161 8.220 9.224 1.00 0.00 C ATOM 1785 ND1 HIS A 117 120.760 7.298 8.381 1.00 0.00 N ATOM 1786 CD2 HIS A 117 120.479 9.455 8.715 1.00 0.00 C ATOM 1787 CE1 HIS A 117 121.403 7.986 7.420 1.00 0.00 C ATOM 1788 NE2 HIS A 117 121.263 9.304 7.576 1.00 0.00 N ATOM 0 H HIS A 117 121.788 8.179 11.104 1.00 0.00 H new ATOM 0 HA HIS A 117 119.167 9.535 11.735 1.00 0.00 H new ATOM 0 HB2 HIS A 117 119.514 6.743 10.629 1.00 0.00 H new ATOM 0 HB3 HIS A 117 118.296 7.938 10.231 1.00 0.00 H new ATOM 0 HD2 HIS A 117 120.168 10.400 9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 117 121.964 7.527 6.619 1.00 0.00 H new ATOM 0 HE2 HIS A 117 121.648 10.042 6.987 1.00 0.00 H new ATOM 1796 N ARG A 118 119.437 8.491 14.052 1.00 0.00 N ATOM 1797 CA ARG A 118 119.256 7.764 15.343 1.00 0.00 C ATOM 1798 C ARG A 118 117.801 7.318 15.514 1.00 0.00 C ATOM 1799 O ARG A 118 117.523 6.147 15.677 1.00 0.00 O ATOM 1800 CB ARG A 118 119.634 8.779 16.424 1.00 0.00 C ATOM 1801 CG ARG A 118 121.085 8.549 16.860 1.00 0.00 C ATOM 1802 CD ARG A 118 121.971 9.669 16.308 1.00 0.00 C ATOM 1803 NE ARG A 118 123.307 9.041 16.110 1.00 0.00 N ATOM 1804 CZ ARG A 118 124.363 9.792 15.965 1.00 0.00 C ATOM 1805 NH1 ARG A 118 124.639 10.707 16.853 1.00 0.00 N ATOM 1806 NH2 ARG A 118 125.142 9.630 14.931 1.00 0.00 N ATOM 0 H ARG A 118 119.442 9.508 14.124 1.00 0.00 H new ATOM 0 HA ARG A 118 119.867 6.862 15.392 1.00 0.00 H new ATOM 0 HB2 ARG A 118 119.515 9.793 16.043 1.00 0.00 H new ATOM 0 HB3 ARG A 118 118.966 8.680 17.280 1.00 0.00 H new ATOM 0 HG2 ARG A 118 121.149 8.524 17.948 1.00 0.00 H new ATOM 0 HG3 ARG A 118 121.435 7.582 16.498 1.00 0.00 H new ATOM 0 HD2 ARG A 118 121.575 10.059 15.370 1.00 0.00 H new ATOM 0 HD3 ARG A 118 122.028 10.507 17.003 1.00 0.00 H new ATOM 0 HE ARG A 118 123.396 8.025 16.088 1.00 0.00 H new ATOM 0 HH11 ARG A 118 124.029 10.835 17.660 1.00 0.00 H new ATOM 0 HH12 ARG A 118 125.465 11.295 16.740 1.00 0.00 H new ATOM 0 HH21 ARG A 118 124.925 8.916 14.236 1.00 0.00 H new ATOM 0 HH22 ARG A 118 125.968 10.218 14.818 1.00 0.00 H new ATOM 1820 N ASP A 119 116.878 8.245 15.487 1.00 0.00 N ATOM 1821 CA ASP A 119 115.434 7.885 15.657 1.00 0.00 C ATOM 1822 C ASP A 119 115.068 6.672 14.795 1.00 0.00 C ATOM 1823 O ASP A 119 114.439 5.740 15.257 1.00 0.00 O ATOM 1824 CB ASP A 119 114.663 9.123 15.193 1.00 0.00 C ATOM 1825 CG ASP A 119 113.165 8.914 15.422 1.00 0.00 C ATOM 1826 OD1 ASP A 119 112.820 8.169 16.326 1.00 0.00 O ATOM 1827 OD2 ASP A 119 112.386 9.505 14.693 1.00 0.00 O ATOM 0 H ASP A 119 117.061 9.240 15.354 1.00 0.00 H new ATOM 0 HA ASP A 119 115.201 7.614 16.687 1.00 0.00 H new ATOM 0 HB2 ASP A 119 115.005 10.002 15.739 1.00 0.00 H new ATOM 0 HB3 ASP A 119 114.857 9.309 14.137 1.00 0.00 H new ATOM 1832 N ILE A 120 115.465 6.673 13.552 1.00 0.00 N ATOM 1833 CA ILE A 120 115.145 5.515 12.670 1.00 0.00 C ATOM 1834 C ILE A 120 115.870 4.265 13.178 1.00 0.00 C ATOM 1835 O ILE A 120 115.345 3.169 13.143 1.00 0.00 O ATOM 1836 CB ILE A 120 115.642 5.929 11.279 1.00 0.00 C ATOM 1837 CG1 ILE A 120 115.035 5.006 10.222 1.00 0.00 C ATOM 1838 CG2 ILE A 120 117.170 5.845 11.213 1.00 0.00 C ATOM 1839 CD1 ILE A 120 114.678 5.823 8.979 1.00 0.00 C ATOM 0 H ILE A 120 115.996 7.423 13.110 1.00 0.00 H new ATOM 0 HA ILE A 120 114.082 5.273 12.652 1.00 0.00 H new ATOM 0 HB ILE A 120 115.336 6.957 11.088 1.00 0.00 H new ATOM 0 HG12 ILE A 120 115.742 4.218 9.962 1.00 0.00 H new ATOM 0 HG13 ILE A 120 114.145 4.518 10.618 1.00 0.00 H new ATOM 0 HG21 ILE A 120 117.508 6.142 10.220 1.00 0.00 H new ATOM 0 HG22 ILE A 120 117.604 6.512 11.958 1.00 0.00 H new ATOM 0 HG23 ILE A 120 117.487 4.822 11.414 1.00 0.00 H new ATOM 0 HD11 ILE A 120 114.245 5.167 8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 120 113.956 6.595 9.246 1.00 0.00 H new ATOM 0 HD13 ILE A 120 115.578 6.291 8.580 1.00 0.00 H new ATOM 1851 N ALA A 121 117.074 4.430 13.657 1.00 0.00 N ATOM 1852 CA ALA A 121 117.840 3.260 14.179 1.00 0.00 C ATOM 1853 C ALA A 121 117.101 2.638 15.366 1.00 0.00 C ATOM 1854 O ALA A 121 117.039 1.433 15.507 1.00 0.00 O ATOM 1855 CB ALA A 121 119.187 3.832 14.623 1.00 0.00 C ATOM 0 H ALA A 121 117.561 5.325 13.710 1.00 0.00 H new ATOM 0 HA ALA A 121 117.960 2.476 13.432 1.00 0.00 H new ATOM 0 HB1 ALA A 121 119.810 3.030 15.020 1.00 0.00 H new ATOM 0 HB2 ALA A 121 119.687 4.290 13.770 1.00 0.00 H new ATOM 0 HB3 ALA A 121 119.026 4.584 15.396 1.00 0.00 H new ATOM 1861 N ARG A 122 116.532 3.452 16.218 1.00 0.00 N ATOM 1862 CA ARG A 122 115.787 2.902 17.390 1.00 0.00 C ATOM 1863 C ARG A 122 114.586 2.100 16.895 1.00 0.00 C ATOM 1864 O ARG A 122 114.284 1.036 17.399 1.00 0.00 O ATOM 1865 CB ARG A 122 115.322 4.121 18.200 1.00 0.00 C ATOM 1866 CG ARG A 122 116.496 5.079 18.464 1.00 0.00 C ATOM 1867 CD ARG A 122 117.774 4.285 18.753 1.00 0.00 C ATOM 1868 NE ARG A 122 118.682 5.245 19.438 1.00 0.00 N ATOM 1869 CZ ARG A 122 119.832 4.836 19.900 1.00 0.00 C ATOM 1870 NH1 ARG A 122 119.875 4.048 20.939 1.00 0.00 N ATOM 1871 NH2 ARG A 122 120.939 5.215 19.322 1.00 0.00 N ATOM 0 H ARG A 122 116.551 4.470 16.153 1.00 0.00 H new ATOM 0 HA ARG A 122 116.403 2.238 17.996 1.00 0.00 H new ATOM 0 HB2 ARG A 122 114.534 4.644 17.659 1.00 0.00 H new ATOM 0 HB3 ARG A 122 114.894 3.793 19.147 1.00 0.00 H new ATOM 0 HG2 ARG A 122 116.649 5.725 17.600 1.00 0.00 H new ATOM 0 HG3 ARG A 122 116.263 5.727 19.309 1.00 0.00 H new ATOM 0 HD2 ARG A 122 117.567 3.420 19.384 1.00 0.00 H new ATOM 0 HD3 ARG A 122 118.221 3.908 17.833 1.00 0.00 H new ATOM 0 HE ARG A 122 118.406 6.221 19.546 1.00 0.00 H new ATOM 0 HH11 ARG A 122 119.010 3.751 21.390 1.00 0.00 H new ATOM 0 HH12 ARG A 122 120.774 3.728 21.300 1.00 0.00 H new ATOM 0 HH21 ARG A 122 120.905 5.831 18.509 1.00 0.00 H new ATOM 0 HH22 ARG A 122 121.838 4.896 19.683 1.00 0.00 H new ATOM 1885 N TYR A 123 113.906 2.602 15.900 1.00 0.00 N ATOM 1886 CA TYR A 123 112.729 1.871 15.352 1.00 0.00 C ATOM 1887 C TYR A 123 113.207 0.676 14.525 1.00 0.00 C ATOM 1888 O TYR A 123 112.545 -0.340 14.443 1.00 0.00 O ATOM 1889 CB TYR A 123 112.008 2.887 14.465 1.00 0.00 C ATOM 1890 CG TYR A 123 110.684 2.315 14.019 1.00 0.00 C ATOM 1891 CD1 TYR A 123 110.623 1.502 12.882 1.00 0.00 C ATOM 1892 CD2 TYR A 123 109.520 2.599 14.741 1.00 0.00 C ATOM 1893 CE1 TYR A 123 109.396 0.970 12.466 1.00 0.00 C ATOM 1894 CE2 TYR A 123 108.293 2.068 14.325 1.00 0.00 C ATOM 1895 CZ TYR A 123 108.231 1.253 13.189 1.00 0.00 C ATOM 1896 OH TYR A 123 107.022 0.730 12.778 1.00 0.00 O ATOM 0 H TYR A 123 114.116 3.489 15.442 1.00 0.00 H new ATOM 0 HA TYR A 123 112.075 1.483 16.133 1.00 0.00 H new ATOM 0 HB2 TYR A 123 111.849 3.816 15.013 1.00 0.00 H new ATOM 0 HB3 TYR A 123 112.622 3.129 13.598 1.00 0.00 H new ATOM 0 HD1 TYR A 123 111.522 1.285 12.325 1.00 0.00 H new ATOM 0 HD2 TYR A 123 109.568 3.227 15.618 1.00 0.00 H new ATOM 0 HE1 TYR A 123 109.349 0.342 11.589 1.00 0.00 H new ATOM 0 HE2 TYR A 123 107.394 2.288 14.881 1.00 0.00 H new ATOM 0 HH TYR A 123 107.146 -0.202 12.500 1.00 0.00 H new ATOM 1906 N LEU A 124 114.357 0.793 13.916 1.00 0.00 N ATOM 1907 CA LEU A 124 114.892 -0.333 13.096 1.00 0.00 C ATOM 1908 C LEU A 124 115.375 -1.462 14.010 1.00 0.00 C ATOM 1909 O LEU A 124 114.899 -2.576 13.938 1.00 0.00 O ATOM 1910 CB LEU A 124 116.067 0.261 12.318 1.00 0.00 C ATOM 1911 CG LEU A 124 115.550 0.982 11.071 1.00 0.00 C ATOM 1912 CD1 LEU A 124 116.712 1.691 10.374 1.00 0.00 C ATOM 1913 CD2 LEU A 124 114.927 -0.037 10.112 1.00 0.00 C ATOM 0 H LEU A 124 114.950 1.622 13.951 1.00 0.00 H new ATOM 0 HA LEU A 124 114.137 -0.755 12.432 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.619 0.957 12.950 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.762 -0.528 12.031 1.00 0.00 H new ATOM 0 HG LEU A 124 114.797 1.715 11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 124 116.345 2.205 9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 124 117.157 2.417 11.055 1.00 0.00 H new ATOM 0 HD13 LEU A 124 117.464 0.958 10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 124 114.559 0.477 9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 124 115.679 -0.770 9.821 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.099 -0.544 10.607 1.00 0.00 H new ATOM 1925 N HIS A 125 116.320 -1.179 14.870 1.00 0.00 N ATOM 1926 CA HIS A 125 116.837 -2.236 15.792 1.00 0.00 C ATOM 1927 C HIS A 125 115.684 -2.838 16.602 1.00 0.00 C ATOM 1928 O HIS A 125 115.727 -3.985 17.002 1.00 0.00 O ATOM 1929 CB HIS A 125 117.821 -1.515 16.719 1.00 0.00 C ATOM 1930 CG HIS A 125 119.187 -2.132 16.583 1.00 0.00 C ATOM 1931 ND1 HIS A 125 120.348 -1.416 16.826 1.00 0.00 N ATOM 1932 CD2 HIS A 125 119.592 -3.396 16.230 1.00 0.00 C ATOM 1933 CE1 HIS A 125 121.387 -2.246 16.618 1.00 0.00 C ATOM 1934 NE2 HIS A 125 120.981 -3.466 16.254 1.00 0.00 N ATOM 0 H HIS A 125 116.756 -0.263 14.974 1.00 0.00 H new ATOM 0 HA HIS A 125 117.313 -3.055 15.253 1.00 0.00 H new ATOM 0 HB2 HIS A 125 117.863 -0.455 16.468 1.00 0.00 H new ATOM 0 HB3 HIS A 125 117.481 -1.585 17.752 1.00 0.00 H new ATOM 0 HD2 HIS A 125 118.932 -4.212 15.973 1.00 0.00 H new ATOM 0 HE1 HIS A 125 122.422 -1.961 16.731 1.00 0.00 H new ATOM 0 HE2 HIS A 125 121.564 -4.275 16.040 1.00 0.00 H new ATOM 1942 N ALA A 126 114.654 -2.071 16.842 1.00 0.00 N ATOM 1943 CA ALA A 126 113.497 -2.592 17.624 1.00 0.00 C ATOM 1944 C ALA A 126 112.719 -3.619 16.798 1.00 0.00 C ATOM 1945 O ALA A 126 112.178 -4.572 17.323 1.00 0.00 O ATOM 1946 CB ALA A 126 112.629 -1.369 17.914 1.00 0.00 C ATOM 0 H ALA A 126 114.565 -1.104 16.529 1.00 0.00 H new ATOM 0 HA ALA A 126 113.811 -3.094 18.539 1.00 0.00 H new ATOM 0 HB1 ALA A 126 111.754 -1.672 18.489 1.00 0.00 H new ATOM 0 HB2 ALA A 126 113.205 -0.642 18.486 1.00 0.00 H new ATOM 0 HB3 ALA A 126 112.308 -0.919 16.974 1.00 0.00 H new ATOM 1952 N ALA A 127 112.659 -3.430 15.506 1.00 0.00 N ATOM 1953 CA ALA A 127 111.915 -4.393 14.644 1.00 0.00 C ATOM 1954 C ALA A 127 112.887 -5.369 13.971 1.00 0.00 C ATOM 1955 O ALA A 127 112.512 -6.451 13.565 1.00 0.00 O ATOM 1956 CB ALA A 127 111.212 -3.528 13.598 1.00 0.00 C ATOM 0 H ALA A 127 113.093 -2.651 15.011 1.00 0.00 H new ATOM 0 HA ALA A 127 111.209 -4.996 15.216 1.00 0.00 H new ATOM 0 HB1 ALA A 127 110.641 -4.165 12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 127 110.538 -2.831 14.096 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.955 -2.970 13.028 1.00 0.00 H new ATOM 1962 N THR A 128 114.133 -4.993 13.849 1.00 0.00 N ATOM 1963 CA THR A 128 115.128 -5.897 13.202 1.00 0.00 C ATOM 1964 C THR A 128 115.856 -6.734 14.261 1.00 0.00 C ATOM 1965 O THR A 128 116.890 -7.315 13.999 1.00 0.00 O ATOM 1966 CB THR A 128 116.111 -4.964 12.490 1.00 0.00 C ATOM 1967 OG1 THR A 128 116.760 -4.144 13.450 1.00 0.00 O ATOM 1968 CG2 THR A 128 115.360 -4.083 11.488 1.00 0.00 C ATOM 0 H THR A 128 114.504 -4.099 14.170 1.00 0.00 H new ATOM 0 HA THR A 128 114.657 -6.598 12.512 1.00 0.00 H new ATOM 0 HB THR A 128 116.851 -5.560 11.956 1.00 0.00 H new ATOM 0 HG1 THR A 128 116.096 -3.782 14.073 1.00 0.00 H new ATOM 0 HG21 THR A 128 116.065 -3.422 10.985 1.00 0.00 H new ATOM 0 HG22 THR A 128 114.864 -4.713 10.750 1.00 0.00 H new ATOM 0 HG23 THR A 128 114.615 -3.486 12.015 1.00 0.00 H new