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 HE2:sc= 0.857 K(o=1.8,f=-7.6!) USER MOD Set 1.2: A 123 TYR OH : rot 130:sc= 0.984 USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= -1.43! USER MOD Set 3.1: A 47 MET CE :methyl -138:sc= -0.503 (180deg=-1.74!) USER MOD Set 3.2: A 50 SER OG : rot 54:sc= 0.121 USER MOD Set 4.1: A 46 MET CE :methyl -169:sc= -10.3! (180deg=-9.59!) USER MOD Set 4.2: A 48 MET CE :methyl -120:sc= -5.34! (180deg=-8.64!) USER MOD Set 5.1: A 18 GLN : amide:sc= 0.0194 K(o=-0.8,f=-2.5!) USER MOD Set 5.2: A 21 THR OG1 : rot -169:sc= -0.824 USER MOD Single : A 12 THR OG1 : rot -49:sc= 0.607 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 33 ASN : amide:sc= -0.603 K(o=-0.6,f=-0.074) USER MOD Single : A 36 ASN : amide:sc= -1.71 X(o=-1.7,f=-2!) USER MOD Single : A 44 GLN : amide:sc= -2.33 K(o=-2.3,f=-3.6!) USER MOD Single : A 52 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.22) USER MOD Single : A 60 HIS : no HD1:sc= -8.21! C(o=-8.2!,f=-7.4!) USER MOD Single : A 65 ASN : amide:sc= 0.669 K(o=0.67,f=-11!) USER MOD Single : A 66 CYS SG : rot 147:sc= 0.00983 USER MOD Single : A 77 HIS : no HE2:sc= -9.75! C(o=-9.8!,f=-9.1!) USER MOD Single : A 87 THR OG1 : rot -166:sc= -2.89! USER MOD Single : A 101 CYS SG : rot -98:sc= -1.84 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -4.25 K(o=-4.2,f=-5.5!) USER MOD Single : A 125 HIS : no HD1:sc= -8.36! C(o=-8.4!,f=-6.9!) USER MOD Single : A 128 THR OG1 : rot 142:sc= -0.204 USER MOD ----------------------------------------------------------------- ATOM 150 N ASP A 7 106.221 1.978 -18.198 1.00 0.00 N ATOM 151 CA ASP A 7 106.039 0.811 -17.273 1.00 0.00 C ATOM 152 C ASP A 7 106.392 1.220 -15.836 1.00 0.00 C ATOM 153 O ASP A 7 105.526 1.532 -15.043 1.00 0.00 O ATOM 154 CB ASP A 7 106.989 -0.280 -17.780 1.00 0.00 C ATOM 155 CG ASP A 7 106.971 -1.466 -16.813 1.00 0.00 C ATOM 156 OD1 ASP A 7 105.889 -1.856 -16.406 1.00 0.00 O ATOM 157 OD2 ASP A 7 108.040 -1.964 -16.496 1.00 0.00 O ATOM 0 HA ASP A 7 105.008 0.458 -17.261 1.00 0.00 H new ATOM 0 HB2 ASP A 7 106.687 -0.605 -18.776 1.00 0.00 H new ATOM 0 HB3 ASP A 7 108.001 0.116 -17.867 1.00 0.00 H new ATOM 162 N ALA A 8 107.656 1.233 -15.502 1.00 0.00 N ATOM 163 CA ALA A 8 108.065 1.633 -14.126 1.00 0.00 C ATOM 164 C ALA A 8 108.245 3.154 -14.043 1.00 0.00 C ATOM 165 O ALA A 8 109.029 3.650 -13.258 1.00 0.00 O ATOM 166 CB ALA A 8 109.399 0.928 -13.888 1.00 0.00 C ATOM 0 H ALA A 8 108.423 0.983 -16.126 1.00 0.00 H new ATOM 0 HA ALA A 8 107.317 1.360 -13.381 1.00 0.00 H new ATOM 0 HB1 ALA A 8 109.767 1.173 -12.892 1.00 0.00 H new ATOM 0 HB2 ALA A 8 109.260 -0.150 -13.968 1.00 0.00 H new ATOM 0 HB3 ALA A 8 110.123 1.257 -14.634 1.00 0.00 H new ATOM 172 N GLY A 9 107.523 3.902 -14.842 1.00 0.00 N ATOM 173 CA GLY A 9 107.655 5.389 -14.794 1.00 0.00 C ATOM 174 C GLY A 9 107.433 5.857 -13.356 1.00 0.00 C ATOM 175 O GLY A 9 108.045 6.800 -12.893 1.00 0.00 O ATOM 0 H GLY A 9 106.851 3.547 -15.522 1.00 0.00 H new ATOM 0 HA2 GLY A 9 108.643 5.692 -15.141 1.00 0.00 H new ATOM 0 HA3 GLY A 9 106.927 5.854 -15.459 1.00 0.00 H new ATOM 179 N LEU A 10 106.568 5.186 -12.644 1.00 0.00 N ATOM 180 CA LEU A 10 106.304 5.562 -11.225 1.00 0.00 C ATOM 181 C LEU A 10 107.619 5.616 -10.443 1.00 0.00 C ATOM 182 O LEU A 10 107.753 6.351 -9.484 1.00 0.00 O ATOM 183 CB LEU A 10 105.401 4.452 -10.675 1.00 0.00 C ATOM 184 CG LEU A 10 106.048 3.080 -10.900 1.00 0.00 C ATOM 185 CD1 LEU A 10 107.008 2.759 -9.750 1.00 0.00 C ATOM 186 CD2 LEU A 10 104.953 2.013 -10.961 1.00 0.00 C ATOM 0 H LEU A 10 106.030 4.390 -12.986 1.00 0.00 H new ATOM 0 HA LEU A 10 105.838 6.544 -11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 10 105.227 4.609 -9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 10 104.429 4.488 -11.166 1.00 0.00 H new ATOM 0 HG LEU A 10 106.606 3.093 -11.836 1.00 0.00 H new ATOM 0 HD11 LEU A 10 107.463 1.783 -9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 10 107.787 3.520 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 10 106.457 2.746 -8.809 1.00 0.00 H new ATOM 0 HD21 LEU A 10 105.407 1.035 -11.121 1.00 0.00 H new ATOM 0 HD22 LEU A 10 104.398 2.007 -10.023 1.00 0.00 H new ATOM 0 HD23 LEU A 10 104.273 2.236 -11.783 1.00 0.00 H new ATOM 198 N ALA A 11 108.590 4.843 -10.850 1.00 0.00 N ATOM 199 CA ALA A 11 109.899 4.845 -10.136 1.00 0.00 C ATOM 200 C ALA A 11 110.754 6.027 -10.602 1.00 0.00 C ATOM 201 O ALA A 11 111.368 6.709 -9.806 1.00 0.00 O ATOM 202 CB ALA A 11 110.564 3.522 -10.517 1.00 0.00 C ATOM 0 H ALA A 11 108.533 4.209 -11.647 1.00 0.00 H new ATOM 0 HA ALA A 11 109.778 4.944 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 11 111.536 3.449 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 11 109.934 2.692 -10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 11 110.697 3.480 -11.598 1.00 0.00 H new ATOM 208 N THR A 12 110.798 6.274 -11.885 1.00 0.00 N ATOM 209 CA THR A 12 111.618 7.416 -12.395 1.00 0.00 C ATOM 210 C THR A 12 111.131 8.729 -11.769 1.00 0.00 C ATOM 211 O THR A 12 111.882 9.434 -11.122 1.00 0.00 O ATOM 212 CB THR A 12 111.404 7.430 -13.913 1.00 0.00 C ATOM 213 OG1 THR A 12 110.039 7.698 -14.195 1.00 0.00 O ATOM 214 CG2 THR A 12 111.792 6.071 -14.502 1.00 0.00 C ATOM 0 H THR A 12 110.305 5.738 -12.600 1.00 0.00 H new ATOM 0 HA THR A 12 112.673 7.310 -12.142 1.00 0.00 H new ATOM 0 HB THR A 12 112.027 8.205 -14.359 1.00 0.00 H new ATOM 0 HG1 THR A 12 109.472 7.111 -13.653 1.00 0.00 H new ATOM 0 HG21 THR A 12 111.638 6.085 -15.581 1.00 0.00 H new ATOM 0 HG22 THR A 12 112.841 5.868 -14.287 1.00 0.00 H new ATOM 0 HG23 THR A 12 111.173 5.292 -14.058 1.00 0.00 H new ATOM 222 N ALA A 13 109.879 9.056 -11.948 1.00 0.00 N ATOM 223 CA ALA A 13 109.341 10.317 -11.356 1.00 0.00 C ATOM 224 C ALA A 13 109.548 10.307 -9.840 1.00 0.00 C ATOM 225 O ALA A 13 109.799 11.328 -9.229 1.00 0.00 O ATOM 226 CB ALA A 13 107.852 10.314 -11.696 1.00 0.00 C ATOM 0 H ALA A 13 109.205 8.505 -12.479 1.00 0.00 H new ATOM 0 HA ALA A 13 109.840 11.205 -11.743 1.00 0.00 H new ATOM 0 HB1 ALA A 13 107.385 11.213 -11.293 1.00 0.00 H new ATOM 0 HB2 ALA A 13 107.726 10.294 -12.779 1.00 0.00 H new ATOM 0 HB3 ALA A 13 107.381 9.433 -11.259 1.00 0.00 H new ATOM 232 N ALA A 14 109.449 9.153 -9.233 1.00 0.00 N ATOM 233 CA ALA A 14 109.648 9.063 -7.758 1.00 0.00 C ATOM 234 C ALA A 14 111.087 9.448 -7.406 1.00 0.00 C ATOM 235 O ALA A 14 111.335 10.150 -6.444 1.00 0.00 O ATOM 236 CB ALA A 14 109.387 7.596 -7.404 1.00 0.00 C ATOM 0 H ALA A 14 109.239 8.269 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 14 108.987 9.734 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 14 109.515 7.452 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.369 7.329 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 14 110.091 6.961 -7.942 1.00 0.00 H new ATOM 242 N ALA A 15 112.039 8.995 -8.182 1.00 0.00 N ATOM 243 CA ALA A 15 113.465 9.335 -7.897 1.00 0.00 C ATOM 244 C ALA A 15 113.656 10.855 -7.912 1.00 0.00 C ATOM 245 O ALA A 15 114.491 11.393 -7.212 1.00 0.00 O ATOM 246 CB ALA A 15 114.266 8.679 -9.023 1.00 0.00 C ATOM 0 H ALA A 15 111.890 8.405 -9.000 1.00 0.00 H new ATOM 0 HA ALA A 15 113.786 8.984 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.327 8.885 -8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.100 7.602 -9.008 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.942 9.082 -9.983 1.00 0.00 H new ATOM 252 N ARG A 16 112.882 11.549 -8.703 1.00 0.00 N ATOM 253 CA ARG A 16 113.011 13.035 -8.763 1.00 0.00 C ATOM 254 C ARG A 16 112.191 13.692 -7.645 1.00 0.00 C ATOM 255 O ARG A 16 112.078 14.901 -7.579 1.00 0.00 O ATOM 256 CB ARG A 16 112.454 13.422 -10.133 1.00 0.00 C ATOM 257 CG ARG A 16 113.515 13.168 -11.206 1.00 0.00 C ATOM 258 CD ARG A 16 113.386 11.732 -11.723 1.00 0.00 C ATOM 259 NE ARG A 16 114.345 11.640 -12.862 1.00 0.00 N ATOM 260 CZ ARG A 16 114.529 10.504 -13.487 1.00 0.00 C ATOM 261 NH1 ARG A 16 114.158 9.376 -12.941 1.00 0.00 N ATOM 262 NH2 ARG A 16 115.090 10.497 -14.666 1.00 0.00 N ATOM 0 H ARG A 16 112.166 11.151 -9.311 1.00 0.00 H new ATOM 0 HA ARG A 16 114.042 13.364 -8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 16 111.557 12.842 -10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 16 112.163 14.472 -10.136 1.00 0.00 H new ATOM 0 HG2 ARG A 16 113.393 13.874 -12.028 1.00 0.00 H new ATOM 0 HG3 ARG A 16 114.511 13.329 -10.793 1.00 0.00 H new ATOM 0 HD2 ARG A 16 113.629 11.009 -10.944 1.00 0.00 H new ATOM 0 HD3 ARG A 16 112.367 11.520 -12.048 1.00 0.00 H new ATOM 0 HE ARG A 16 114.862 12.469 -13.156 1.00 0.00 H new ATOM 0 HH11 ARG A 16 113.721 9.375 -12.020 1.00 0.00 H new ATOM 0 HH12 ARG A 16 114.306 8.497 -13.436 1.00 0.00 H new ATOM 0 HH21 ARG A 16 115.383 11.374 -15.097 1.00 0.00 H new ATOM 0 HH22 ARG A 16 115.235 9.615 -15.156 1.00 0.00 H new ATOM 276 N GLY A 17 111.616 12.909 -6.769 1.00 0.00 N ATOM 277 CA GLY A 17 110.804 13.495 -5.664 1.00 0.00 C ATOM 278 C GLY A 17 109.538 14.123 -6.249 1.00 0.00 C ATOM 279 O GLY A 17 109.136 15.203 -5.863 1.00 0.00 O ATOM 0 H GLY A 17 111.674 11.891 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 17 110.541 12.723 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 17 111.384 14.247 -5.130 1.00 0.00 H new ATOM 283 N GLN A 18 108.911 13.455 -7.181 1.00 0.00 N ATOM 284 CA GLN A 18 107.671 14.013 -7.796 1.00 0.00 C ATOM 285 C GLN A 18 106.455 13.166 -7.410 1.00 0.00 C ATOM 286 O GLN A 18 105.932 12.413 -8.209 1.00 0.00 O ATOM 287 CB GLN A 18 107.910 13.946 -9.306 1.00 0.00 C ATOM 288 CG GLN A 18 109.123 14.805 -9.671 1.00 0.00 C ATOM 289 CD GLN A 18 109.232 14.923 -11.194 1.00 0.00 C ATOM 290 OE1 GLN A 18 108.530 14.248 -11.921 1.00 0.00 O ATOM 291 NE2 GLN A 18 110.091 15.760 -11.709 1.00 0.00 N ATOM 0 H GLN A 18 109.204 12.547 -7.543 1.00 0.00 H new ATOM 0 HA GLN A 18 107.469 15.029 -7.458 1.00 0.00 H new ATOM 0 HB2 GLN A 18 108.077 12.913 -9.613 1.00 0.00 H new ATOM 0 HB3 GLN A 18 107.028 14.298 -9.840 1.00 0.00 H new ATOM 0 HG2 GLN A 18 109.027 15.795 -9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 18 110.031 14.360 -9.265 1.00 0.00 H new ATOM 0 HE21 GLN A 18 110.680 16.326 -11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 18 110.173 15.848 -12.722 1.00 0.00 H new ATOM 300 N VAL A 19 105.995 13.290 -6.192 1.00 0.00 N ATOM 301 CA VAL A 19 104.806 12.497 -5.757 1.00 0.00 C ATOM 302 C VAL A 19 103.619 12.804 -6.678 1.00 0.00 C ATOM 303 O VAL A 19 102.851 11.930 -7.027 1.00 0.00 O ATOM 304 CB VAL A 19 104.534 12.954 -4.317 1.00 0.00 C ATOM 305 CG1 VAL A 19 103.159 12.461 -3.849 1.00 0.00 C ATOM 306 CG2 VAL A 19 105.616 12.378 -3.400 1.00 0.00 C ATOM 0 H VAL A 19 106.390 13.905 -5.481 1.00 0.00 H new ATOM 0 HA VAL A 19 104.969 11.420 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 19 104.548 14.043 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.982 12.794 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.386 12.866 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 19 103.131 11.372 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 19 105.431 12.697 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 19 105.594 11.289 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 106.594 12.737 -3.721 1.00 0.00 H new ATOM 316 N GLU A 20 103.472 14.039 -7.078 1.00 0.00 N ATOM 317 CA GLU A 20 102.341 14.402 -7.983 1.00 0.00 C ATOM 318 C GLU A 20 102.401 13.567 -9.265 1.00 0.00 C ATOM 319 O GLU A 20 101.419 12.985 -9.684 1.00 0.00 O ATOM 320 CB GLU A 20 102.548 15.882 -8.308 1.00 0.00 C ATOM 321 CG GLU A 20 102.408 16.713 -7.032 1.00 0.00 C ATOM 322 CD GLU A 20 102.327 18.196 -7.398 1.00 0.00 C ATOM 323 OE1 GLU A 20 103.190 18.654 -8.128 1.00 0.00 O ATOM 324 OE2 GLU A 20 101.402 18.848 -6.942 1.00 0.00 O ATOM 0 H GLU A 20 104.085 14.812 -6.818 1.00 0.00 H new ATOM 0 HA GLU A 20 101.371 14.215 -7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 20 103.534 16.034 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 20 101.817 16.208 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 20 101.514 16.413 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 20 103.259 16.535 -6.374 1.00 0.00 H new ATOM 331 N THR A 21 103.547 13.504 -9.889 1.00 0.00 N ATOM 332 CA THR A 21 103.672 12.707 -11.145 1.00 0.00 C ATOM 333 C THR A 21 103.506 11.216 -10.838 1.00 0.00 C ATOM 334 O THR A 21 102.888 10.485 -11.589 1.00 0.00 O ATOM 335 CB THR A 21 105.079 13.000 -11.670 1.00 0.00 C ATOM 336 OG1 THR A 21 105.411 14.356 -11.405 1.00 0.00 O ATOM 337 CG2 THR A 21 105.124 12.751 -13.178 1.00 0.00 C ATOM 0 H THR A 21 104.402 13.970 -9.584 1.00 0.00 H new ATOM 0 HA THR A 21 102.909 12.968 -11.878 1.00 0.00 H new ATOM 0 HB THR A 21 105.795 12.346 -11.172 1.00 0.00 H new ATOM 0 HG1 THR A 21 106.230 14.593 -11.888 1.00 0.00 H new ATOM 0 HG21 THR A 21 106.126 12.960 -13.552 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.870 11.711 -13.383 1.00 0.00 H new ATOM 0 HG23 THR A 21 104.408 13.404 -13.676 1.00 0.00 H new ATOM 345 N VAL A 22 104.048 10.763 -9.740 1.00 0.00 N ATOM 346 CA VAL A 22 103.915 9.318 -9.383 1.00 0.00 C ATOM 347 C VAL A 22 102.464 9.011 -8.998 1.00 0.00 C ATOM 348 O VAL A 22 101.981 7.912 -9.188 1.00 0.00 O ATOM 349 CB VAL A 22 104.847 9.110 -8.187 1.00 0.00 C ATOM 350 CG1 VAL A 22 104.799 7.645 -7.749 1.00 0.00 C ATOM 351 CG2 VAL A 22 106.280 9.472 -8.584 1.00 0.00 C ATOM 0 H VAL A 22 104.576 11.328 -9.075 1.00 0.00 H new ATOM 0 HA VAL A 22 104.175 8.660 -10.212 1.00 0.00 H new ATOM 0 HB VAL A 22 104.524 9.748 -7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 22 105.463 7.498 -6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 22 103.780 7.384 -7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 22 105.120 7.008 -8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 22 106.942 9.323 -7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 22 106.601 8.835 -9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 22 106.319 10.516 -8.896 1.00 0.00 H new ATOM 361 N ARG A 23 101.769 9.978 -8.461 1.00 0.00 N ATOM 362 CA ARG A 23 100.348 9.753 -8.063 1.00 0.00 C ATOM 363 C ARG A 23 99.477 9.559 -9.306 1.00 0.00 C ATOM 364 O ARG A 23 98.504 8.830 -9.287 1.00 0.00 O ATOM 365 CB ARG A 23 99.939 11.029 -7.323 1.00 0.00 C ATOM 366 CG ARG A 23 100.500 11.000 -5.900 1.00 0.00 C ATOM 367 CD ARG A 23 99.627 10.098 -5.026 1.00 0.00 C ATOM 368 NE ARG A 23 99.727 10.674 -3.657 1.00 0.00 N ATOM 369 CZ ARG A 23 99.835 9.883 -2.625 1.00 0.00 C ATOM 370 NH1 ARG A 23 99.051 8.846 -2.514 1.00 0.00 N ATOM 371 NH2 ARG A 23 100.727 10.129 -1.704 1.00 0.00 N ATOM 0 H ARG A 23 102.125 10.917 -8.280 1.00 0.00 H new ATOM 0 HA ARG A 23 100.228 8.863 -7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 23 100.312 11.905 -7.854 1.00 0.00 H new ATOM 0 HB3 ARG A 23 98.853 11.113 -7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 23 101.526 10.632 -5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 23 100.527 12.009 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 23 98.595 10.089 -5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 23 99.980 9.067 -5.047 1.00 0.00 H new ATOM 0 HE ARG A 23 99.711 11.685 -3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 23 98.354 8.654 -3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 23 99.135 8.227 -1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 23 101.340 10.940 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 23 100.811 9.510 -0.897 1.00 0.00 H new ATOM 385 N GLN A 24 99.817 10.211 -10.385 1.00 0.00 N ATOM 386 CA GLN A 24 99.010 10.075 -11.631 1.00 0.00 C ATOM 387 C GLN A 24 99.358 8.774 -12.358 1.00 0.00 C ATOM 388 O GLN A 24 98.493 7.986 -12.683 1.00 0.00 O ATOM 389 CB GLN A 24 99.392 11.285 -12.484 1.00 0.00 C ATOM 390 CG GLN A 24 98.934 12.567 -11.787 1.00 0.00 C ATOM 391 CD GLN A 24 99.163 13.766 -12.712 1.00 0.00 C ATOM 392 OE1 GLN A 24 99.439 13.601 -13.884 1.00 0.00 O ATOM 393 NE2 GLN A 24 99.058 14.974 -12.231 1.00 0.00 N ATOM 0 H GLN A 24 100.622 10.834 -10.457 1.00 0.00 H new ATOM 0 HA GLN A 24 97.940 10.041 -11.424 1.00 0.00 H new ATOM 0 HB2 GLN A 24 100.471 11.308 -12.638 1.00 0.00 H new ATOM 0 HB3 GLN A 24 98.931 11.209 -13.469 1.00 0.00 H new ATOM 0 HG2 GLN A 24 97.878 12.493 -11.525 1.00 0.00 H new ATOM 0 HG3 GLN A 24 99.484 12.703 -10.856 1.00 0.00 H new ATOM 0 HE21 GLN A 24 98.826 15.113 -11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 24 99.208 15.780 -12.838 1.00 0.00 H new ATOM 402 N LEU A 25 100.618 8.544 -12.618 1.00 0.00 N ATOM 403 CA LEU A 25 101.024 7.293 -13.331 1.00 0.00 C ATOM 404 C LEU A 25 100.432 6.060 -12.637 1.00 0.00 C ATOM 405 O LEU A 25 99.762 5.254 -13.254 1.00 0.00 O ATOM 406 CB LEU A 25 102.554 7.264 -13.253 1.00 0.00 C ATOM 407 CG LEU A 25 103.136 6.939 -14.633 1.00 0.00 C ATOM 408 CD1 LEU A 25 104.664 6.975 -14.564 1.00 0.00 C ATOM 409 CD2 LEU A 25 102.679 5.544 -15.066 1.00 0.00 C ATOM 0 H LEU A 25 101.385 9.168 -12.368 1.00 0.00 H new ATOM 0 HA LEU A 25 100.666 7.279 -14.360 1.00 0.00 H new ATOM 0 HB2 LEU A 25 102.928 8.228 -12.908 1.00 0.00 H new ATOM 0 HB3 LEU A 25 102.877 6.518 -12.527 1.00 0.00 H new ATOM 0 HG LEU A 25 102.787 7.676 -15.356 1.00 0.00 H new ATOM 0 HD11 LEU A 25 105.078 6.744 -15.545 1.00 0.00 H new ATOM 0 HD12 LEU A 25 104.991 7.968 -14.257 1.00 0.00 H new ATOM 0 HD13 LEU A 25 105.013 6.238 -13.840 1.00 0.00 H new ATOM 0 HD21 LEU A 25 103.093 5.314 -16.048 1.00 0.00 H new ATOM 0 HD22 LEU A 25 103.027 4.806 -14.343 1.00 0.00 H new ATOM 0 HD23 LEU A 25 101.590 5.517 -15.116 1.00 0.00 H new ATOM 421 N LEU A 26 100.673 5.906 -11.362 1.00 0.00 N ATOM 422 CA LEU A 26 100.123 4.722 -10.633 1.00 0.00 C ATOM 423 C LEU A 26 98.603 4.649 -10.802 1.00 0.00 C ATOM 424 O LEU A 26 98.074 3.697 -11.342 1.00 0.00 O ATOM 425 CB LEU A 26 100.481 4.950 -9.161 1.00 0.00 C ATOM 426 CG LEU A 26 100.833 3.614 -8.492 1.00 0.00 C ATOM 427 CD1 LEU A 26 99.774 2.561 -8.831 1.00 0.00 C ATOM 428 CD2 LEU A 26 102.199 3.139 -8.993 1.00 0.00 C ATOM 0 H LEU A 26 101.226 6.547 -10.793 1.00 0.00 H new ATOM 0 HA LEU A 26 100.533 3.786 -11.013 1.00 0.00 H new ATOM 0 HB2 LEU A 26 101.324 5.637 -9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 26 99.643 5.416 -8.643 1.00 0.00 H new ATOM 0 HG LEU A 26 100.864 3.754 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 26 100.033 1.617 -8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 26 98.801 2.895 -8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 26 99.734 2.420 -9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 26 102.451 2.190 -8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 26 102.164 3.006 -10.074 1.00 0.00 H new ATOM 0 HD23 LEU A 26 102.957 3.882 -8.743 1.00 0.00 H new ATOM 440 N GLU A 27 97.898 5.647 -10.341 1.00 0.00 N ATOM 441 CA GLU A 27 96.411 5.638 -10.468 1.00 0.00 C ATOM 442 C GLU A 27 96.001 5.575 -11.944 1.00 0.00 C ATOM 443 O GLU A 27 94.917 5.137 -12.278 1.00 0.00 O ATOM 444 CB GLU A 27 95.951 6.953 -9.838 1.00 0.00 C ATOM 445 CG GLU A 27 96.082 6.861 -8.315 1.00 0.00 C ATOM 446 CD GLU A 27 94.906 6.066 -7.747 1.00 0.00 C ATOM 447 OE1 GLU A 27 94.943 4.849 -7.834 1.00 0.00 O ATOM 448 OE2 GLU A 27 93.988 6.686 -7.237 1.00 0.00 O ATOM 0 H GLU A 27 98.288 6.470 -9.881 1.00 0.00 H new ATOM 0 HA GLU A 27 95.962 4.773 -9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 27 96.552 7.780 -10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 27 94.917 7.159 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 27 97.023 6.379 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 27 96.102 7.860 -7.880 1.00 0.00 H new ATOM 455 N ALA A 28 96.859 6.010 -12.830 1.00 0.00 N ATOM 456 CA ALA A 28 96.516 5.975 -14.283 1.00 0.00 C ATOM 457 C ALA A 28 96.548 4.534 -14.802 1.00 0.00 C ATOM 458 O ALA A 28 95.549 4.008 -15.253 1.00 0.00 O ATOM 459 CB ALA A 28 97.591 6.818 -14.970 1.00 0.00 C ATOM 0 H ALA A 28 97.781 6.387 -12.611 1.00 0.00 H new ATOM 0 HA ALA A 28 95.515 6.359 -14.477 1.00 0.00 H new ATOM 0 HB1 ALA A 28 97.406 6.839 -16.044 1.00 0.00 H new ATOM 0 HB2 ALA A 28 97.563 7.834 -14.577 1.00 0.00 H new ATOM 0 HB3 ALA A 28 98.572 6.382 -14.780 1.00 0.00 H new ATOM 465 N GLY A 29 97.686 3.893 -14.744 1.00 0.00 N ATOM 466 CA GLY A 29 97.779 2.498 -15.231 1.00 0.00 C ATOM 467 C GLY A 29 99.225 2.006 -15.136 1.00 0.00 C ATOM 468 O GLY A 29 99.774 1.478 -16.083 1.00 0.00 O ATOM 0 H GLY A 29 98.555 4.283 -14.378 1.00 0.00 H new ATOM 0 HA2 GLY A 29 97.127 1.854 -14.641 1.00 0.00 H new ATOM 0 HA3 GLY A 29 97.434 2.441 -16.263 1.00 0.00 H new ATOM 472 N ALA A 30 99.846 2.174 -13.999 1.00 0.00 N ATOM 473 CA ALA A 30 101.258 1.715 -13.844 1.00 0.00 C ATOM 474 C ALA A 30 101.303 0.388 -13.081 1.00 0.00 C ATOM 475 O ALA A 30 100.635 0.214 -12.081 1.00 0.00 O ATOM 476 CB ALA A 30 101.945 2.815 -13.037 1.00 0.00 C ATOM 0 H ALA A 30 99.438 2.609 -13.172 1.00 0.00 H new ATOM 0 HA ALA A 30 101.744 1.547 -14.805 1.00 0.00 H new ATOM 0 HB1 ALA A 30 102.991 2.552 -12.880 1.00 0.00 H new ATOM 0 HB2 ALA A 30 101.886 3.757 -13.582 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.449 2.922 -12.072 1.00 0.00 H new ATOM 482 N ASP A 31 102.089 -0.547 -13.545 1.00 0.00 N ATOM 483 CA ASP A 31 102.179 -1.859 -12.842 1.00 0.00 C ATOM 484 C ASP A 31 102.789 -1.661 -11.448 1.00 0.00 C ATOM 485 O ASP A 31 103.710 -0.885 -11.284 1.00 0.00 O ATOM 486 CB ASP A 31 103.097 -2.718 -13.714 1.00 0.00 C ATOM 487 CG ASP A 31 102.771 -4.198 -13.502 1.00 0.00 C ATOM 488 OD1 ASP A 31 101.865 -4.685 -14.159 1.00 0.00 O ATOM 489 OD2 ASP A 31 103.432 -4.820 -12.686 1.00 0.00 O ATOM 0 H ASP A 31 102.671 -0.459 -14.378 1.00 0.00 H new ATOM 0 HA ASP A 31 101.203 -2.325 -12.704 1.00 0.00 H new ATOM 0 HB2 ASP A 31 102.969 -2.454 -14.764 1.00 0.00 H new ATOM 0 HB3 ASP A 31 104.140 -2.525 -13.461 1.00 0.00 H new ATOM 494 N PRO A 32 102.254 -2.366 -10.484 1.00 0.00 N ATOM 495 CA PRO A 32 102.759 -2.251 -9.094 1.00 0.00 C ATOM 496 C PRO A 32 104.099 -2.982 -8.932 1.00 0.00 C ATOM 497 O PRO A 32 104.700 -2.956 -7.876 1.00 0.00 O ATOM 498 CB PRO A 32 101.673 -2.930 -8.264 1.00 0.00 C ATOM 499 CG PRO A 32 100.999 -3.882 -9.201 1.00 0.00 C ATOM 500 CD PRO A 32 101.144 -3.322 -10.591 1.00 0.00 C ATOM 0 HA PRO A 32 102.944 -1.219 -8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 32 102.101 -3.455 -7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 32 100.966 -2.201 -7.868 1.00 0.00 H new ATOM 0 HG2 PRO A 32 101.453 -4.871 -9.136 1.00 0.00 H new ATOM 0 HG3 PRO A 32 99.947 -3.997 -8.941 1.00 0.00 H new ATOM 0 HD2 PRO A 32 101.363 -4.107 -11.315 1.00 0.00 H new ATOM 0 HD3 PRO A 32 100.228 -2.832 -10.920 1.00 0.00 H new ATOM 508 N ASN A 33 104.572 -3.640 -9.962 1.00 0.00 N ATOM 509 CA ASN A 33 105.868 -4.373 -9.842 1.00 0.00 C ATOM 510 C ASN A 33 106.804 -4.036 -11.011 1.00 0.00 C ATOM 511 O ASN A 33 107.760 -4.742 -11.265 1.00 0.00 O ATOM 512 CB ASN A 33 105.486 -5.853 -9.875 1.00 0.00 C ATOM 513 CG ASN A 33 104.631 -6.190 -8.651 1.00 0.00 C ATOM 514 OD1 ASN A 33 103.589 -6.803 -8.776 1.00 0.00 O ATOM 515 ND2 ASN A 33 105.030 -5.817 -7.466 1.00 0.00 N ATOM 0 H ASN A 33 104.120 -3.701 -10.874 1.00 0.00 H new ATOM 0 HA ASN A 33 106.403 -4.101 -8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 33 104.935 -6.076 -10.789 1.00 0.00 H new ATOM 0 HB3 ASN A 33 106.384 -6.471 -9.885 1.00 0.00 H new ATOM 0 HD21 ASN A 33 104.467 -6.040 -6.645 1.00 0.00 H new ATOM 0 HD22 ASN A 33 105.904 -5.303 -7.361 1.00 0.00 H new ATOM 522 N ALA A 34 106.548 -2.966 -11.719 1.00 0.00 N ATOM 523 CA ALA A 34 107.445 -2.602 -12.859 1.00 0.00 C ATOM 524 C ALA A 34 108.836 -2.246 -12.325 1.00 0.00 C ATOM 525 O ALA A 34 109.099 -1.120 -11.950 1.00 0.00 O ATOM 526 CB ALA A 34 106.789 -1.387 -13.521 1.00 0.00 C ATOM 0 H ALA A 34 105.764 -2.333 -11.560 1.00 0.00 H new ATOM 0 HA ALA A 34 107.571 -3.420 -13.568 1.00 0.00 H new ATOM 0 HB1 ALA A 34 107.394 -1.064 -14.368 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.792 -1.656 -13.869 1.00 0.00 H new ATOM 0 HB3 ALA A 34 106.714 -0.575 -12.798 1.00 0.00 H new ATOM 532 N LEU A 35 109.727 -3.203 -12.281 1.00 0.00 N ATOM 533 CA LEU A 35 111.105 -2.934 -11.763 1.00 0.00 C ATOM 534 C LEU A 35 111.727 -1.725 -12.469 1.00 0.00 C ATOM 535 O LEU A 35 111.183 -1.198 -13.419 1.00 0.00 O ATOM 536 CB LEU A 35 111.903 -4.200 -12.083 1.00 0.00 C ATOM 537 CG LEU A 35 111.994 -5.082 -10.836 1.00 0.00 C ATOM 538 CD1 LEU A 35 112.657 -6.412 -11.201 1.00 0.00 C ATOM 539 CD2 LEU A 35 112.833 -4.373 -9.769 1.00 0.00 C ATOM 0 H LEU A 35 109.560 -4.163 -12.582 1.00 0.00 H new ATOM 0 HA LEU A 35 111.098 -2.706 -10.697 1.00 0.00 H new ATOM 0 HB2 LEU A 35 111.423 -4.748 -12.894 1.00 0.00 H new ATOM 0 HB3 LEU A 35 112.903 -3.934 -12.426 1.00 0.00 H new ATOM 0 HG LEU A 35 110.992 -5.267 -10.448 1.00 0.00 H new ATOM 0 HD11 LEU A 35 112.723 -7.041 -10.314 1.00 0.00 H new ATOM 0 HD12 LEU A 35 112.063 -6.918 -11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 35 113.659 -6.225 -11.588 1.00 0.00 H new ATOM 0 HD21 LEU A 35 112.898 -5.001 -8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 35 113.835 -4.189 -10.157 1.00 0.00 H new ATOM 0 HD23 LEU A 35 112.364 -3.424 -9.509 1.00 0.00 H new ATOM 551 N ASN A 36 112.868 -1.286 -12.006 1.00 0.00 N ATOM 552 CA ASN A 36 113.536 -0.114 -12.642 1.00 0.00 C ATOM 553 C ASN A 36 114.699 -0.585 -13.522 1.00 0.00 C ATOM 554 O ASN A 36 114.790 -1.743 -13.878 1.00 0.00 O ATOM 555 CB ASN A 36 114.051 0.727 -11.472 1.00 0.00 C ATOM 556 CG ASN A 36 113.982 2.210 -11.838 1.00 0.00 C ATOM 557 OD1 ASN A 36 113.062 2.642 -12.503 1.00 0.00 O ATOM 558 ND2 ASN A 36 114.924 3.014 -11.428 1.00 0.00 N ATOM 0 H ASN A 36 113.366 -1.690 -11.213 1.00 0.00 H new ATOM 0 HA ASN A 36 112.862 0.452 -13.284 1.00 0.00 H new ATOM 0 HB2 ASN A 36 113.454 0.534 -10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 36 115.077 0.448 -11.234 1.00 0.00 H new ATOM 0 HD21 ASN A 36 114.888 4.005 -11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 36 115.697 2.651 -10.870 1.00 0.00 H new ATOM 565 N ARG A 37 115.588 0.306 -13.874 1.00 0.00 N ATOM 566 CA ARG A 37 116.745 -0.090 -14.732 1.00 0.00 C ATOM 567 C ARG A 37 117.973 -0.389 -13.868 1.00 0.00 C ATOM 568 O ARG A 37 118.887 -1.067 -14.293 1.00 0.00 O ATOM 569 CB ARG A 37 117.004 1.119 -15.629 1.00 0.00 C ATOM 570 CG ARG A 37 116.012 1.109 -16.793 1.00 0.00 C ATOM 571 CD ARG A 37 114.671 1.677 -16.325 1.00 0.00 C ATOM 572 NE ARG A 37 114.088 2.329 -17.530 1.00 0.00 N ATOM 573 CZ ARG A 37 113.448 3.460 -17.416 1.00 0.00 C ATOM 574 NH1 ARG A 37 114.038 4.491 -16.877 1.00 0.00 N ATOM 575 NH2 ARG A 37 112.218 3.559 -17.839 1.00 0.00 N ATOM 0 H ARG A 37 115.564 1.290 -13.605 1.00 0.00 H new ATOM 0 HA ARG A 37 116.539 -0.991 -15.309 1.00 0.00 H new ATOM 0 HB2 ARG A 37 116.900 2.040 -15.056 1.00 0.00 H new ATOM 0 HB3 ARG A 37 118.026 1.093 -16.007 1.00 0.00 H new ATOM 0 HG2 ARG A 37 116.401 1.701 -17.621 1.00 0.00 H new ATOM 0 HG3 ARG A 37 115.879 0.092 -17.163 1.00 0.00 H new ATOM 0 HD2 ARG A 37 114.019 0.889 -15.948 1.00 0.00 H new ATOM 0 HD3 ARG A 37 114.807 2.394 -15.515 1.00 0.00 H new ATOM 0 HE ARG A 37 114.189 1.891 -18.446 1.00 0.00 H new ATOM 0 HH11 ARG A 37 114.999 4.413 -16.545 1.00 0.00 H new ATOM 0 HH12 ARG A 37 113.538 5.376 -16.788 1.00 0.00 H new ATOM 0 HH21 ARG A 37 111.757 2.752 -18.259 1.00 0.00 H new ATOM 0 HH22 ARG A 37 111.718 4.443 -17.750 1.00 0.00 H new ATOM 589 N PHE A 38 118.002 0.107 -12.661 1.00 0.00 N ATOM 590 CA PHE A 38 119.174 -0.155 -11.774 1.00 0.00 C ATOM 591 C PHE A 38 118.877 -1.348 -10.862 1.00 0.00 C ATOM 592 O PHE A 38 119.321 -1.401 -9.732 1.00 0.00 O ATOM 593 CB PHE A 38 119.356 1.119 -10.940 1.00 0.00 C ATOM 594 CG PHE A 38 119.152 2.344 -11.803 1.00 0.00 C ATOM 595 CD1 PHE A 38 119.875 2.493 -12.993 1.00 0.00 C ATOM 596 CD2 PHE A 38 118.237 3.328 -11.412 1.00 0.00 C ATOM 597 CE1 PHE A 38 119.681 3.626 -13.792 1.00 0.00 C ATOM 598 CE2 PHE A 38 118.044 4.462 -12.210 1.00 0.00 C ATOM 599 CZ PHE A 38 118.766 4.611 -13.400 1.00 0.00 C ATOM 0 H PHE A 38 117.266 0.682 -12.250 1.00 0.00 H new ATOM 0 HA PHE A 38 120.073 -0.392 -12.344 1.00 0.00 H new ATOM 0 HB2 PHE A 38 118.645 1.125 -10.113 1.00 0.00 H new ATOM 0 HB3 PHE A 38 120.354 1.136 -10.502 1.00 0.00 H new ATOM 0 HD1 PHE A 38 120.582 1.734 -13.294 1.00 0.00 H new ATOM 0 HD2 PHE A 38 117.679 3.213 -10.494 1.00 0.00 H new ATOM 0 HE1 PHE A 38 120.237 3.740 -14.711 1.00 0.00 H new ATOM 0 HE2 PHE A 38 117.338 5.222 -11.908 1.00 0.00 H new ATOM 0 HZ PHE A 38 118.617 5.486 -14.016 1.00 0.00 H new ATOM 609 N GLY A 39 118.125 -2.305 -11.345 1.00 0.00 N ATOM 610 CA GLY A 39 117.790 -3.496 -10.514 1.00 0.00 C ATOM 611 C GLY A 39 117.213 -3.041 -9.171 1.00 0.00 C ATOM 612 O GLY A 39 117.297 -3.740 -8.180 1.00 0.00 O ATOM 0 H GLY A 39 117.728 -2.310 -12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 39 117.069 -4.125 -11.036 1.00 0.00 H new ATOM 0 HA3 GLY A 39 118.682 -4.101 -10.352 1.00 0.00 H new ATOM 616 N ARG A 40 116.627 -1.874 -9.134 1.00 0.00 N ATOM 617 CA ARG A 40 116.045 -1.368 -7.859 1.00 0.00 C ATOM 618 C ARG A 40 114.524 -1.532 -7.871 1.00 0.00 C ATOM 619 O ARG A 40 113.917 -1.721 -8.907 1.00 0.00 O ATOM 620 CB ARG A 40 116.423 0.112 -7.812 1.00 0.00 C ATOM 621 CG ARG A 40 116.636 0.542 -6.358 1.00 0.00 C ATOM 622 CD ARG A 40 118.125 0.452 -6.008 1.00 0.00 C ATOM 623 NE ARG A 40 118.810 1.379 -6.956 1.00 0.00 N ATOM 624 CZ ARG A 40 118.599 2.670 -6.893 1.00 0.00 C ATOM 625 NH1 ARG A 40 118.335 3.239 -5.748 1.00 0.00 N ATOM 626 NH2 ARG A 40 118.656 3.392 -7.979 1.00 0.00 N ATOM 0 H ARG A 40 116.527 -1.249 -9.934 1.00 0.00 H new ATOM 0 HA ARG A 40 116.417 -1.912 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 40 117.331 0.284 -8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 40 115.636 0.713 -8.268 1.00 0.00 H new ATOM 0 HG2 ARG A 40 116.279 1.562 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 40 116.056 -0.096 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 40 118.304 0.745 -4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 40 118.494 -0.568 -6.119 1.00 0.00 H new ATOM 0 HE ARG A 40 119.447 1.004 -7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 40 118.292 2.678 -4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 40 118.171 4.245 -5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 40 118.865 2.951 -8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 40 118.492 4.398 -7.932 1.00 0.00 H new ATOM 640 N ARG A 41 113.907 -1.459 -6.725 1.00 0.00 N ATOM 641 CA ARG A 41 112.424 -1.608 -6.655 1.00 0.00 C ATOM 642 C ARG A 41 111.744 -0.282 -7.024 1.00 0.00 C ATOM 643 O ARG A 41 112.411 0.692 -7.308 1.00 0.00 O ATOM 644 CB ARG A 41 112.141 -1.982 -5.198 1.00 0.00 C ATOM 645 CG ARG A 41 111.675 -3.437 -5.126 1.00 0.00 C ATOM 646 CD ARG A 41 112.883 -4.352 -4.909 1.00 0.00 C ATOM 647 NE ARG A 41 113.429 -4.605 -6.272 1.00 0.00 N ATOM 648 CZ ARG A 41 114.135 -5.678 -6.505 1.00 0.00 C ATOM 649 NH1 ARG A 41 113.572 -6.853 -6.465 1.00 0.00 N ATOM 650 NH2 ARG A 41 115.408 -5.574 -6.780 1.00 0.00 N ATOM 0 H ARG A 41 114.367 -1.302 -5.828 1.00 0.00 H new ATOM 0 HA ARG A 41 112.042 -2.358 -7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 41 113.039 -1.846 -4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 41 111.377 -1.324 -4.784 1.00 0.00 H new ATOM 0 HG2 ARG A 41 110.961 -3.561 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 41 111.159 -3.710 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 41 113.627 -3.878 -4.268 1.00 0.00 H new ATOM 0 HD3 ARG A 41 112.590 -5.283 -4.423 1.00 0.00 H new ATOM 0 HE ARG A 41 113.251 -3.939 -7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 41 112.578 -6.935 -6.251 1.00 0.00 H new ATOM 0 HH12 ARG A 41 114.125 -7.690 -6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 41 115.849 -4.655 -6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 41 115.961 -6.412 -6.962 1.00 0.00 H new ATOM 664 N PRO A 42 110.431 -0.285 -7.012 1.00 0.00 N ATOM 665 CA PRO A 42 109.671 0.944 -7.358 1.00 0.00 C ATOM 666 C PRO A 42 109.825 2.008 -6.267 1.00 0.00 C ATOM 667 O PRO A 42 109.707 3.190 -6.524 1.00 0.00 O ATOM 668 CB PRO A 42 108.226 0.459 -7.453 1.00 0.00 C ATOM 669 CG PRO A 42 108.175 -0.771 -6.607 1.00 0.00 C ATOM 670 CD PRO A 42 109.538 -1.407 -6.684 1.00 0.00 C ATOM 0 HA PRO A 42 110.019 1.413 -8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 42 107.531 1.216 -7.091 1.00 0.00 H new ATOM 0 HB3 PRO A 42 107.950 0.240 -8.485 1.00 0.00 H new ATOM 0 HG2 PRO A 42 107.922 -0.522 -5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 42 107.407 -1.456 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 42 109.815 -1.876 -5.740 1.00 0.00 H new ATOM 0 HD3 PRO A 42 109.574 -2.184 -7.448 1.00 0.00 H new ATOM 678 N ILE A 43 110.095 1.604 -5.055 1.00 0.00 N ATOM 679 CA ILE A 43 110.264 2.604 -3.959 1.00 0.00 C ATOM 680 C ILE A 43 111.753 2.800 -3.659 1.00 0.00 C ATOM 681 O ILE A 43 112.193 3.881 -3.336 1.00 0.00 O ATOM 682 CB ILE A 43 109.531 2.009 -2.750 1.00 0.00 C ATOM 683 CG1 ILE A 43 108.027 2.254 -2.909 1.00 0.00 C ATOM 684 CG2 ILE A 43 110.023 2.679 -1.461 1.00 0.00 C ATOM 685 CD1 ILE A 43 107.284 1.753 -1.669 1.00 0.00 C ATOM 0 H ILE A 43 110.206 0.629 -4.776 1.00 0.00 H new ATOM 0 HA ILE A 43 109.863 3.583 -4.222 1.00 0.00 H new ATOM 0 HB ILE A 43 109.730 0.939 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 43 107.836 3.317 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 43 107.658 1.741 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 43 109.499 2.252 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 43 111.094 2.512 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 43 109.826 3.750 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 43 106.215 1.930 -1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 43 107.463 0.685 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 43 107.644 2.286 -0.789 1.00 0.00 H new ATOM 697 N GLN A 44 112.532 1.762 -3.764 1.00 0.00 N ATOM 698 CA GLN A 44 113.991 1.898 -3.483 1.00 0.00 C ATOM 699 C GLN A 44 114.609 3.010 -4.340 1.00 0.00 C ATOM 700 O GLN A 44 115.683 3.500 -4.050 1.00 0.00 O ATOM 701 CB GLN A 44 114.586 0.539 -3.842 1.00 0.00 C ATOM 702 CG GLN A 44 114.131 -0.498 -2.814 1.00 0.00 C ATOM 703 CD GLN A 44 115.009 -1.746 -2.916 1.00 0.00 C ATOM 704 OE1 GLN A 44 116.093 -1.699 -3.462 1.00 0.00 O ATOM 705 NE2 GLN A 44 114.582 -2.869 -2.409 1.00 0.00 N ATOM 0 H GLN A 44 112.225 0.827 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 44 114.187 2.169 -2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 44 114.267 0.242 -4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 44 115.674 0.598 -3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 44 114.193 -0.079 -1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 44 113.087 -0.761 -2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 44 113.672 -2.908 -1.951 1.00 0.00 H new ATOM 0 HE22 GLN A 44 115.158 -3.708 -2.471 1.00 0.00 H new ATOM 714 N VAL A 45 113.942 3.416 -5.392 1.00 0.00 N ATOM 715 CA VAL A 45 114.502 4.496 -6.258 1.00 0.00 C ATOM 716 C VAL A 45 113.609 5.746 -6.208 1.00 0.00 C ATOM 717 O VAL A 45 113.583 6.534 -7.132 1.00 0.00 O ATOM 718 CB VAL A 45 114.529 3.900 -7.669 1.00 0.00 C ATOM 719 CG1 VAL A 45 113.099 3.663 -8.165 1.00 0.00 C ATOM 720 CG2 VAL A 45 115.242 4.868 -8.616 1.00 0.00 C ATOM 0 H VAL A 45 113.038 3.047 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 45 115.493 4.812 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 45 115.061 2.949 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 45 113.128 3.239 -9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 45 112.591 2.971 -7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 45 112.560 4.610 -8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 45 115.262 4.446 -9.621 1.00 0.00 H new ATOM 0 HG22 VAL A 45 114.710 5.819 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 45 116.263 5.030 -8.270 1.00 0.00 H new ATOM 730 N MET A 46 112.885 5.936 -5.135 1.00 0.00 N ATOM 731 CA MET A 46 112.004 7.140 -5.031 1.00 0.00 C ATOM 732 C MET A 46 112.723 8.257 -4.270 1.00 0.00 C ATOM 733 O MET A 46 112.108 9.038 -3.571 1.00 0.00 O ATOM 734 CB MET A 46 110.767 6.672 -4.258 1.00 0.00 C ATOM 735 CG MET A 46 111.166 6.228 -2.845 1.00 0.00 C ATOM 736 SD MET A 46 110.614 7.451 -1.632 1.00 0.00 S ATOM 737 CE MET A 46 110.489 6.318 -0.225 1.00 0.00 C ATOM 0 H MET A 46 112.865 5.312 -4.328 1.00 0.00 H new ATOM 0 HA MET A 46 111.740 7.540 -6.010 1.00 0.00 H new ATOM 0 HB2 MET A 46 110.037 7.479 -4.201 1.00 0.00 H new ATOM 0 HB3 MET A 46 110.289 5.847 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 46 110.724 5.257 -2.622 1.00 0.00 H new ATOM 0 HG3 MET A 46 112.248 6.107 -2.785 1.00 0.00 H new ATOM 0 HE1 MET A 46 109.976 6.815 0.598 1.00 0.00 H new ATOM 0 HE2 MET A 46 109.928 5.432 -0.520 1.00 0.00 H new ATOM 0 HE3 MET A 46 111.489 6.024 0.096 1.00 0.00 H new ATOM 747 N MET A 47 114.026 8.330 -4.395 1.00 0.00 N ATOM 748 CA MET A 47 114.813 9.388 -3.681 1.00 0.00 C ATOM 749 C MET A 47 114.804 9.154 -2.163 1.00 0.00 C ATOM 750 O MET A 47 115.502 9.825 -1.428 1.00 0.00 O ATOM 751 CB MET A 47 114.129 10.717 -4.024 1.00 0.00 C ATOM 752 CG MET A 47 115.133 11.865 -3.879 1.00 0.00 C ATOM 753 SD MET A 47 114.742 12.834 -2.400 1.00 0.00 S ATOM 754 CE MET A 47 113.105 13.399 -2.927 1.00 0.00 C ATOM 0 H MET A 47 114.585 7.696 -4.967 1.00 0.00 H new ATOM 0 HA MET A 47 115.858 9.379 -3.990 1.00 0.00 H new ATOM 0 HB2 MET A 47 113.742 10.686 -5.042 1.00 0.00 H new ATOM 0 HB3 MET A 47 113.277 10.880 -3.364 1.00 0.00 H new ATOM 0 HG2 MET A 47 116.146 11.468 -3.809 1.00 0.00 H new ATOM 0 HG3 MET A 47 115.101 12.503 -4.762 1.00 0.00 H new ATOM 0 HE1 MET A 47 112.981 14.450 -2.665 1.00 0.00 H new ATOM 0 HE2 MET A 47 113.009 13.280 -4.006 1.00 0.00 H new ATOM 0 HE3 MET A 47 112.338 12.808 -2.427 1.00 0.00 H new ATOM 764 N MET A 48 114.030 8.208 -1.683 1.00 0.00 N ATOM 765 CA MET A 48 113.989 7.936 -0.212 1.00 0.00 C ATOM 766 C MET A 48 113.849 9.242 0.577 1.00 0.00 C ATOM 767 O MET A 48 114.269 9.339 1.714 1.00 0.00 O ATOM 768 CB MET A 48 115.324 7.256 0.097 1.00 0.00 C ATOM 769 CG MET A 48 115.119 5.743 0.225 1.00 0.00 C ATOM 770 SD MET A 48 114.452 5.078 -1.324 1.00 0.00 S ATOM 771 CE MET A 48 113.294 3.900 -0.583 1.00 0.00 C ATOM 0 H MET A 48 113.425 7.613 -2.248 1.00 0.00 H new ATOM 0 HA MET A 48 113.138 7.315 0.068 1.00 0.00 H new ATOM 0 HB2 MET A 48 116.043 7.469 -0.694 1.00 0.00 H new ATOM 0 HB3 MET A 48 115.740 7.655 1.022 1.00 0.00 H new ATOM 0 HG2 MET A 48 116.066 5.258 0.462 1.00 0.00 H new ATOM 0 HG3 MET A 48 114.436 5.528 1.047 1.00 0.00 H new ATOM 0 HE1 MET A 48 113.545 2.890 -0.907 1.00 0.00 H new ATOM 0 HE2 MET A 48 113.360 3.959 0.503 1.00 0.00 H new ATOM 0 HE3 MET A 48 112.279 4.140 -0.899 1.00 0.00 H new ATOM 781 N GLY A 49 113.260 10.243 -0.018 1.00 0.00 N ATOM 782 CA GLY A 49 113.091 11.543 0.691 1.00 0.00 C ATOM 783 C GLY A 49 111.638 12.012 0.568 1.00 0.00 C ATOM 784 O GLY A 49 111.321 13.151 0.850 1.00 0.00 O ATOM 0 H GLY A 49 112.888 10.216 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.360 11.433 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.762 12.290 0.266 1.00 0.00 H new ATOM 788 N SER A 50 110.754 11.147 0.145 1.00 0.00 N ATOM 789 CA SER A 50 109.325 11.545 0.001 1.00 0.00 C ATOM 790 C SER A 50 108.410 10.380 0.381 1.00 0.00 C ATOM 791 O SER A 50 108.044 9.571 -0.449 1.00 0.00 O ATOM 792 CB SER A 50 109.164 11.893 -1.477 1.00 0.00 C ATOM 793 OG SER A 50 109.841 10.921 -2.265 1.00 0.00 O ATOM 0 H SER A 50 110.962 10.181 -0.107 1.00 0.00 H new ATOM 0 HA SER A 50 109.059 12.379 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 50 108.107 11.922 -1.743 1.00 0.00 H new ATOM 0 HB3 SER A 50 109.569 12.885 -1.675 1.00 0.00 H new ATOM 0 HG SER A 50 109.530 10.025 -2.018 1.00 0.00 H new ATOM 799 N ALA A 51 108.033 10.288 1.630 1.00 0.00 N ATOM 800 CA ALA A 51 107.137 9.174 2.066 1.00 0.00 C ATOM 801 C ALA A 51 105.894 9.115 1.173 1.00 0.00 C ATOM 802 O ALA A 51 105.287 8.076 1.005 1.00 0.00 O ATOM 803 CB ALA A 51 106.747 9.515 3.503 1.00 0.00 C ATOM 0 H ALA A 51 108.307 10.937 2.368 1.00 0.00 H new ATOM 0 HA ALA A 51 107.625 8.202 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 51 106.087 8.741 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 51 107.644 9.573 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 51 106.231 10.475 3.522 1.00 0.00 H new ATOM 809 N GLN A 52 105.517 10.224 0.596 1.00 0.00 N ATOM 810 CA GLN A 52 104.319 10.238 -0.295 1.00 0.00 C ATOM 811 C GLN A 52 104.470 9.192 -1.402 1.00 0.00 C ATOM 812 O GLN A 52 103.507 8.588 -1.832 1.00 0.00 O ATOM 813 CB GLN A 52 104.283 11.642 -0.887 1.00 0.00 C ATOM 814 CG GLN A 52 103.314 12.518 -0.091 1.00 0.00 C ATOM 815 CD GLN A 52 103.833 12.686 1.336 1.00 0.00 C ATOM 816 OE1 GLN A 52 104.501 13.655 1.642 1.00 0.00 O ATOM 817 NE2 GLN A 52 103.554 11.778 2.228 1.00 0.00 N ATOM 0 H GLN A 52 105.987 11.123 0.703 1.00 0.00 H new ATOM 0 HA GLN A 52 103.402 9.999 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 52 105.281 12.079 -0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 52 103.973 11.598 -1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 52 103.211 13.492 -0.569 1.00 0.00 H new ATOM 0 HG3 GLN A 52 102.323 12.064 -0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 52 102.994 10.965 1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 52 103.896 11.880 3.184 1.00 0.00 H new ATOM 826 N VAL A 53 105.672 8.975 -1.863 1.00 0.00 N ATOM 827 CA VAL A 53 105.890 7.971 -2.945 1.00 0.00 C ATOM 828 C VAL A 53 106.000 6.562 -2.354 1.00 0.00 C ATOM 829 O VAL A 53 105.597 5.591 -2.964 1.00 0.00 O ATOM 830 CB VAL A 53 107.207 8.379 -3.609 1.00 0.00 C ATOM 831 CG1 VAL A 53 107.448 7.507 -4.843 1.00 0.00 C ATOM 832 CG2 VAL A 53 107.136 9.849 -4.032 1.00 0.00 C ATOM 0 H VAL A 53 106.514 9.450 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 53 105.064 7.950 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 53 108.025 8.244 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 53 108.386 7.797 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 53 107.501 6.460 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 53 106.629 7.641 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.075 10.137 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.317 9.985 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 53 106.965 10.472 -3.154 1.00 0.00 H new ATOM 842 N ALA A 54 106.543 6.441 -1.171 1.00 0.00 N ATOM 843 CA ALA A 54 106.676 5.092 -0.546 1.00 0.00 C ATOM 844 C ALA A 54 105.292 4.482 -0.304 1.00 0.00 C ATOM 845 O ALA A 54 105.015 3.369 -0.706 1.00 0.00 O ATOM 846 CB ALA A 54 107.396 5.331 0.783 1.00 0.00 C ATOM 0 H ALA A 54 106.899 7.216 -0.612 1.00 0.00 H new ATOM 0 HA ALA A 54 107.224 4.398 -1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 54 107.530 4.381 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 54 108.370 5.781 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 54 106.801 6.002 1.403 1.00 0.00 H new ATOM 852 N GLU A 55 104.423 5.206 0.350 1.00 0.00 N ATOM 853 CA GLU A 55 103.057 4.672 0.623 1.00 0.00 C ATOM 854 C GLU A 55 102.272 4.507 -0.684 1.00 0.00 C ATOM 855 O GLU A 55 101.473 3.601 -0.825 1.00 0.00 O ATOM 856 CB GLU A 55 102.392 5.716 1.528 1.00 0.00 C ATOM 857 CG GLU A 55 102.244 7.042 0.776 1.00 0.00 C ATOM 858 CD GLU A 55 101.796 8.134 1.749 1.00 0.00 C ATOM 859 OE1 GLU A 55 100.599 8.286 1.927 1.00 0.00 O ATOM 860 OE2 GLU A 55 102.658 8.798 2.300 1.00 0.00 O ATOM 0 H GLU A 55 104.600 6.145 0.707 1.00 0.00 H new ATOM 0 HA GLU A 55 103.089 3.689 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 55 101.413 5.360 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 55 102.990 5.863 2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 55 103.192 7.318 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 55 101.516 6.937 -0.029 1.00 0.00 H new ATOM 867 N LEU A 56 102.490 5.374 -1.637 1.00 0.00 N ATOM 868 CA LEU A 56 101.749 5.265 -2.933 1.00 0.00 C ATOM 869 C LEU A 56 101.903 3.864 -3.529 1.00 0.00 C ATOM 870 O LEU A 56 100.944 3.137 -3.687 1.00 0.00 O ATOM 871 CB LEU A 56 102.401 6.300 -3.853 1.00 0.00 C ATOM 872 CG LEU A 56 101.396 6.769 -4.909 1.00 0.00 C ATOM 873 CD1 LEU A 56 102.087 7.755 -5.852 1.00 0.00 C ATOM 874 CD2 LEU A 56 100.890 5.571 -5.719 1.00 0.00 C ATOM 0 H LEU A 56 103.147 6.152 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 56 100.681 5.439 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 56 102.749 7.151 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 56 103.276 5.867 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 56 100.552 7.250 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 56 101.378 8.094 -6.607 1.00 0.00 H new ATOM 0 HD12 LEU A 56 102.447 8.612 -5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 56 102.929 7.263 -6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 56 100.176 5.914 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 56 101.731 5.086 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 56 100.403 4.860 -5.052 1.00 0.00 H new ATOM 886 N LEU A 57 103.104 3.488 -3.872 1.00 0.00 N ATOM 887 CA LEU A 57 103.321 2.140 -4.472 1.00 0.00 C ATOM 888 C LEU A 57 103.119 1.045 -3.425 1.00 0.00 C ATOM 889 O LEU A 57 102.656 -0.038 -3.728 1.00 0.00 O ATOM 890 CB LEU A 57 104.769 2.157 -4.957 1.00 0.00 C ATOM 891 CG LEU A 57 104.955 3.285 -5.974 1.00 0.00 C ATOM 892 CD1 LEU A 57 106.238 4.057 -5.655 1.00 0.00 C ATOM 893 CD2 LEU A 57 105.055 2.688 -7.380 1.00 0.00 C ATOM 0 H LEU A 57 103.945 4.055 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 57 102.618 1.932 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 57 105.444 2.299 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 57 105.023 1.199 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 57 104.103 3.964 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 57 106.369 4.860 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 57 106.168 4.481 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 57 107.091 3.381 -5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 57 105.188 3.489 -8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 57 105.907 2.010 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 57 104.141 2.139 -7.608 1.00 0.00 H new ATOM 905 N LEU A 58 103.465 1.313 -2.195 1.00 0.00 N ATOM 906 CA LEU A 58 103.298 0.281 -1.130 1.00 0.00 C ATOM 907 C LEU A 58 101.834 -0.156 -1.035 1.00 0.00 C ATOM 908 O LEU A 58 101.508 -1.310 -1.239 1.00 0.00 O ATOM 909 CB LEU A 58 103.738 0.970 0.164 1.00 0.00 C ATOM 910 CG LEU A 58 103.617 -0.011 1.337 1.00 0.00 C ATOM 911 CD1 LEU A 58 104.999 -0.249 1.954 1.00 0.00 C ATOM 912 CD2 LEU A 58 102.673 0.568 2.398 1.00 0.00 C ATOM 0 H LEU A 58 103.856 2.201 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 58 103.882 -0.617 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 58 104.767 1.316 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.121 1.850 0.347 1.00 0.00 H new ATOM 0 HG LEU A 58 103.216 -0.957 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.910 -0.946 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.667 -0.667 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 58 105.405 0.697 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 58 102.589 -0.131 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 58 103.070 1.517 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.688 0.730 1.959 1.00 0.00 H new ATOM 924 N LEU A 59 100.950 0.753 -0.722 1.00 0.00 N ATOM 925 CA LEU A 59 99.508 0.384 -0.609 1.00 0.00 C ATOM 926 C LEU A 59 98.990 -0.168 -1.943 1.00 0.00 C ATOM 927 O LEU A 59 98.040 -0.925 -1.983 1.00 0.00 O ATOM 928 CB LEU A 59 98.787 1.684 -0.234 1.00 0.00 C ATOM 929 CG LEU A 59 98.744 2.628 -1.439 1.00 0.00 C ATOM 930 CD1 LEU A 59 97.451 2.394 -2.221 1.00 0.00 C ATOM 931 CD2 LEU A 59 98.787 4.078 -0.954 1.00 0.00 C ATOM 0 H LEU A 59 101.163 1.734 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 59 99.340 -0.396 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 59 97.774 1.463 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 59 99.300 2.167 0.598 1.00 0.00 H new ATOM 0 HG LEU A 59 99.602 2.434 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 59 97.418 3.065 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 59 97.417 1.361 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 59 96.595 2.589 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 59 98.756 4.750 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 59 97.929 4.272 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 59 99.706 4.247 -0.393 1.00 0.00 H new ATOM 943 N HIS A 60 99.609 0.205 -3.033 1.00 0.00 N ATOM 944 CA HIS A 60 99.152 -0.298 -4.362 1.00 0.00 C ATOM 945 C HIS A 60 99.655 -1.727 -4.589 1.00 0.00 C ATOM 946 O HIS A 60 98.877 -2.656 -4.703 1.00 0.00 O ATOM 947 CB HIS A 60 99.762 0.662 -5.383 1.00 0.00 C ATOM 948 CG HIS A 60 98.746 1.709 -5.754 1.00 0.00 C ATOM 949 ND1 HIS A 60 97.933 1.589 -6.870 1.00 0.00 N ATOM 950 CD2 HIS A 60 98.399 2.900 -5.165 1.00 0.00 C ATOM 951 CE1 HIS A 60 97.146 2.679 -6.918 1.00 0.00 C ATOM 952 NE2 HIS A 60 97.388 3.510 -5.903 1.00 0.00 N ATOM 0 H HIS A 60 100.410 0.836 -3.060 1.00 0.00 H new ATOM 0 HA HIS A 60 98.065 -0.332 -4.440 1.00 0.00 H new ATOM 0 HB2 HIS A 60 100.652 1.134 -4.968 1.00 0.00 H new ATOM 0 HB3 HIS A 60 100.077 0.114 -6.271 1.00 0.00 H new ATOM 0 HD2 HIS A 60 98.843 3.302 -4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 60 96.408 2.859 -7.685 1.00 0.00 H new ATOM 0 HE2 HIS A 60 96.931 4.401 -5.709 1.00 0.00 H new ATOM 960 N GLY A 61 100.949 -1.915 -4.656 1.00 0.00 N ATOM 961 CA GLY A 61 101.493 -3.278 -4.874 1.00 0.00 C ATOM 962 C GLY A 61 103.006 -3.213 -5.091 1.00 0.00 C ATOM 963 O GLY A 61 103.557 -3.939 -5.896 1.00 0.00 O ATOM 0 H GLY A 61 101.649 -1.178 -4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.268 -3.909 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 61 101.013 -3.735 -5.739 1.00 0.00 H new ATOM 967 N ALA A 62 103.688 -2.355 -4.380 1.00 0.00 N ATOM 968 CA ALA A 62 105.168 -2.254 -4.554 1.00 0.00 C ATOM 969 C ALA A 62 105.854 -3.492 -3.977 1.00 0.00 C ATOM 970 O ALA A 62 105.208 -4.419 -3.529 1.00 0.00 O ATOM 971 CB ALA A 62 105.583 -1.007 -3.772 1.00 0.00 C ATOM 0 H ALA A 62 103.287 -1.721 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 62 105.451 -2.189 -5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 62 106.661 -0.868 -3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 62 105.073 -0.135 -4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 62 105.312 -1.128 -2.723 1.00 0.00 H new ATOM 977 N GLU A 63 107.159 -3.508 -3.978 1.00 0.00 N ATOM 978 CA GLU A 63 107.893 -4.681 -3.423 1.00 0.00 C ATOM 979 C GLU A 63 108.768 -4.242 -2.245 1.00 0.00 C ATOM 980 O GLU A 63 109.968 -4.106 -2.380 1.00 0.00 O ATOM 981 CB GLU A 63 108.760 -5.192 -4.576 1.00 0.00 C ATOM 982 CG GLU A 63 107.935 -6.134 -5.457 1.00 0.00 C ATOM 983 CD GLU A 63 108.807 -7.309 -5.905 1.00 0.00 C ATOM 984 OE1 GLU A 63 109.639 -7.107 -6.774 1.00 0.00 O ATOM 985 OE2 GLU A 63 108.627 -8.391 -5.371 1.00 0.00 O ATOM 0 H GLU A 63 107.749 -2.759 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 63 107.219 -5.453 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 63 109.128 -4.354 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 63 109.633 -5.714 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 63 107.069 -6.500 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 63 107.556 -5.597 -6.326 1.00 0.00 H new ATOM 992 N PRO A 64 108.132 -4.030 -1.121 1.00 0.00 N ATOM 993 CA PRO A 64 108.865 -3.600 0.091 1.00 0.00 C ATOM 994 C PRO A 64 109.609 -4.785 0.722 1.00 0.00 C ATOM 995 O PRO A 64 110.359 -4.625 1.665 1.00 0.00 O ATOM 996 CB PRO A 64 107.762 -3.093 1.015 1.00 0.00 C ATOM 997 CG PRO A 64 106.519 -3.803 0.576 1.00 0.00 C ATOM 998 CD PRO A 64 106.691 -4.172 -0.876 1.00 0.00 C ATOM 0 HA PRO A 64 109.624 -2.845 -0.114 1.00 0.00 H new ATOM 0 HB2 PRO A 64 107.992 -3.311 2.058 1.00 0.00 H new ATOM 0 HB3 PRO A 64 107.647 -2.012 0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 64 106.354 -4.695 1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 64 105.646 -3.163 0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 64 106.353 -5.190 -1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 64 106.111 -3.515 -1.524 1.00 0.00 H new ATOM 1006 N ASN A 65 109.410 -5.970 0.205 1.00 0.00 N ATOM 1007 CA ASN A 65 110.108 -7.162 0.772 1.00 0.00 C ATOM 1008 C ASN A 65 111.216 -7.624 -0.180 1.00 0.00 C ATOM 1009 O ASN A 65 112.352 -7.794 0.212 1.00 0.00 O ATOM 1010 CB ASN A 65 109.022 -8.235 0.898 1.00 0.00 C ATOM 1011 CG ASN A 65 108.955 -8.746 2.341 1.00 0.00 C ATOM 1012 OD1 ASN A 65 109.520 -8.151 3.237 1.00 0.00 O ATOM 1013 ND2 ASN A 65 108.282 -9.831 2.604 1.00 0.00 N ATOM 0 H ASN A 65 108.795 -6.163 -0.585 1.00 0.00 H new ATOM 0 HA ASN A 65 110.581 -6.949 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 65 108.057 -7.823 0.604 1.00 0.00 H new ATOM 0 HB3 ASN A 65 109.236 -9.062 0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 65 108.230 -10.180 3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 65 107.807 -10.331 1.853 1.00 0.00 H new ATOM 1020 N CYS A 66 110.890 -7.826 -1.430 1.00 0.00 N ATOM 1021 CA CYS A 66 111.922 -8.279 -2.412 1.00 0.00 C ATOM 1022 C CYS A 66 113.136 -7.342 -2.384 1.00 0.00 C ATOM 1023 O CYS A 66 112.999 -6.134 -2.374 1.00 0.00 O ATOM 1024 CB CYS A 66 111.234 -8.224 -3.770 1.00 0.00 C ATOM 1025 SG CYS A 66 111.345 -9.840 -4.580 1.00 0.00 S ATOM 0 H CYS A 66 109.954 -7.697 -1.814 1.00 0.00 H new ATOM 0 HA CYS A 66 112.291 -9.279 -2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 66 110.189 -7.940 -3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 66 111.701 -7.462 -4.394 1.00 0.00 H new ATOM 0 HG CYS A 66 110.281 -10.038 -5.301 1.00 0.00 H new ATOM 1031 N ALA A 67 114.321 -7.892 -2.369 1.00 0.00 N ATOM 1032 CA ALA A 67 115.543 -7.035 -2.338 1.00 0.00 C ATOM 1033 C ALA A 67 116.408 -7.294 -3.575 1.00 0.00 C ATOM 1034 O ALA A 67 116.032 -8.032 -4.464 1.00 0.00 O ATOM 1035 CB ALA A 67 116.288 -7.455 -1.070 1.00 0.00 C ATOM 0 H ALA A 67 114.496 -8.897 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 67 115.299 -5.973 -2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 67 117.202 -6.869 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.653 -7.282 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 67 116.540 -8.514 -1.130 1.00 0.00 H new ATOM 1041 N ASP A 68 117.565 -6.689 -3.632 1.00 0.00 N ATOM 1042 CA ASP A 68 118.461 -6.894 -4.806 1.00 0.00 C ATOM 1043 C ASP A 68 119.336 -8.137 -4.588 1.00 0.00 C ATOM 1044 O ASP A 68 119.991 -8.256 -3.573 1.00 0.00 O ATOM 1045 CB ASP A 68 119.323 -5.631 -4.862 1.00 0.00 C ATOM 1046 CG ASP A 68 119.916 -5.478 -6.264 1.00 0.00 C ATOM 1047 OD1 ASP A 68 119.222 -5.793 -7.217 1.00 0.00 O ATOM 1048 OD2 ASP A 68 121.052 -5.046 -6.362 1.00 0.00 O ATOM 0 H ASP A 68 117.928 -6.061 -2.915 1.00 0.00 H new ATOM 0 HA ASP A 68 117.909 -7.053 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 68 118.722 -4.757 -4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 68 120.122 -5.690 -4.123 1.00 0.00 H new ATOM 1053 N PRO A 69 119.322 -9.030 -5.551 1.00 0.00 N ATOM 1054 CA PRO A 69 120.129 -10.270 -5.440 1.00 0.00 C ATOM 1055 C PRO A 69 121.617 -9.963 -5.635 1.00 0.00 C ATOM 1056 O PRO A 69 122.475 -10.636 -5.100 1.00 0.00 O ATOM 1057 CB PRO A 69 119.607 -11.142 -6.579 1.00 0.00 C ATOM 1058 CG PRO A 69 119.046 -10.181 -7.577 1.00 0.00 C ATOM 1059 CD PRO A 69 118.567 -8.976 -6.811 1.00 0.00 C ATOM 0 HA PRO A 69 120.041 -10.748 -4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 69 120.406 -11.742 -7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 69 118.844 -11.836 -6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 69 119.804 -9.897 -8.307 1.00 0.00 H new ATOM 0 HG3 PRO A 69 118.225 -10.636 -8.131 1.00 0.00 H new ATOM 0 HD2 PRO A 69 118.765 -8.053 -7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 69 117.492 -9.017 -6.634 1.00 0.00 H new ATOM 1067 N ALA A 70 121.926 -8.952 -6.402 1.00 0.00 N ATOM 1068 CA ALA A 70 123.358 -8.600 -6.636 1.00 0.00 C ATOM 1069 C ALA A 70 124.040 -8.233 -5.316 1.00 0.00 C ATOM 1070 O ALA A 70 125.197 -8.539 -5.100 1.00 0.00 O ATOM 1071 CB ALA A 70 123.324 -7.394 -7.576 1.00 0.00 C ATOM 0 H ALA A 70 121.249 -8.354 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 70 123.920 -9.432 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 70 124.343 -7.075 -7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 70 122.822 -7.670 -8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 70 122.783 -6.577 -7.100 1.00 0.00 H new ATOM 1077 N THR A 71 123.335 -7.577 -4.431 1.00 0.00 N ATOM 1078 CA THR A 71 123.950 -7.192 -3.127 1.00 0.00 C ATOM 1079 C THR A 71 122.921 -7.289 -1.998 1.00 0.00 C ATOM 1080 O THR A 71 122.899 -6.468 -1.104 1.00 0.00 O ATOM 1081 CB THR A 71 124.414 -5.743 -3.308 1.00 0.00 C ATOM 1082 OG1 THR A 71 123.554 -5.077 -4.225 1.00 0.00 O ATOM 1083 CG2 THR A 71 125.847 -5.728 -3.842 1.00 0.00 C ATOM 0 H THR A 71 122.363 -7.292 -4.555 1.00 0.00 H new ATOM 0 HA THR A 71 124.775 -7.851 -2.858 1.00 0.00 H new ATOM 0 HB THR A 71 124.381 -5.230 -2.347 1.00 0.00 H new ATOM 0 HG1 THR A 71 123.851 -4.150 -4.338 1.00 0.00 H new ATOM 0 HG21 THR A 71 126.177 -4.697 -3.971 1.00 0.00 H new ATOM 0 HG22 THR A 71 126.504 -6.234 -3.134 1.00 0.00 H new ATOM 0 HG23 THR A 71 125.883 -6.243 -4.802 1.00 0.00 H new ATOM 1091 N LEU A 72 122.079 -8.295 -2.033 1.00 0.00 N ATOM 1092 CA LEU A 72 121.042 -8.483 -0.961 1.00 0.00 C ATOM 1093 C LEU A 72 120.685 -7.152 -0.281 1.00 0.00 C ATOM 1094 O LEU A 72 120.891 -6.974 0.904 1.00 0.00 O ATOM 1095 CB LEU A 72 121.694 -9.441 0.040 1.00 0.00 C ATOM 1096 CG LEU A 72 120.959 -10.781 0.022 1.00 0.00 C ATOM 1097 CD1 LEU A 72 121.710 -11.786 0.897 1.00 0.00 C ATOM 1098 CD2 LEU A 72 119.544 -10.588 0.568 1.00 0.00 C ATOM 0 H LEU A 72 122.064 -9.004 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 72 120.107 -8.870 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 72 122.744 -9.588 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 72 121.664 -9.012 1.042 1.00 0.00 H new ATOM 0 HG LEU A 72 120.909 -11.157 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 72 121.186 -12.742 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 72 122.720 -11.921 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 72 121.759 -11.412 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 72 119.016 -11.542 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 72 119.596 -10.214 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 72 119.009 -9.870 -0.054 1.00 0.00 H new ATOM 1110 N THR A 73 120.162 -6.217 -1.025 1.00 0.00 N ATOM 1111 CA THR A 73 119.806 -4.897 -0.425 1.00 0.00 C ATOM 1112 C THR A 73 118.287 -4.698 -0.431 1.00 0.00 C ATOM 1113 O THR A 73 117.654 -4.695 -1.469 1.00 0.00 O ATOM 1114 CB THR A 73 120.495 -3.855 -1.315 1.00 0.00 C ATOM 1115 OG1 THR A 73 120.903 -4.460 -2.534 1.00 0.00 O ATOM 1116 CG2 THR A 73 121.719 -3.293 -0.590 1.00 0.00 C ATOM 0 H THR A 73 119.965 -6.308 -2.022 1.00 0.00 H new ATOM 0 HA THR A 73 120.126 -4.818 0.614 1.00 0.00 H new ATOM 0 HB THR A 73 119.796 -3.047 -1.530 1.00 0.00 H new ATOM 0 HG1 THR A 73 121.341 -3.791 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 73 122.208 -2.553 -1.223 1.00 0.00 H new ATOM 0 HG22 THR A 73 121.406 -2.823 0.342 1.00 0.00 H new ATOM 0 HG23 THR A 73 122.416 -4.102 -0.372 1.00 0.00 H new ATOM 1124 N ARG A 74 117.701 -4.533 0.727 1.00 0.00 N ATOM 1125 CA ARG A 74 116.223 -4.333 0.803 1.00 0.00 C ATOM 1126 C ARG A 74 115.887 -2.837 0.807 1.00 0.00 C ATOM 1127 O ARG A 74 116.769 -2.005 0.883 1.00 0.00 O ATOM 1128 CB ARG A 74 115.809 -4.968 2.131 1.00 0.00 C ATOM 1129 CG ARG A 74 115.193 -6.348 1.880 1.00 0.00 C ATOM 1130 CD ARG A 74 113.864 -6.460 2.632 1.00 0.00 C ATOM 1131 NE ARG A 74 113.844 -7.847 3.177 1.00 0.00 N ATOM 1132 CZ ARG A 74 113.562 -8.854 2.395 1.00 0.00 C ATOM 1133 NH1 ARG A 74 114.466 -9.317 1.576 1.00 0.00 N ATOM 1134 NH2 ARG A 74 112.376 -9.394 2.431 1.00 0.00 N ATOM 0 H ARG A 74 118.184 -4.528 1.625 1.00 0.00 H new ATOM 0 HA ARG A 74 115.705 -4.775 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 74 116.676 -5.061 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 74 115.091 -4.327 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 74 115.032 -6.497 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 74 115.877 -7.129 2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 74 113.799 -5.721 3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 74 113.018 -6.285 1.967 1.00 0.00 H new ATOM 0 HE ARG A 74 114.051 -8.010 4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 74 115.393 -8.892 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 74 114.246 -10.104 0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 74 111.669 -9.030 3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 74 112.155 -10.181 1.820 1.00 0.00 H new ATOM 1148 N PRO A 75 114.612 -2.544 0.734 1.00 0.00 N ATOM 1149 CA PRO A 75 114.156 -1.132 0.741 1.00 0.00 C ATOM 1150 C PRO A 75 114.331 -0.523 2.136 1.00 0.00 C ATOM 1151 O PRO A 75 114.412 0.681 2.292 1.00 0.00 O ATOM 1152 CB PRO A 75 112.679 -1.228 0.370 1.00 0.00 C ATOM 1153 CG PRO A 75 112.270 -2.609 0.774 1.00 0.00 C ATOM 1154 CD PRO A 75 113.488 -3.485 0.638 1.00 0.00 C ATOM 0 HA PRO A 75 114.719 -0.496 0.058 1.00 0.00 H new ATOM 0 HB2 PRO A 75 112.091 -0.473 0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 75 112.529 -1.068 -0.698 1.00 0.00 H new ATOM 0 HG2 PRO A 75 111.901 -2.618 1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 75 111.461 -2.972 0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 75 113.529 -4.238 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 75 113.493 -4.018 -0.313 1.00 0.00 H new ATOM 1162 N VAL A 76 114.392 -1.345 3.150 1.00 0.00 N ATOM 1163 CA VAL A 76 114.566 -0.813 4.535 1.00 0.00 C ATOM 1164 C VAL A 76 115.867 -0.012 4.628 1.00 0.00 C ATOM 1165 O VAL A 76 115.931 1.016 5.274 1.00 0.00 O ATOM 1166 CB VAL A 76 114.630 -2.050 5.434 1.00 0.00 C ATOM 1167 CG1 VAL A 76 114.752 -1.614 6.896 1.00 0.00 C ATOM 1168 CG2 VAL A 76 113.356 -2.879 5.257 1.00 0.00 C ATOM 0 H VAL A 76 114.329 -2.361 3.080 1.00 0.00 H new ATOM 0 HA VAL A 76 113.757 -0.144 4.826 1.00 0.00 H new ATOM 0 HB VAL A 76 115.497 -2.651 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 76 114.798 -2.495 7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 76 115.660 -1.024 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 76 113.886 -1.011 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 76 113.403 -3.760 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 76 112.489 -2.277 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 76 113.267 -3.192 4.217 1.00 0.00 H new ATOM 1178 N HIS A 77 116.904 -0.476 3.982 1.00 0.00 N ATOM 1179 CA HIS A 77 118.204 0.257 4.026 1.00 0.00 C ATOM 1180 C HIS A 77 118.056 1.629 3.367 1.00 0.00 C ATOM 1181 O HIS A 77 118.515 2.629 3.883 1.00 0.00 O ATOM 1182 CB HIS A 77 119.179 -0.611 3.230 1.00 0.00 C ATOM 1183 CG HIS A 77 119.530 -1.836 4.026 1.00 0.00 C ATOM 1184 ND1 HIS A 77 118.728 -2.966 4.038 1.00 0.00 N ATOM 1185 CD2 HIS A 77 120.597 -2.126 4.841 1.00 0.00 C ATOM 1186 CE1 HIS A 77 119.318 -3.873 4.836 1.00 0.00 C ATOM 1187 NE2 HIS A 77 120.459 -3.412 5.351 1.00 0.00 N ATOM 0 H HIS A 77 116.907 -1.331 3.426 1.00 0.00 H new ATOM 0 HA HIS A 77 118.547 0.425 5.047 1.00 0.00 H new ATOM 0 HB2 HIS A 77 118.732 -0.899 2.279 1.00 0.00 H new ATOM 0 HB3 HIS A 77 120.081 -0.044 2.999 1.00 0.00 H new ATOM 0 HD1 HIS A 77 117.850 -3.088 3.533 1.00 0.00 H new ATOM 0 HD2 HIS A 77 121.418 -1.457 5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 77 118.917 -4.856 5.036 1.00 0.00 H new ATOM 1195 N ASP A 78 117.419 1.681 2.227 1.00 0.00 N ATOM 1196 CA ASP A 78 117.240 2.987 1.523 1.00 0.00 C ATOM 1197 C ASP A 78 116.620 4.023 2.467 1.00 0.00 C ATOM 1198 O ASP A 78 117.241 5.008 2.815 1.00 0.00 O ATOM 1199 CB ASP A 78 116.289 2.688 0.360 1.00 0.00 C ATOM 1200 CG ASP A 78 116.954 3.073 -0.963 1.00 0.00 C ATOM 1201 OD1 ASP A 78 117.452 4.184 -1.052 1.00 0.00 O ATOM 1202 OD2 ASP A 78 116.956 2.251 -1.864 1.00 0.00 O ATOM 0 H ASP A 78 117.014 0.875 1.751 1.00 0.00 H new ATOM 0 HA ASP A 78 118.189 3.399 1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 78 116.029 1.629 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 78 115.359 3.243 0.486 1.00 0.00 H new ATOM 1207 N ALA A 79 115.398 3.808 2.881 1.00 0.00 N ATOM 1208 CA ALA A 79 114.738 4.782 3.802 1.00 0.00 C ATOM 1209 C ALA A 79 115.619 5.025 5.032 1.00 0.00 C ATOM 1210 O ALA A 79 115.567 6.072 5.647 1.00 0.00 O ATOM 1211 CB ALA A 79 113.417 4.121 4.201 1.00 0.00 C ATOM 0 H ALA A 79 114.829 3.002 2.622 1.00 0.00 H new ATOM 0 HA ALA A 79 114.577 5.753 3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 79 112.872 4.777 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 79 112.816 3.941 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 79 113.620 3.173 4.699 1.00 0.00 H new ATOM 1217 N ALA A 80 116.434 4.066 5.387 1.00 0.00 N ATOM 1218 CA ALA A 80 117.329 4.245 6.567 1.00 0.00 C ATOM 1219 C ALA A 80 118.527 5.112 6.180 1.00 0.00 C ATOM 1220 O ALA A 80 118.927 5.999 6.909 1.00 0.00 O ATOM 1221 CB ALA A 80 117.783 2.834 6.941 1.00 0.00 C ATOM 0 H ALA A 80 116.518 3.168 4.911 1.00 0.00 H new ATOM 0 HA ALA A 80 116.829 4.740 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 80 118.447 2.882 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 80 116.913 2.225 7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 80 118.313 2.387 6.100 1.00 0.00 H new ATOM 1227 N ARG A 81 119.098 4.866 5.030 1.00 0.00 N ATOM 1228 CA ARG A 81 120.268 5.678 4.584 1.00 0.00 C ATOM 1229 C ARG A 81 119.869 7.150 4.446 1.00 0.00 C ATOM 1230 O ARG A 81 120.702 8.034 4.487 1.00 0.00 O ATOM 1231 CB ARG A 81 120.660 5.099 3.225 1.00 0.00 C ATOM 1232 CG ARG A 81 121.424 3.789 3.429 1.00 0.00 C ATOM 1233 CD ARG A 81 122.264 3.487 2.186 1.00 0.00 C ATOM 1234 NE ARG A 81 121.280 3.381 1.072 1.00 0.00 N ATOM 1235 CZ ARG A 81 121.691 3.373 -0.165 1.00 0.00 C ATOM 1236 NH1 ARG A 81 122.624 4.201 -0.549 1.00 0.00 N ATOM 1237 NH2 ARG A 81 121.169 2.536 -1.020 1.00 0.00 N ATOM 0 H ARG A 81 118.804 4.137 4.380 1.00 0.00 H new ATOM 0 HA ARG A 81 121.092 5.638 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 81 119.769 4.923 2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 81 121.278 5.812 2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 81 122.067 3.864 4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 81 120.725 2.974 3.615 1.00 0.00 H new ATOM 0 HD2 ARG A 81 122.989 4.279 1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 81 122.827 2.561 2.305 1.00 0.00 H new ATOM 0 HE ARG A 81 120.283 3.315 1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 81 123.032 4.855 0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 81 122.945 4.194 -1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 81 120.440 1.889 -0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 81 121.490 2.529 -1.988 1.00 0.00 H new ATOM 1251 N GLU A 82 118.600 7.419 4.289 1.00 0.00 N ATOM 1252 CA GLU A 82 118.146 8.833 4.156 1.00 0.00 C ATOM 1253 C GLU A 82 117.678 9.356 5.517 1.00 0.00 C ATOM 1254 O GLU A 82 117.820 10.523 5.826 1.00 0.00 O ATOM 1255 CB GLU A 82 116.981 8.786 3.165 1.00 0.00 C ATOM 1256 CG GLU A 82 117.455 9.274 1.793 1.00 0.00 C ATOM 1257 CD GLU A 82 118.167 8.134 1.059 1.00 0.00 C ATOM 1258 OE1 GLU A 82 118.776 7.314 1.726 1.00 0.00 O ATOM 1259 OE2 GLU A 82 118.093 8.103 -0.158 1.00 0.00 O ATOM 0 H GLU A 82 117.858 6.720 4.247 1.00 0.00 H new ATOM 0 HA GLU A 82 118.940 9.496 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 82 116.597 7.769 3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 82 116.162 9.410 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 82 116.605 9.623 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 82 118.130 10.122 1.911 1.00 0.00 H new ATOM 1266 N GLY A 83 117.126 8.497 6.332 1.00 0.00 N ATOM 1267 CA GLY A 83 116.653 8.935 7.677 1.00 0.00 C ATOM 1268 C GLY A 83 115.183 9.350 7.602 1.00 0.00 C ATOM 1269 O GLY A 83 114.711 10.133 8.404 1.00 0.00 O ATOM 0 H GLY A 83 116.982 7.509 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 83 116.775 8.125 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 83 117.258 9.770 8.031 1.00 0.00 H new ATOM 1273 N PHE A 84 114.452 8.833 6.648 1.00 0.00 N ATOM 1274 CA PHE A 84 113.012 9.201 6.531 1.00 0.00 C ATOM 1275 C PHE A 84 112.158 8.249 7.374 1.00 0.00 C ATOM 1276 O PHE A 84 111.774 7.185 6.932 1.00 0.00 O ATOM 1277 CB PHE A 84 112.684 9.057 5.046 1.00 0.00 C ATOM 1278 CG PHE A 84 111.792 10.198 4.613 1.00 0.00 C ATOM 1279 CD1 PHE A 84 110.413 10.138 4.848 1.00 0.00 C ATOM 1280 CD2 PHE A 84 112.345 11.315 3.978 1.00 0.00 C ATOM 1281 CE1 PHE A 84 109.588 11.197 4.447 1.00 0.00 C ATOM 1282 CE2 PHE A 84 111.521 12.373 3.577 1.00 0.00 C ATOM 1283 CZ PHE A 84 110.142 12.314 3.812 1.00 0.00 C ATOM 0 H PHE A 84 114.790 8.174 5.947 1.00 0.00 H new ATOM 0 HA PHE A 84 112.809 10.210 6.891 1.00 0.00 H new ATOM 0 HB2 PHE A 84 113.602 9.056 4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 84 112.188 8.104 4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 84 109.985 9.276 5.338 1.00 0.00 H new ATOM 0 HD2 PHE A 84 113.409 11.361 3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 84 108.524 11.151 4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 84 111.949 13.235 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 84 109.506 13.130 3.503 1.00 0.00 H new ATOM 1293 N LEU A 85 111.870 8.627 8.590 1.00 0.00 N ATOM 1294 CA LEU A 85 111.052 7.753 9.483 1.00 0.00 C ATOM 1295 C LEU A 85 109.653 7.531 8.895 1.00 0.00 C ATOM 1296 O LEU A 85 109.069 6.477 9.048 1.00 0.00 O ATOM 1297 CB LEU A 85 110.958 8.522 10.805 1.00 0.00 C ATOM 1298 CG LEU A 85 111.133 7.566 11.989 1.00 0.00 C ATOM 1299 CD1 LEU A 85 110.129 6.416 11.883 1.00 0.00 C ATOM 1300 CD2 LEU A 85 112.555 7.003 11.992 1.00 0.00 C ATOM 0 H LEU A 85 112.168 9.509 9.007 1.00 0.00 H new ATOM 0 HA LEU A 85 111.498 6.766 9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 85 111.724 9.297 10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 85 109.993 9.024 10.874 1.00 0.00 H new ATOM 0 HG LEU A 85 110.957 8.112 12.916 1.00 0.00 H new ATOM 0 HD11 LEU A 85 110.259 5.740 12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 85 109.115 6.816 11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 85 110.296 5.871 10.954 1.00 0.00 H new ATOM 0 HD21 LEU A 85 112.676 6.323 12.836 1.00 0.00 H new ATOM 0 HD22 LEU A 85 112.734 6.463 11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 85 113.270 7.821 12.080 1.00 0.00 H new ATOM 1312 N ASP A 86 109.108 8.518 8.236 1.00 0.00 N ATOM 1313 CA ASP A 86 107.740 8.366 7.653 1.00 0.00 C ATOM 1314 C ASP A 86 107.691 7.193 6.667 1.00 0.00 C ATOM 1315 O ASP A 86 106.698 6.496 6.569 1.00 0.00 O ATOM 1316 CB ASP A 86 107.469 9.688 6.929 1.00 0.00 C ATOM 1317 CG ASP A 86 105.975 9.811 6.618 1.00 0.00 C ATOM 1318 OD1 ASP A 86 105.197 9.117 7.253 1.00 0.00 O ATOM 1319 OD2 ASP A 86 105.634 10.598 5.752 1.00 0.00 O ATOM 0 H ASP A 86 109.549 9.423 8.075 1.00 0.00 H new ATOM 0 HA ASP A 86 106.994 8.155 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 86 107.791 10.525 7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 86 108.047 9.733 6.006 1.00 0.00 H new ATOM 1324 N THR A 87 108.747 6.967 5.932 1.00 0.00 N ATOM 1325 CA THR A 87 108.746 5.839 4.953 1.00 0.00 C ATOM 1326 C THR A 87 108.901 4.504 5.684 1.00 0.00 C ATOM 1327 O THR A 87 108.256 3.529 5.354 1.00 0.00 O ATOM 1328 CB THR A 87 109.943 6.088 4.034 1.00 0.00 C ATOM 1329 OG1 THR A 87 110.299 7.463 4.064 1.00 0.00 O ATOM 1330 CG2 THR A 87 109.581 5.688 2.613 1.00 0.00 C ATOM 0 H THR A 87 109.608 7.512 5.966 1.00 0.00 H new ATOM 0 HA THR A 87 107.813 5.791 4.391 1.00 0.00 H new ATOM 0 HB THR A 87 110.789 5.493 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 87 110.908 7.660 3.322 1.00 0.00 H new ATOM 0 HG21 THR A 87 110.433 5.865 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 87 109.318 4.631 2.589 1.00 0.00 H new ATOM 0 HG23 THR A 87 108.732 6.281 2.273 1.00 0.00 H new ATOM 1338 N LEU A 88 109.751 4.453 6.674 1.00 0.00 N ATOM 1339 CA LEU A 88 109.943 3.179 7.428 1.00 0.00 C ATOM 1340 C LEU A 88 108.597 2.684 7.965 1.00 0.00 C ATOM 1341 O LEU A 88 108.294 1.506 7.926 1.00 0.00 O ATOM 1342 CB LEU A 88 110.888 3.532 8.579 1.00 0.00 C ATOM 1343 CG LEU A 88 111.955 2.444 8.717 1.00 0.00 C ATOM 1344 CD1 LEU A 88 112.914 2.513 7.526 1.00 0.00 C ATOM 1345 CD2 LEU A 88 112.737 2.655 10.019 1.00 0.00 C ATOM 0 H LEU A 88 110.320 5.237 6.993 1.00 0.00 H new ATOM 0 HA LEU A 88 110.351 2.384 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 88 111.360 4.497 8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 88 110.327 3.625 9.509 1.00 0.00 H new ATOM 0 HG LEU A 88 111.474 1.466 8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 88 113.674 1.738 7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 88 112.357 2.360 6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 88 113.395 3.491 7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 88 113.497 1.880 10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 88 113.217 3.633 10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 88 112.054 2.602 10.867 1.00 0.00 H new ATOM 1357 N VAL A 89 107.781 3.582 8.453 1.00 0.00 N ATOM 1358 CA VAL A 89 106.448 3.171 8.979 1.00 0.00 C ATOM 1359 C VAL A 89 105.620 2.561 7.844 1.00 0.00 C ATOM 1360 O VAL A 89 105.008 1.523 7.996 1.00 0.00 O ATOM 1361 CB VAL A 89 105.805 4.465 9.486 1.00 0.00 C ATOM 1362 CG1 VAL A 89 104.392 4.175 9.998 1.00 0.00 C ATOM 1363 CG2 VAL A 89 106.649 5.036 10.627 1.00 0.00 C ATOM 0 H VAL A 89 107.981 4.581 8.509 1.00 0.00 H new ATOM 0 HA VAL A 89 106.517 2.423 9.769 1.00 0.00 H new ATOM 0 HB VAL A 89 105.752 5.185 8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 89 103.939 5.099 10.358 1.00 0.00 H new ATOM 0 HG12 VAL A 89 103.788 3.766 9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 89 104.441 3.454 10.814 1.00 0.00 H new ATOM 0 HG21 VAL A 89 106.194 5.957 10.990 1.00 0.00 H new ATOM 0 HG22 VAL A 89 106.700 4.311 11.440 1.00 0.00 H new ATOM 0 HG23 VAL A 89 107.655 5.247 10.265 1.00 0.00 H new ATOM 1373 N VAL A 90 105.609 3.201 6.704 1.00 0.00 N ATOM 1374 CA VAL A 90 104.835 2.670 5.547 1.00 0.00 C ATOM 1375 C VAL A 90 105.238 1.216 5.261 1.00 0.00 C ATOM 1376 O VAL A 90 104.401 0.358 5.061 1.00 0.00 O ATOM 1377 CB VAL A 90 105.217 3.577 4.373 1.00 0.00 C ATOM 1378 CG1 VAL A 90 104.533 3.089 3.094 1.00 0.00 C ATOM 1379 CG2 VAL A 90 104.771 5.013 4.673 1.00 0.00 C ATOM 0 H VAL A 90 106.106 4.073 6.525 1.00 0.00 H new ATOM 0 HA VAL A 90 103.761 2.668 5.730 1.00 0.00 H new ATOM 0 HB VAL A 90 106.298 3.549 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 90 104.809 3.738 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 90 104.851 2.069 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 90 103.452 3.112 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 90 105.042 5.660 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 90 103.690 5.036 4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 90 105.263 5.365 5.580 1.00 0.00 H new ATOM 1389 N LEU A 91 106.514 0.939 5.243 1.00 0.00 N ATOM 1390 CA LEU A 91 106.980 -0.455 4.968 1.00 0.00 C ATOM 1391 C LEU A 91 106.529 -1.406 6.082 1.00 0.00 C ATOM 1392 O LEU A 91 106.471 -2.606 5.897 1.00 0.00 O ATOM 1393 CB LEU A 91 108.507 -0.365 4.939 1.00 0.00 C ATOM 1394 CG LEU A 91 108.975 -0.005 3.529 1.00 0.00 C ATOM 1395 CD1 LEU A 91 108.805 1.498 3.301 1.00 0.00 C ATOM 1396 CD2 LEU A 91 110.452 -0.378 3.374 1.00 0.00 C ATOM 0 H LEU A 91 107.257 1.618 5.407 1.00 0.00 H new ATOM 0 HA LEU A 91 106.570 -0.842 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 91 108.850 0.387 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 91 108.943 -1.316 5.246 1.00 0.00 H new ATOM 0 HG LEU A 91 108.380 -0.552 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 91 109.139 1.754 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 91 107.755 1.767 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 91 109.400 2.046 4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 91 110.788 -0.122 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 91 111.045 0.171 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 91 110.576 -1.449 3.537 1.00 0.00 H new ATOM 1408 N HIS A 92 106.220 -0.884 7.239 1.00 0.00 N ATOM 1409 CA HIS A 92 105.784 -1.765 8.364 1.00 0.00 C ATOM 1410 C HIS A 92 104.323 -2.191 8.184 1.00 0.00 C ATOM 1411 O HIS A 92 104.023 -3.361 8.047 1.00 0.00 O ATOM 1412 CB HIS A 92 105.935 -0.905 9.619 1.00 0.00 C ATOM 1413 CG HIS A 92 106.383 -1.762 10.771 1.00 0.00 C ATOM 1414 ND1 HIS A 92 106.644 -1.233 12.024 1.00 0.00 N ATOM 1415 CD2 HIS A 92 106.624 -3.110 10.877 1.00 0.00 C ATOM 1416 CE1 HIS A 92 107.024 -2.246 12.822 1.00 0.00 C ATOM 1417 NE2 HIS A 92 107.029 -3.413 12.173 1.00 0.00 N ATOM 0 H HIS A 92 106.250 0.112 7.455 1.00 0.00 H new ATOM 0 HA HIS A 92 106.373 -2.680 8.416 1.00 0.00 H new ATOM 0 HB2 HIS A 92 106.659 -0.110 9.442 1.00 0.00 H new ATOM 0 HB3 HIS A 92 104.986 -0.424 9.858 1.00 0.00 H new ATOM 0 HD1 HIS A 92 106.563 -0.252 12.293 1.00 0.00 H new ATOM 0 HD2 HIS A 92 106.516 -3.826 10.076 1.00 0.00 H new ATOM 0 HE1 HIS A 92 107.293 -2.130 13.862 1.00 0.00 H new ATOM 1425 N ARG A 93 103.416 -1.251 8.193 1.00 0.00 N ATOM 1426 CA ARG A 93 101.969 -1.598 8.029 1.00 0.00 C ATOM 1427 C ARG A 93 101.755 -2.426 6.757 1.00 0.00 C ATOM 1428 O ARG A 93 100.892 -3.281 6.702 1.00 0.00 O ATOM 1429 CB ARG A 93 101.242 -0.253 7.930 1.00 0.00 C ATOM 1430 CG ARG A 93 101.824 0.572 6.780 1.00 0.00 C ATOM 1431 CD ARG A 93 101.851 2.051 7.172 1.00 0.00 C ATOM 1432 NE ARG A 93 101.401 2.781 5.955 1.00 0.00 N ATOM 1433 CZ ARG A 93 100.927 3.991 6.060 1.00 0.00 C ATOM 1434 NH1 ARG A 93 99.913 4.230 6.848 1.00 0.00 N ATOM 1435 NH2 ARG A 93 101.467 4.964 5.378 1.00 0.00 N ATOM 0 H ARG A 93 103.612 -0.256 8.307 1.00 0.00 H new ATOM 0 HA ARG A 93 101.597 -2.200 8.858 1.00 0.00 H new ATOM 0 HB2 ARG A 93 100.177 -0.417 7.768 1.00 0.00 H new ATOM 0 HB3 ARG A 93 101.342 0.294 8.868 1.00 0.00 H new ATOM 0 HG2 ARG A 93 102.832 0.229 6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 93 101.224 0.435 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.191 2.247 8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 93 102.852 2.362 7.471 1.00 0.00 H new ATOM 0 HE ARG A 93 101.463 2.335 5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 93 99.492 3.470 7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 93 99.543 5.177 6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 93 102.259 4.778 4.763 1.00 0.00 H new ATOM 0 HH22 ARG A 93 101.097 5.911 5.460 1.00 0.00 H new ATOM 1449 N ALA A 94 102.531 -2.179 5.736 1.00 0.00 N ATOM 1450 CA ALA A 94 102.372 -2.948 4.474 1.00 0.00 C ATOM 1451 C ALA A 94 102.799 -4.404 4.684 1.00 0.00 C ATOM 1452 O ALA A 94 102.234 -5.315 4.113 1.00 0.00 O ATOM 1453 CB ALA A 94 103.292 -2.259 3.466 1.00 0.00 C ATOM 0 H ALA A 94 103.269 -1.475 5.724 1.00 0.00 H new ATOM 0 HA ALA A 94 101.337 -2.966 4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 94 103.229 -2.772 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 94 102.985 -1.220 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 94 104.319 -2.293 3.829 1.00 0.00 H new ATOM 1459 N GLY A 95 103.794 -4.626 5.502 1.00 0.00 N ATOM 1460 CA GLY A 95 104.262 -6.020 5.752 1.00 0.00 C ATOM 1461 C GLY A 95 105.651 -6.211 5.140 1.00 0.00 C ATOM 1462 O GLY A 95 105.918 -7.195 4.479 1.00 0.00 O ATOM 0 H GLY A 95 104.303 -3.901 6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 95 104.295 -6.217 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 95 103.561 -6.733 5.318 1.00 0.00 H new ATOM 1466 N ALA A 96 106.536 -5.275 5.355 1.00 0.00 N ATOM 1467 CA ALA A 96 107.909 -5.398 4.785 1.00 0.00 C ATOM 1468 C ALA A 96 108.876 -5.944 5.840 1.00 0.00 C ATOM 1469 O ALA A 96 108.834 -5.558 6.992 1.00 0.00 O ATOM 1470 CB ALA A 96 108.301 -3.975 4.387 1.00 0.00 C ATOM 0 H ALA A 96 106.368 -4.430 5.901 1.00 0.00 H new ATOM 0 HA ALA A 96 107.943 -6.084 3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 96 109.303 -3.980 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 96 107.593 -3.595 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 96 108.287 -3.334 5.268 1.00 0.00 H new ATOM 1476 N ARG A 97 109.749 -6.836 5.452 1.00 0.00 N ATOM 1477 CA ARG A 97 110.721 -7.405 6.431 1.00 0.00 C ATOM 1478 C ARG A 97 111.789 -6.367 6.780 1.00 0.00 C ATOM 1479 O ARG A 97 112.104 -5.498 5.990 1.00 0.00 O ATOM 1480 CB ARG A 97 111.350 -8.604 5.720 1.00 0.00 C ATOM 1481 CG ARG A 97 112.288 -9.333 6.686 1.00 0.00 C ATOM 1482 CD ARG A 97 112.979 -10.493 5.960 1.00 0.00 C ATOM 1483 NE ARG A 97 112.753 -11.685 6.826 1.00 0.00 N ATOM 1484 CZ ARG A 97 113.160 -12.862 6.434 1.00 0.00 C ATOM 1485 NH1 ARG A 97 112.501 -13.508 5.512 1.00 0.00 N ATOM 1486 NH2 ARG A 97 114.226 -13.395 6.967 1.00 0.00 N ATOM 0 H ARG A 97 109.831 -7.195 4.501 1.00 0.00 H new ATOM 0 HA ARG A 97 110.241 -7.694 7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 97 110.572 -9.282 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.902 -8.271 4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 97 113.033 -8.640 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 97 111.725 -9.710 7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 97 112.557 -10.643 4.966 1.00 0.00 H new ATOM 0 HD3 ARG A 97 114.043 -10.298 5.829 1.00 0.00 H new ATOM 0 HE ARG A 97 112.281 -11.581 7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 97 111.667 -13.094 5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 97 112.820 -14.427 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.741 -12.892 7.690 1.00 0.00 H new ATOM 0 HH22 ARG A 97 114.544 -14.315 6.661 1.00 0.00 H new ATOM 1500 N LEU A 98 112.345 -6.449 7.958 1.00 0.00 N ATOM 1501 CA LEU A 98 113.391 -5.464 8.363 1.00 0.00 C ATOM 1502 C LEU A 98 114.657 -6.182 8.854 1.00 0.00 C ATOM 1503 O LEU A 98 115.673 -5.559 9.097 1.00 0.00 O ATOM 1504 CB LEU A 98 112.756 -4.669 9.504 1.00 0.00 C ATOM 1505 CG LEU A 98 112.152 -3.375 8.960 1.00 0.00 C ATOM 1506 CD1 LEU A 98 110.667 -3.589 8.662 1.00 0.00 C ATOM 1507 CD2 LEU A 98 112.308 -2.266 10.005 1.00 0.00 C ATOM 0 H LEU A 98 112.121 -7.156 8.659 1.00 0.00 H new ATOM 0 HA LEU A 98 113.696 -4.829 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.984 -5.266 9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 98 113.506 -4.441 10.262 1.00 0.00 H new ATOM 0 HG LEU A 98 112.667 -3.089 8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 98 110.237 -2.666 8.274 1.00 0.00 H new ATOM 0 HD12 LEU A 98 110.555 -4.381 7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.149 -3.873 9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 98 111.878 -1.341 9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.791 -2.553 10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 98 113.366 -2.113 10.218 1.00 0.00 H new ATOM 1519 N ASP A 99 114.604 -7.482 9.010 1.00 0.00 N ATOM 1520 CA ASP A 99 115.806 -8.227 9.495 1.00 0.00 C ATOM 1521 C ASP A 99 116.643 -8.737 8.316 1.00 0.00 C ATOM 1522 O ASP A 99 117.161 -9.836 8.345 1.00 0.00 O ATOM 1523 CB ASP A 99 115.248 -9.400 10.305 1.00 0.00 C ATOM 1524 CG ASP A 99 114.380 -10.285 9.406 1.00 0.00 C ATOM 1525 OD1 ASP A 99 113.233 -9.932 9.191 1.00 0.00 O ATOM 1526 OD2 ASP A 99 114.879 -11.301 8.949 1.00 0.00 O ATOM 0 H ASP A 99 113.783 -8.058 8.823 1.00 0.00 H new ATOM 0 HA ASP A 99 116.463 -7.593 10.091 1.00 0.00 H new ATOM 0 HB2 ASP A 99 116.066 -9.985 10.726 1.00 0.00 H new ATOM 0 HB3 ASP A 99 114.658 -9.028 11.143 1.00 0.00 H new ATOM 1531 N VAL A 100 116.786 -7.947 7.286 1.00 0.00 N ATOM 1532 CA VAL A 100 117.598 -8.391 6.114 1.00 0.00 C ATOM 1533 C VAL A 100 118.992 -7.756 6.170 1.00 0.00 C ATOM 1534 O VAL A 100 119.163 -6.655 6.658 1.00 0.00 O ATOM 1535 CB VAL A 100 116.829 -7.906 4.881 1.00 0.00 C ATOM 1536 CG1 VAL A 100 116.764 -6.377 4.874 1.00 0.00 C ATOM 1537 CG2 VAL A 100 117.545 -8.395 3.617 1.00 0.00 C ATOM 0 H VAL A 100 116.377 -7.016 7.204 1.00 0.00 H new ATOM 0 HA VAL A 100 117.741 -9.471 6.097 1.00 0.00 H new ATOM 0 HB VAL A 100 115.815 -8.304 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 100 116.216 -6.040 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 100 116.255 -6.030 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 100 117.775 -5.970 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 100 117.002 -8.053 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 100 118.559 -7.996 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 100 117.584 -9.484 3.619 1.00 0.00 H new ATOM 1547 N CYS A 101 119.989 -8.442 5.676 1.00 0.00 N ATOM 1548 CA CYS A 101 121.372 -7.879 5.704 1.00 0.00 C ATOM 1549 C CYS A 101 121.724 -7.271 4.343 1.00 0.00 C ATOM 1550 O CYS A 101 121.189 -7.660 3.324 1.00 0.00 O ATOM 1551 CB CYS A 101 122.280 -9.072 6.008 1.00 0.00 C ATOM 1552 SG CYS A 101 121.875 -9.741 7.640 1.00 0.00 S ATOM 0 H CYS A 101 119.906 -9.367 5.255 1.00 0.00 H new ATOM 0 HA CYS A 101 121.479 -7.086 6.444 1.00 0.00 H new ATOM 0 HB2 CYS A 101 122.154 -9.842 5.247 1.00 0.00 H new ATOM 0 HB3 CYS A 101 123.325 -8.763 5.979 1.00 0.00 H new ATOM 0 HG CYS A 101 122.711 -9.275 8.520 1.00 0.00 H new ATOM 1558 N ASP A 102 122.621 -6.319 4.319 1.00 0.00 N ATOM 1559 CA ASP A 102 123.006 -5.687 3.021 1.00 0.00 C ATOM 1560 C ASP A 102 124.038 -6.555 2.294 1.00 0.00 C ATOM 1561 O ASP A 102 125.119 -6.107 1.968 1.00 0.00 O ATOM 1562 CB ASP A 102 123.607 -4.328 3.401 1.00 0.00 C ATOM 1563 CG ASP A 102 124.902 -4.530 4.196 1.00 0.00 C ATOM 1564 OD1 ASP A 102 125.043 -5.575 4.810 1.00 0.00 O ATOM 1565 OD2 ASP A 102 125.731 -3.635 4.175 1.00 0.00 O ATOM 0 H ASP A 102 123.103 -5.952 5.140 1.00 0.00 H new ATOM 0 HA ASP A 102 122.157 -5.578 2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 102 123.810 -3.747 2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 102 122.892 -3.758 3.994 1.00 0.00 H new ATOM 1570 N ALA A 103 123.703 -7.796 2.037 1.00 0.00 N ATOM 1571 CA ALA A 103 124.648 -8.721 1.330 1.00 0.00 C ATOM 1572 C ALA A 103 125.893 -8.978 2.187 1.00 0.00 C ATOM 1573 O ALA A 103 126.115 -10.074 2.663 1.00 0.00 O ATOM 1574 CB ALA A 103 125.035 -8.015 0.026 1.00 0.00 C ATOM 0 H ALA A 103 122.807 -8.213 2.289 1.00 0.00 H new ATOM 0 HA ALA A 103 124.186 -9.689 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 103 125.726 -8.643 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 103 124.140 -7.836 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 103 125.514 -7.063 0.256 1.00 0.00 H new ATOM 1580 N TRP A 104 126.708 -7.977 2.382 1.00 0.00 N ATOM 1581 CA TRP A 104 127.943 -8.162 3.203 1.00 0.00 C ATOM 1582 C TRP A 104 127.573 -8.616 4.619 1.00 0.00 C ATOM 1583 O TRP A 104 127.952 -9.686 5.054 1.00 0.00 O ATOM 1584 CB TRP A 104 128.624 -6.789 3.243 1.00 0.00 C ATOM 1585 CG TRP A 104 128.755 -6.226 1.859 1.00 0.00 C ATOM 1586 CD1 TRP A 104 128.847 -4.906 1.572 1.00 0.00 C ATOM 1587 CD2 TRP A 104 128.810 -6.925 0.577 1.00 0.00 C ATOM 1588 NE1 TRP A 104 128.954 -4.750 0.203 1.00 0.00 N ATOM 1589 CE2 TRP A 104 128.937 -5.963 -0.454 1.00 0.00 C ATOM 1590 CE3 TRP A 104 128.763 -8.284 0.208 1.00 0.00 C ATOM 1591 CZ2 TRP A 104 129.014 -6.332 -1.798 1.00 0.00 C ATOM 1592 CZ3 TRP A 104 128.840 -8.658 -1.144 1.00 0.00 C ATOM 1593 CH2 TRP A 104 128.965 -7.684 -2.144 1.00 0.00 C ATOM 0 H TRP A 104 126.573 -7.037 2.009 1.00 0.00 H new ATOM 0 HA TRP A 104 128.599 -8.923 2.781 1.00 0.00 H new ATOM 0 HB2 TRP A 104 128.045 -6.107 3.866 1.00 0.00 H new ATOM 0 HB3 TRP A 104 129.609 -6.879 3.700 1.00 0.00 H new ATOM 0 HD1 TRP A 104 128.838 -4.105 2.296 1.00 0.00 H new ATOM 0 HE1 TRP A 104 129.036 -3.847 -0.265 1.00 0.00 H new ATOM 0 HE3 TRP A 104 128.667 -9.043 0.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 129.111 -5.577 -2.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 128.803 -9.703 -1.415 1.00 0.00 H new ATOM 0 HH2 TRP A 104 129.023 -7.979 -3.181 1.00 0.00 H new ATOM 1604 N GLY A 105 126.833 -7.815 5.339 1.00 0.00 N ATOM 1605 CA GLY A 105 126.441 -8.207 6.724 1.00 0.00 C ATOM 1606 C GLY A 105 125.866 -6.997 7.466 1.00 0.00 C ATOM 1607 O GLY A 105 125.043 -7.137 8.350 1.00 0.00 O ATOM 0 H GLY A 105 126.484 -6.908 5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 105 125.702 -9.008 6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 105 127.307 -8.595 7.260 1.00 0.00 H new ATOM 1611 N ARG A 106 126.295 -5.811 7.120 1.00 0.00 N ATOM 1612 CA ARG A 106 125.772 -4.594 7.811 1.00 0.00 C ATOM 1613 C ARG A 106 124.244 -4.533 7.704 1.00 0.00 C ATOM 1614 O ARG A 106 123.686 -4.559 6.625 1.00 0.00 O ATOM 1615 CB ARG A 106 126.408 -3.413 7.075 1.00 0.00 C ATOM 1616 CG ARG A 106 127.529 -2.817 7.931 1.00 0.00 C ATOM 1617 CD ARG A 106 127.820 -1.388 7.469 1.00 0.00 C ATOM 1618 NE ARG A 106 129.224 -1.125 7.889 1.00 0.00 N ATOM 1619 CZ ARG A 106 129.727 0.074 7.771 1.00 0.00 C ATOM 1620 NH1 ARG A 106 129.531 0.757 6.676 1.00 0.00 N ATOM 1621 NH2 ARG A 106 130.424 0.588 8.746 1.00 0.00 N ATOM 0 H ARG A 106 126.984 -5.632 6.390 1.00 0.00 H new ATOM 0 HA ARG A 106 126.014 -4.591 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 106 126.806 -3.742 6.115 1.00 0.00 H new ATOM 0 HB3 ARG A 106 125.654 -2.654 6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 106 127.239 -2.819 8.982 1.00 0.00 H new ATOM 0 HG3 ARG A 106 128.428 -3.428 7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 106 127.707 -1.292 6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 106 127.132 -0.677 7.927 1.00 0.00 H new ATOM 0 HE ARG A 106 129.793 -1.882 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 106 128.986 0.354 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 106 129.923 1.694 6.582 1.00 0.00 H new ATOM 0 HH21 ARG A 106 130.576 0.053 9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 106 130.817 1.525 8.653 1.00 0.00 H new ATOM 1635 N LEU A 107 123.567 -4.452 8.818 1.00 0.00 N ATOM 1636 CA LEU A 107 122.076 -4.389 8.787 1.00 0.00 C ATOM 1637 C LEU A 107 121.616 -2.963 8.462 1.00 0.00 C ATOM 1638 O LEU A 107 122.402 -2.037 8.508 1.00 0.00 O ATOM 1639 CB LEU A 107 121.639 -4.792 10.197 1.00 0.00 C ATOM 1640 CG LEU A 107 121.936 -6.277 10.418 1.00 0.00 C ATOM 1641 CD1 LEU A 107 121.562 -6.662 11.850 1.00 0.00 C ATOM 1642 CD2 LEU A 107 121.116 -7.116 9.435 1.00 0.00 C ATOM 0 H LEU A 107 123.982 -4.427 9.749 1.00 0.00 H new ATOM 0 HA LEU A 107 121.645 -5.040 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 107 122.165 -4.191 10.938 1.00 0.00 H new ATOM 0 HB3 LEU A 107 120.574 -4.600 10.328 1.00 0.00 H new ATOM 0 HG LEU A 107 122.998 -6.463 10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 107 121.773 -7.719 12.009 1.00 0.00 H new ATOM 0 HD12 LEU A 107 122.146 -6.066 12.551 1.00 0.00 H new ATOM 0 HD13 LEU A 107 120.500 -6.475 12.011 1.00 0.00 H new ATOM 0 HD21 LEU A 107 121.329 -8.173 9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 107 120.054 -6.931 9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 107 121.381 -6.842 8.414 1.00 0.00 H new ATOM 1654 N PRO A 108 120.352 -2.827 8.146 1.00 0.00 N ATOM 1655 CA PRO A 108 119.794 -1.490 7.816 1.00 0.00 C ATOM 1656 C PRO A 108 119.739 -0.611 9.069 1.00 0.00 C ATOM 1657 O PRO A 108 119.735 0.603 8.985 1.00 0.00 O ATOM 1658 CB PRO A 108 118.391 -1.802 7.297 1.00 0.00 C ATOM 1659 CG PRO A 108 118.040 -3.118 7.910 1.00 0.00 C ATOM 1660 CD PRO A 108 119.330 -3.881 8.068 1.00 0.00 C ATOM 0 HA PRO A 108 120.393 -0.941 7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 108 117.681 -1.028 7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 108 118.375 -1.856 6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 108 117.553 -2.978 8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 108 117.342 -3.666 7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 108 119.322 -4.498 8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.506 -4.548 7.224 1.00 0.00 H new ATOM 1668 N VAL A 109 119.706 -1.213 10.226 1.00 0.00 N ATOM 1669 CA VAL A 109 119.660 -0.414 11.486 1.00 0.00 C ATOM 1670 C VAL A 109 121.041 0.182 11.778 1.00 0.00 C ATOM 1671 O VAL A 109 121.160 1.285 12.278 1.00 0.00 O ATOM 1672 CB VAL A 109 119.253 -1.410 12.577 1.00 0.00 C ATOM 1673 CG1 VAL A 109 120.339 -2.476 12.747 1.00 0.00 C ATOM 1674 CG2 VAL A 109 119.066 -0.664 13.900 1.00 0.00 C ATOM 0 H VAL A 109 119.709 -2.225 10.355 1.00 0.00 H new ATOM 0 HA VAL A 109 118.961 0.421 11.425 1.00 0.00 H new ATOM 0 HB VAL A 109 118.320 -1.893 12.288 1.00 0.00 H new ATOM 0 HG11 VAL A 109 120.040 -3.179 13.525 1.00 0.00 H new ATOM 0 HG12 VAL A 109 120.474 -3.011 11.807 1.00 0.00 H new ATOM 0 HG13 VAL A 109 121.277 -1.998 13.031 1.00 0.00 H new ATOM 0 HG21 VAL A 109 118.776 -1.370 14.678 1.00 0.00 H new ATOM 0 HG22 VAL A 109 120.001 -0.179 14.180 1.00 0.00 H new ATOM 0 HG23 VAL A 109 118.287 0.090 13.786 1.00 0.00 H new ATOM 1684 N ASP A 110 122.083 -0.542 11.466 1.00 0.00 N ATOM 1685 CA ASP A 110 123.459 -0.023 11.722 1.00 0.00 C ATOM 1686 C ASP A 110 123.737 1.178 10.809 1.00 0.00 C ATOM 1687 O ASP A 110 124.300 2.169 11.229 1.00 0.00 O ATOM 1688 CB ASP A 110 124.395 -1.208 11.416 1.00 0.00 C ATOM 1689 CG ASP A 110 125.229 -0.935 10.157 1.00 0.00 C ATOM 1690 OD1 ASP A 110 124.691 -1.076 9.071 1.00 0.00 O ATOM 1691 OD2 ASP A 110 126.390 -0.591 10.303 1.00 0.00 O ATOM 0 H ASP A 110 122.041 -1.470 11.045 1.00 0.00 H new ATOM 0 HA ASP A 110 123.600 0.330 12.743 1.00 0.00 H new ATOM 0 HB2 ASP A 110 125.056 -1.383 12.265 1.00 0.00 H new ATOM 0 HB3 ASP A 110 123.807 -2.115 11.278 1.00 0.00 H new ATOM 1696 N LEU A 111 123.341 1.094 9.566 1.00 0.00 N ATOM 1697 CA LEU A 111 123.577 2.231 8.628 1.00 0.00 C ATOM 1698 C LEU A 111 122.835 3.475 9.119 1.00 0.00 C ATOM 1699 O LEU A 111 123.262 4.591 8.901 1.00 0.00 O ATOM 1700 CB LEU A 111 123.012 1.765 7.285 1.00 0.00 C ATOM 1701 CG LEU A 111 124.080 0.973 6.529 1.00 0.00 C ATOM 1702 CD1 LEU A 111 123.427 -0.202 5.802 1.00 0.00 C ATOM 1703 CD2 LEU A 111 124.764 1.885 5.509 1.00 0.00 C ATOM 0 H LEU A 111 122.865 0.288 9.160 1.00 0.00 H new ATOM 0 HA LEU A 111 124.632 2.495 8.554 1.00 0.00 H new ATOM 0 HB2 LEU A 111 122.130 1.145 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 111 122.695 2.624 6.694 1.00 0.00 H new ATOM 0 HG LEU A 111 124.820 0.597 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 111 124.189 -0.766 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 111 122.939 -0.853 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 111 122.687 0.173 5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 111 125.525 1.321 4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 111 124.023 2.261 4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 111 125.231 2.723 6.026 1.00 0.00 H new ATOM 1715 N ALA A 112 121.729 3.286 9.787 1.00 0.00 N ATOM 1716 CA ALA A 112 120.957 4.454 10.300 1.00 0.00 C ATOM 1717 C ALA A 112 121.775 5.196 11.360 1.00 0.00 C ATOM 1718 O ALA A 112 122.288 6.272 11.123 1.00 0.00 O ATOM 1719 CB ALA A 112 119.695 3.856 10.922 1.00 0.00 C ATOM 0 H ALA A 112 121.327 2.373 10.000 1.00 0.00 H new ATOM 0 HA ALA A 112 120.721 5.172 9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 112 119.073 4.656 11.323 1.00 0.00 H new ATOM 0 HB2 ALA A 112 119.138 3.310 10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 112 119.973 3.175 11.726 1.00 0.00 H new ATOM 1725 N GLU A 113 121.897 4.625 12.529 1.00 0.00 N ATOM 1726 CA GLU A 113 122.677 5.288 13.617 1.00 0.00 C ATOM 1727 C GLU A 113 124.086 5.655 13.136 1.00 0.00 C ATOM 1728 O GLU A 113 124.731 6.524 13.690 1.00 0.00 O ATOM 1729 CB GLU A 113 122.753 4.265 14.755 1.00 0.00 C ATOM 1730 CG GLU A 113 123.141 2.894 14.203 1.00 0.00 C ATOM 1731 CD GLU A 113 123.882 2.098 15.277 1.00 0.00 C ATOM 1732 OE1 GLU A 113 125.094 2.219 15.347 1.00 0.00 O ATOM 1733 OE2 GLU A 113 123.226 1.378 16.012 1.00 0.00 O ATOM 0 H GLU A 113 121.489 3.724 12.779 1.00 0.00 H new ATOM 0 HA GLU A 113 122.202 6.216 13.935 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.484 4.588 15.496 1.00 0.00 H new ATOM 0 HB3 GLU A 113 121.791 4.202 15.263 1.00 0.00 H new ATOM 0 HG2 GLU A 113 122.249 2.353 13.886 1.00 0.00 H new ATOM 0 HG3 GLU A 113 123.773 3.011 13.322 1.00 0.00 H new ATOM 1740 N GLU A 114 124.569 5.000 12.114 1.00 0.00 N ATOM 1741 CA GLU A 114 125.939 5.311 11.606 1.00 0.00 C ATOM 1742 C GLU A 114 125.981 6.713 10.989 1.00 0.00 C ATOM 1743 O GLU A 114 126.571 7.624 11.537 1.00 0.00 O ATOM 1744 CB GLU A 114 126.215 4.250 10.539 1.00 0.00 C ATOM 1745 CG GLU A 114 127.060 3.123 11.139 1.00 0.00 C ATOM 1746 CD GLU A 114 127.666 2.276 10.016 1.00 0.00 C ATOM 1747 OE1 GLU A 114 127.655 2.728 8.882 1.00 0.00 O ATOM 1748 OE2 GLU A 114 128.133 1.187 10.310 1.00 0.00 O ATOM 0 H GLU A 114 124.076 4.264 11.609 1.00 0.00 H new ATOM 0 HA GLU A 114 126.683 5.297 12.403 1.00 0.00 H new ATOM 0 HB2 GLU A 114 125.275 3.850 10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 114 126.737 4.698 9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 114 127.852 3.541 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 114 126.444 2.499 11.786 1.00 0.00 H new ATOM 1755 N GLN A 115 125.369 6.890 9.847 1.00 0.00 N ATOM 1756 CA GLN A 115 125.382 8.230 9.186 1.00 0.00 C ATOM 1757 C GLN A 115 124.744 9.292 10.097 1.00 0.00 C ATOM 1758 O GLN A 115 125.405 9.867 10.940 1.00 0.00 O ATOM 1759 CB GLN A 115 124.574 8.045 7.898 1.00 0.00 C ATOM 1760 CG GLN A 115 125.469 7.444 6.810 1.00 0.00 C ATOM 1761 CD GLN A 115 125.338 8.265 5.526 1.00 0.00 C ATOM 1762 OE1 GLN A 115 124.535 7.953 4.669 1.00 0.00 O ATOM 1763 NE2 GLN A 115 126.101 9.310 5.354 1.00 0.00 N ATOM 0 H GLN A 115 124.860 6.164 9.343 1.00 0.00 H new ATOM 0 HA GLN A 115 126.394 8.578 8.980 1.00 0.00 H new ATOM 0 HB2 GLN A 115 123.721 7.392 8.083 1.00 0.00 H new ATOM 0 HB3 GLN A 115 124.175 9.004 7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 115 126.507 7.434 7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 115 125.185 6.409 6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 115 126.775 9.573 6.073 1.00 0.00 H new ATOM 0 HE22 GLN A 115 126.023 9.864 4.501 1.00 0.00 H new ATOM 1772 N GLY A 116 123.472 9.563 9.935 1.00 0.00 N ATOM 1773 CA GLY A 116 122.813 10.591 10.793 1.00 0.00 C ATOM 1774 C GLY A 116 121.328 10.257 10.947 1.00 0.00 C ATOM 1775 O GLY A 116 120.497 11.131 11.095 1.00 0.00 O ATOM 0 H GLY A 116 122.865 9.117 9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 116 123.292 10.624 11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 116 122.929 11.579 10.348 1.00 0.00 H new ATOM 1779 N HIS A 117 120.990 8.996 10.914 1.00 0.00 N ATOM 1780 CA HIS A 117 119.557 8.596 11.058 1.00 0.00 C ATOM 1781 C HIS A 117 119.350 7.895 12.401 1.00 0.00 C ATOM 1782 O HIS A 117 119.284 6.685 12.477 1.00 0.00 O ATOM 1783 CB HIS A 117 119.276 7.628 9.899 1.00 0.00 C ATOM 1784 CG HIS A 117 120.072 8.030 8.684 1.00 0.00 C ATOM 1785 ND1 HIS A 117 119.886 9.249 8.051 1.00 0.00 N ATOM 1786 CD2 HIS A 117 121.063 7.390 7.981 1.00 0.00 C ATOM 1787 CE1 HIS A 117 120.747 9.305 7.018 1.00 0.00 C ATOM 1788 NE2 HIS A 117 121.488 8.196 6.930 1.00 0.00 N ATOM 0 H HIS A 117 121.644 8.223 10.793 1.00 0.00 H new ATOM 0 HA HIS A 117 118.887 9.455 11.029 1.00 0.00 H new ATOM 0 HB2 HIS A 117 119.535 6.611 10.193 1.00 0.00 H new ATOM 0 HB3 HIS A 117 118.212 7.630 9.663 1.00 0.00 H new ATOM 0 HD2 HIS A 117 121.453 6.409 8.210 1.00 0.00 H new ATOM 0 HE1 HIS A 117 120.829 10.144 6.343 1.00 0.00 H new ATOM 0 HE2 HIS A 117 122.210 7.986 6.241 1.00 0.00 H new ATOM 1796 N ARG A 118 119.250 8.648 13.464 1.00 0.00 N ATOM 1797 CA ARG A 118 119.048 8.024 14.803 1.00 0.00 C ATOM 1798 C ARG A 118 117.580 7.632 14.978 1.00 0.00 C ATOM 1799 O ARG A 118 117.267 6.568 15.474 1.00 0.00 O ATOM 1800 CB ARG A 118 119.443 9.103 15.812 1.00 0.00 C ATOM 1801 CG ARG A 118 119.631 8.466 17.190 1.00 0.00 C ATOM 1802 CD ARG A 118 119.347 9.505 18.277 1.00 0.00 C ATOM 1803 NE ARG A 118 120.408 10.537 18.111 1.00 0.00 N ATOM 1804 CZ ARG A 118 121.628 10.287 18.504 1.00 0.00 C ATOM 1805 NH1 ARG A 118 121.841 9.786 19.690 1.00 0.00 N ATOM 1806 NH2 ARG A 118 122.633 10.541 17.713 1.00 0.00 N ATOM 0 H ARG A 118 119.299 9.667 13.463 1.00 0.00 H new ATOM 0 HA ARG A 118 119.639 7.117 14.932 1.00 0.00 H new ATOM 0 HB2 ARG A 118 120.365 9.592 15.496 1.00 0.00 H new ATOM 0 HB3 ARG A 118 118.673 9.873 15.857 1.00 0.00 H new ATOM 0 HG2 ARG A 118 118.961 7.614 17.303 1.00 0.00 H new ATOM 0 HG3 ARG A 118 120.648 8.087 17.291 1.00 0.00 H new ATOM 0 HD2 ARG A 118 118.354 9.938 18.159 1.00 0.00 H new ATOM 0 HD3 ARG A 118 119.384 9.057 19.270 1.00 0.00 H new ATOM 0 HE ARG A 118 120.182 11.438 17.691 1.00 0.00 H new ATOM 0 HH11 ARG A 118 121.055 9.590 20.309 1.00 0.00 H new ATOM 0 HH12 ARG A 118 122.794 9.591 19.997 1.00 0.00 H new ATOM 0 HH21 ARG A 118 122.466 10.935 16.787 1.00 0.00 H new ATOM 0 HH22 ARG A 118 123.586 10.346 18.020 1.00 0.00 H new ATOM 1820 N ASP A 119 116.678 8.484 14.566 1.00 0.00 N ATOM 1821 CA ASP A 119 115.228 8.163 14.699 1.00 0.00 C ATOM 1822 C ASP A 119 114.902 6.879 13.931 1.00 0.00 C ATOM 1823 O ASP A 119 114.104 6.069 14.364 1.00 0.00 O ATOM 1824 CB ASP A 119 114.490 9.364 14.095 1.00 0.00 C ATOM 1825 CG ASP A 119 114.886 9.538 12.624 1.00 0.00 C ATOM 1826 OD1 ASP A 119 116.051 9.357 12.314 1.00 0.00 O ATOM 1827 OD2 ASP A 119 114.011 9.851 11.832 1.00 0.00 O ATOM 0 H ASP A 119 116.884 9.389 14.143 1.00 0.00 H new ATOM 0 HA ASP A 119 114.935 7.995 15.735 1.00 0.00 H new ATOM 0 HB2 ASP A 119 113.413 9.217 14.175 1.00 0.00 H new ATOM 0 HB3 ASP A 119 114.731 10.268 14.654 1.00 0.00 H new ATOM 1832 N ILE A 120 115.520 6.684 12.797 1.00 0.00 N ATOM 1833 CA ILE A 120 115.257 5.450 12.003 1.00 0.00 C ATOM 1834 C ILE A 120 116.063 4.280 12.581 1.00 0.00 C ATOM 1835 O ILE A 120 115.645 3.140 12.535 1.00 0.00 O ATOM 1836 CB ILE A 120 115.697 5.802 10.573 1.00 0.00 C ATOM 1837 CG1 ILE A 120 114.848 5.015 9.573 1.00 0.00 C ATOM 1838 CG2 ILE A 120 117.175 5.461 10.361 1.00 0.00 C ATOM 1839 CD1 ILE A 120 114.754 5.796 8.262 1.00 0.00 C ATOM 0 H ILE A 120 116.197 7.327 12.386 1.00 0.00 H new ATOM 0 HA ILE A 120 114.212 5.139 12.025 1.00 0.00 H new ATOM 0 HB ILE A 120 115.560 6.872 10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 120 115.291 4.035 9.395 1.00 0.00 H new ATOM 0 HG13 ILE A 120 113.851 4.845 9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 120 117.465 5.718 9.342 1.00 0.00 H new ATOM 0 HG22 ILE A 120 117.784 6.027 11.066 1.00 0.00 H new ATOM 0 HG23 ILE A 120 117.329 4.394 10.524 1.00 0.00 H new ATOM 0 HD11 ILE A 120 114.149 5.237 7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 120 114.292 6.765 8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 120 115.754 5.943 7.854 1.00 0.00 H new ATOM 1851 N ALA A 121 117.210 4.563 13.136 1.00 0.00 N ATOM 1852 CA ALA A 121 118.047 3.482 13.735 1.00 0.00 C ATOM 1853 C ALA A 121 117.310 2.849 14.911 1.00 0.00 C ATOM 1854 O ALA A 121 117.123 1.651 14.982 1.00 0.00 O ATOM 1855 CB ALA A 121 119.301 4.191 14.239 1.00 0.00 C ATOM 0 H ALA A 121 117.606 5.501 13.201 1.00 0.00 H new ATOM 0 HA ALA A 121 118.274 2.691 13.020 1.00 0.00 H new ATOM 0 HB1 ALA A 121 119.972 3.463 14.696 1.00 0.00 H new ATOM 0 HB2 ALA A 121 119.806 4.675 13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 121 119.022 4.942 14.979 1.00 0.00 H new ATOM 1861 N ARG A 122 116.901 3.663 15.837 1.00 0.00 N ATOM 1862 CA ARG A 122 116.178 3.156 17.034 1.00 0.00 C ATOM 1863 C ARG A 122 114.898 2.417 16.612 1.00 0.00 C ATOM 1864 O ARG A 122 114.670 1.288 16.999 1.00 0.00 O ATOM 1865 CB ARG A 122 115.886 4.431 17.839 1.00 0.00 C ATOM 1866 CG ARG A 122 114.576 4.325 18.618 1.00 0.00 C ATOM 1867 CD ARG A 122 114.095 5.735 18.942 1.00 0.00 C ATOM 1868 NE ARG A 122 112.918 5.545 19.833 1.00 0.00 N ATOM 1869 CZ ARG A 122 111.768 5.201 19.324 1.00 0.00 C ATOM 1870 NH1 ARG A 122 111.289 5.849 18.298 1.00 0.00 N ATOM 1871 NH2 ARG A 122 111.096 4.208 19.840 1.00 0.00 N ATOM 0 H ARG A 122 117.038 4.674 15.817 1.00 0.00 H new ATOM 0 HA ARG A 122 116.743 2.430 17.618 1.00 0.00 H new ATOM 0 HB2 ARG A 122 116.706 4.619 18.532 1.00 0.00 H new ATOM 0 HB3 ARG A 122 115.838 5.284 17.163 1.00 0.00 H new ATOM 0 HG2 ARG A 122 113.827 3.794 18.030 1.00 0.00 H new ATOM 0 HG3 ARG A 122 114.725 3.755 19.535 1.00 0.00 H new ATOM 0 HD2 ARG A 122 114.875 6.314 19.436 1.00 0.00 H new ATOM 0 HD3 ARG A 122 113.821 6.277 18.036 1.00 0.00 H new ATOM 0 HE ARG A 122 113.011 5.684 20.839 1.00 0.00 H new ATOM 0 HH11 ARG A 122 111.814 6.625 17.894 1.00 0.00 H new ATOM 0 HH12 ARG A 122 110.389 5.580 17.900 1.00 0.00 H new ATOM 0 HH21 ARG A 122 111.471 3.701 20.642 1.00 0.00 H new ATOM 0 HH22 ARG A 122 110.196 3.939 19.441 1.00 0.00 H new ATOM 1885 N TYR A 123 114.063 3.042 15.826 1.00 0.00 N ATOM 1886 CA TYR A 123 112.804 2.364 15.391 1.00 0.00 C ATOM 1887 C TYR A 123 113.129 1.094 14.598 1.00 0.00 C ATOM 1888 O TYR A 123 112.348 0.162 14.554 1.00 0.00 O ATOM 1889 CB TYR A 123 112.086 3.381 14.502 1.00 0.00 C ATOM 1890 CG TYR A 123 110.743 2.828 14.090 1.00 0.00 C ATOM 1891 CD1 TYR A 123 109.693 2.776 15.014 1.00 0.00 C ATOM 1892 CD2 TYR A 123 110.548 2.366 12.783 1.00 0.00 C ATOM 1893 CE1 TYR A 123 108.447 2.263 14.631 1.00 0.00 C ATOM 1894 CE2 TYR A 123 109.304 1.853 12.399 1.00 0.00 C ATOM 1895 CZ TYR A 123 108.253 1.802 13.323 1.00 0.00 C ATOM 1896 OH TYR A 123 107.026 1.297 12.945 1.00 0.00 O ATOM 0 H TYR A 123 114.195 3.988 15.467 1.00 0.00 H new ATOM 0 HA TYR A 123 112.190 2.060 16.239 1.00 0.00 H new ATOM 0 HB2 TYR A 123 111.955 4.321 15.038 1.00 0.00 H new ATOM 0 HB3 TYR A 123 112.688 3.598 13.620 1.00 0.00 H new ATOM 0 HD1 TYR A 123 109.843 3.132 16.023 1.00 0.00 H new ATOM 0 HD2 TYR A 123 111.358 2.406 12.070 1.00 0.00 H new ATOM 0 HE1 TYR A 123 107.637 2.223 15.344 1.00 0.00 H new ATOM 0 HE2 TYR A 123 109.155 1.497 11.391 1.00 0.00 H new ATOM 0 HH TYR A 123 106.739 1.725 12.111 1.00 0.00 H new ATOM 1906 N LEU A 124 114.272 1.051 13.967 1.00 0.00 N ATOM 1907 CA LEU A 124 114.641 -0.157 13.172 1.00 0.00 C ATOM 1908 C LEU A 124 114.849 -1.367 14.091 1.00 0.00 C ATOM 1909 O LEU A 124 114.173 -2.369 13.965 1.00 0.00 O ATOM 1910 CB LEU A 124 115.946 0.214 12.467 1.00 0.00 C ATOM 1911 CG LEU A 124 115.648 0.610 11.019 1.00 0.00 C ATOM 1912 CD1 LEU A 124 116.855 1.341 10.429 1.00 0.00 C ATOM 1913 CD2 LEU A 124 115.362 -0.648 10.196 1.00 0.00 C ATOM 0 H LEU A 124 114.966 1.799 13.967 1.00 0.00 H new ATOM 0 HA LEU A 124 113.859 -0.434 12.465 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.432 1.039 12.988 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.637 -0.629 12.490 1.00 0.00 H new ATOM 0 HG LEU A 124 114.779 1.267 10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 124 116.642 1.622 9.398 1.00 0.00 H new ATOM 0 HD12 LEU A 124 117.060 2.237 11.015 1.00 0.00 H new ATOM 0 HD13 LEU A 124 117.725 0.685 10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 124 115.150 -0.367 9.164 1.00 0.00 H new ATOM 0 HD22 LEU A 124 116.231 -1.305 10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 124 114.501 -1.169 10.615 1.00 0.00 H new ATOM 1925 N HIS A 125 115.780 -1.286 15.009 1.00 0.00 N ATOM 1926 CA HIS A 125 116.025 -2.445 15.925 1.00 0.00 C ATOM 1927 C HIS A 125 114.728 -2.852 16.636 1.00 0.00 C ATOM 1928 O HIS A 125 114.570 -3.981 17.060 1.00 0.00 O ATOM 1929 CB HIS A 125 117.087 -1.959 16.927 1.00 0.00 C ATOM 1930 CG HIS A 125 116.471 -1.083 17.990 1.00 0.00 C ATOM 1931 ND1 HIS A 125 116.854 0.236 18.171 1.00 0.00 N ATOM 1932 CD2 HIS A 125 115.515 -1.329 18.948 1.00 0.00 C ATOM 1933 CE1 HIS A 125 116.140 0.730 19.200 1.00 0.00 C ATOM 1934 NE2 HIS A 125 115.310 -0.182 19.710 1.00 0.00 N ATOM 0 H HIS A 125 116.378 -0.474 15.164 1.00 0.00 H new ATOM 0 HA HIS A 125 116.367 -3.329 15.386 1.00 0.00 H new ATOM 0 HB2 HIS A 125 117.570 -2.817 17.394 1.00 0.00 H new ATOM 0 HB3 HIS A 125 117.863 -1.404 16.399 1.00 0.00 H new ATOM 0 HD2 HIS A 125 115.002 -2.269 19.088 1.00 0.00 H new ATOM 0 HE1 HIS A 125 116.228 1.742 19.568 1.00 0.00 H new ATOM 0 HE2 HIS A 125 114.664 -0.064 20.491 1.00 0.00 H new ATOM 1942 N ALA A 126 113.804 -1.939 16.770 1.00 0.00 N ATOM 1943 CA ALA A 126 112.521 -2.267 17.456 1.00 0.00 C ATOM 1944 C ALA A 126 111.602 -3.068 16.528 1.00 0.00 C ATOM 1945 O ALA A 126 110.740 -3.798 16.975 1.00 0.00 O ATOM 1946 CB ALA A 126 111.893 -0.912 17.789 1.00 0.00 C ATOM 0 H ALA A 126 113.882 -0.979 16.434 1.00 0.00 H new ATOM 0 HA ALA A 126 112.678 -2.878 18.345 1.00 0.00 H new ATOM 0 HB1 ALA A 126 110.941 -1.067 18.298 1.00 0.00 H new ATOM 0 HB2 ALA A 126 112.564 -0.350 18.438 1.00 0.00 H new ATOM 0 HB3 ALA A 126 111.725 -0.353 16.869 1.00 0.00 H new ATOM 1952 N ALA A 127 111.773 -2.929 15.240 1.00 0.00 N ATOM 1953 CA ALA A 127 110.898 -3.676 14.287 1.00 0.00 C ATOM 1954 C ALA A 127 111.671 -4.813 13.607 1.00 0.00 C ATOM 1955 O ALA A 127 111.090 -5.774 13.143 1.00 0.00 O ATOM 1956 CB ALA A 127 110.462 -2.635 13.257 1.00 0.00 C ATOM 0 H ALA A 127 112.478 -2.333 14.807 1.00 0.00 H new ATOM 0 HA ALA A 127 110.051 -4.140 14.792 1.00 0.00 H new ATOM 0 HB1 ALA A 127 109.813 -3.104 12.517 1.00 0.00 H new ATOM 0 HB2 ALA A 127 109.920 -1.833 13.758 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.341 -2.224 12.760 1.00 0.00 H new ATOM 1962 N THR A 128 112.972 -4.709 13.533 1.00 0.00 N ATOM 1963 CA THR A 128 113.769 -5.785 12.869 1.00 0.00 C ATOM 1964 C THR A 128 114.232 -6.834 13.889 1.00 0.00 C ATOM 1965 O THR A 128 115.111 -7.627 13.616 1.00 0.00 O ATOM 1966 CB THR A 128 114.971 -5.062 12.255 1.00 0.00 C ATOM 1967 OG1 THR A 128 115.751 -5.989 11.516 1.00 0.00 O ATOM 1968 CG2 THR A 128 115.826 -4.443 13.359 1.00 0.00 C ATOM 0 H THR A 128 113.516 -3.929 13.902 1.00 0.00 H new ATOM 0 HA THR A 128 113.185 -6.322 12.122 1.00 0.00 H new ATOM 0 HB THR A 128 114.615 -4.272 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 128 116.088 -5.558 10.703 1.00 0.00 H new ATOM 0 HG21 THR A 128 116.679 -3.931 12.914 1.00 0.00 H new ATOM 0 HG22 THR A 128 115.228 -3.729 13.925 1.00 0.00 H new ATOM 0 HG23 THR A 128 116.182 -5.228 14.027 1.00 0.00 H new