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 46 MET CE :methyl -110:sc= -7.67! (180deg=-13.9!) USER MOD Set 1.2: A 48 MET CE :methyl 154:sc= -6.8! (180deg=-9.6!) USER MOD Set 2.1: A 18 GLN : amide:sc= -1.34 K(o=-2.4,f=-1.3) USER MOD Set 2.2: A 21 THR OG1 : rot -179:sc= -1.07 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.86) USER MOD Single : A 33 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.015) USER MOD Single : A 36 ASN : amide:sc= -1.06 K(o=-1.1,f=-5.4!) USER MOD Single : A 44 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.018) USER MOD Single : A 47 MET CE :methyl -116:sc= -4.28! (180deg=-11.5!) USER MOD Single : A 50 SER OG : rot 100:sc= 0.829 USER MOD Single : A 52 GLN : amide:sc= -1.88 X(o=-1.9,f=-1.5) USER MOD Single : A 60 HIS : no HE2:sc= -4.3 K(o=-4.3,f=-8.8!) USER MOD Single : A 65 ASN : amide:sc= -1.96 K(o=-2,f=-0.39) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 73 THR OG1 : rot -161:sc= -1.44 USER MOD Single : A 77 HIS : no HE2:sc= -5.99! K(o=-6!,f=-4.9) USER MOD Single : A 87 THR OG1 : rot 85:sc= -0.5 USER MOD Single : A 92 HIS : no HD1:sc= -0.485 X(o=-0.49,f=-0.23) USER MOD Single : A 101 CYS SG : rot 180:sc= -3.41! USER MOD Single : A 115 GLN : amide:sc= 1.08 K(o=1.1,f=-0.2) USER MOD Single : A 117 HIS : no HD1:sc= -8.42! C(o=-8.4!,f=-12!) USER MOD Single : A 123 TYR OH : rot 30:sc= 0 USER MOD Single : A 125 HIS : no HD1:sc= -6.76! C(o=-6.8!,f=-8.2!) USER MOD Single : A 128 THR OG1 : rot -27:sc= -1.08! USER MOD ----------------------------------------------------------------- ATOM 150 N ASP A 7 107.725 1.477 -18.283 1.00 0.00 N ATOM 151 CA ASP A 7 107.016 0.396 -17.532 1.00 0.00 C ATOM 152 C ASP A 7 106.914 0.768 -16.049 1.00 0.00 C ATOM 153 O ASP A 7 106.116 0.219 -15.315 1.00 0.00 O ATOM 154 CB ASP A 7 107.880 -0.855 -17.711 1.00 0.00 C ATOM 155 CG ASP A 7 107.152 -1.856 -18.612 1.00 0.00 C ATOM 156 OD1 ASP A 7 106.777 -1.472 -19.708 1.00 0.00 O ATOM 157 OD2 ASP A 7 106.982 -2.988 -18.190 1.00 0.00 O ATOM 0 HA ASP A 7 106.000 0.241 -17.896 1.00 0.00 H new ATOM 0 HB2 ASP A 7 108.841 -0.586 -18.150 1.00 0.00 H new ATOM 0 HB3 ASP A 7 108.088 -1.307 -16.741 1.00 0.00 H new ATOM 162 N ALA A 8 107.717 1.700 -15.605 1.00 0.00 N ATOM 163 CA ALA A 8 107.669 2.111 -14.173 1.00 0.00 C ATOM 164 C ALA A 8 108.032 3.591 -14.038 1.00 0.00 C ATOM 165 O ALA A 8 108.877 3.964 -13.245 1.00 0.00 O ATOM 166 CB ALA A 8 108.709 1.236 -13.474 1.00 0.00 C ATOM 0 H ALA A 8 108.404 2.194 -16.174 1.00 0.00 H new ATOM 0 HA ALA A 8 106.677 1.987 -13.739 1.00 0.00 H new ATOM 0 HB1 ALA A 8 108.734 1.479 -12.412 1.00 0.00 H new ATOM 0 HB2 ALA A 8 108.445 0.186 -13.600 1.00 0.00 H new ATOM 0 HB3 ALA A 8 109.691 1.418 -13.911 1.00 0.00 H new ATOM 172 N GLY A 9 107.399 4.440 -14.804 1.00 0.00 N ATOM 173 CA GLY A 9 107.704 5.897 -14.714 1.00 0.00 C ATOM 174 C GLY A 9 107.529 6.354 -13.265 1.00 0.00 C ATOM 175 O GLY A 9 108.163 7.290 -12.815 1.00 0.00 O ATOM 0 H GLY A 9 106.685 4.187 -15.487 1.00 0.00 H new ATOM 0 HA2 GLY A 9 108.723 6.090 -15.049 1.00 0.00 H new ATOM 0 HA3 GLY A 9 107.041 6.462 -15.369 1.00 0.00 H new ATOM 179 N LEU A 10 106.677 5.689 -12.529 1.00 0.00 N ATOM 180 CA LEU A 10 106.458 6.067 -11.102 1.00 0.00 C ATOM 181 C LEU A 10 107.781 5.998 -10.337 1.00 0.00 C ATOM 182 O LEU A 10 108.029 6.771 -9.434 1.00 0.00 O ATOM 183 CB LEU A 10 105.466 5.033 -10.558 1.00 0.00 C ATOM 184 CG LEU A 10 106.030 3.620 -10.745 1.00 0.00 C ATOM 185 CD1 LEU A 10 106.821 3.213 -9.497 1.00 0.00 C ATOM 186 CD2 LEU A 10 104.873 2.639 -10.960 1.00 0.00 C ATOM 0 H LEU A 10 106.122 4.898 -12.856 1.00 0.00 H new ATOM 0 HA LEU A 10 106.078 7.083 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 10 105.275 5.221 -9.501 1.00 0.00 H new ATOM 0 HB3 LEU A 10 104.511 5.124 -11.076 1.00 0.00 H new ATOM 0 HG LEU A 10 106.691 3.603 -11.612 1.00 0.00 H new ATOM 0 HD11 LEU A 10 107.221 2.208 -9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 10 107.642 3.913 -9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 10 106.163 3.228 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 10 105.269 1.632 -11.094 1.00 0.00 H new ATOM 0 HD22 LEU A 10 104.214 2.657 -10.092 1.00 0.00 H new ATOM 0 HD23 LEU A 10 104.311 2.928 -11.848 1.00 0.00 H new ATOM 198 N ALA A 11 108.637 5.079 -10.701 1.00 0.00 N ATOM 199 CA ALA A 11 109.948 4.963 -10.003 1.00 0.00 C ATOM 200 C ALA A 11 110.886 6.072 -10.479 1.00 0.00 C ATOM 201 O ALA A 11 111.621 6.651 -9.704 1.00 0.00 O ATOM 202 CB ALA A 11 110.491 3.588 -10.395 1.00 0.00 C ATOM 0 H ALA A 11 108.483 4.405 -11.451 1.00 0.00 H new ATOM 0 HA ALA A 11 109.855 5.063 -8.922 1.00 0.00 H new ATOM 0 HB1 ALA A 11 111.458 3.429 -9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 11 109.794 2.815 -10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 11 110.608 3.538 -11.478 1.00 0.00 H new ATOM 208 N THR A 12 110.859 6.378 -11.751 1.00 0.00 N ATOM 209 CA THR A 12 111.744 7.459 -12.277 1.00 0.00 C ATOM 210 C THR A 12 111.380 8.793 -11.619 1.00 0.00 C ATOM 211 O THR A 12 112.218 9.460 -11.042 1.00 0.00 O ATOM 212 CB THR A 12 111.470 7.509 -13.781 1.00 0.00 C ATOM 213 OG1 THR A 12 111.723 6.231 -14.349 1.00 0.00 O ATOM 214 CG2 THR A 12 112.381 8.549 -14.434 1.00 0.00 C ATOM 0 H THR A 12 110.264 5.927 -12.446 1.00 0.00 H new ATOM 0 HA THR A 12 112.797 7.272 -12.067 1.00 0.00 H new ATOM 0 HB THR A 12 110.429 7.784 -13.952 1.00 0.00 H new ATOM 0 HG1 THR A 12 111.546 6.260 -15.312 1.00 0.00 H new ATOM 0 HG21 THR A 12 112.184 8.583 -15.506 1.00 0.00 H new ATOM 0 HG22 THR A 12 112.186 9.529 -13.998 1.00 0.00 H new ATOM 0 HG23 THR A 12 113.423 8.277 -14.265 1.00 0.00 H new ATOM 222 N ALA A 13 110.134 9.182 -11.694 1.00 0.00 N ATOM 223 CA ALA A 13 109.716 10.468 -11.065 1.00 0.00 C ATOM 224 C ALA A 13 109.899 10.386 -9.547 1.00 0.00 C ATOM 225 O ALA A 13 110.204 11.365 -8.894 1.00 0.00 O ATOM 226 CB ALA A 13 108.237 10.631 -11.421 1.00 0.00 C ATOM 0 H ALA A 13 109.390 8.665 -12.163 1.00 0.00 H new ATOM 0 HA ALA A 13 110.308 11.313 -11.417 1.00 0.00 H new ATOM 0 HB1 ALA A 13 107.859 11.558 -10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 13 108.125 10.662 -12.505 1.00 0.00 H new ATOM 0 HB3 ALA A 13 107.672 9.789 -11.022 1.00 0.00 H new ATOM 232 N ALA A 14 109.727 9.222 -8.981 1.00 0.00 N ATOM 233 CA ALA A 14 109.903 9.079 -7.508 1.00 0.00 C ATOM 234 C ALA A 14 111.374 9.296 -7.146 1.00 0.00 C ATOM 235 O ALA A 14 111.697 9.805 -6.090 1.00 0.00 O ATOM 236 CB ALA A 14 109.474 7.649 -7.187 1.00 0.00 C ATOM 0 H ALA A 14 109.473 8.366 -9.474 1.00 0.00 H new ATOM 0 HA ALA A 14 109.318 9.806 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 14 109.577 7.470 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.434 7.507 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 14 110.105 6.948 -7.734 1.00 0.00 H new ATOM 242 N ALA A 15 112.267 8.915 -8.022 1.00 0.00 N ATOM 243 CA ALA A 15 113.719 9.099 -7.741 1.00 0.00 C ATOM 244 C ALA A 15 114.081 10.586 -7.804 1.00 0.00 C ATOM 245 O ALA A 15 115.015 11.033 -7.166 1.00 0.00 O ATOM 246 CB ALA A 15 114.440 8.318 -8.840 1.00 0.00 C ATOM 0 H ALA A 15 112.051 8.484 -8.921 1.00 0.00 H new ATOM 0 HA ALA A 15 113.998 8.747 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.518 8.405 -8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.152 7.268 -8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 15 114.166 8.723 -9.814 1.00 0.00 H new ATOM 252 N ARG A 16 113.347 11.356 -8.566 1.00 0.00 N ATOM 253 CA ARG A 16 113.652 12.816 -8.661 1.00 0.00 C ATOM 254 C ARG A 16 112.700 13.621 -7.766 1.00 0.00 C ATOM 255 O ARG A 16 112.529 14.812 -7.939 1.00 0.00 O ATOM 256 CB ARG A 16 113.470 13.182 -10.140 1.00 0.00 C ATOM 257 CG ARG A 16 112.016 12.970 -10.569 1.00 0.00 C ATOM 258 CD ARG A 16 111.900 13.168 -12.083 1.00 0.00 C ATOM 259 NE ARG A 16 110.478 13.545 -12.319 1.00 0.00 N ATOM 260 CZ ARG A 16 110.136 14.128 -13.435 1.00 0.00 C ATOM 261 NH1 ARG A 16 110.426 15.386 -13.630 1.00 0.00 N ATOM 262 NH2 ARG A 16 109.506 13.454 -14.358 1.00 0.00 N ATOM 0 H ARG A 16 112.554 11.039 -9.124 1.00 0.00 H new ATOM 0 HA ARG A 16 114.662 13.045 -8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 16 113.755 14.222 -10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 16 114.130 12.571 -10.756 1.00 0.00 H new ATOM 0 HG2 ARG A 16 111.687 11.967 -10.296 1.00 0.00 H new ATOM 0 HG3 ARG A 16 111.365 13.672 -10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 16 112.577 13.948 -12.431 1.00 0.00 H new ATOM 0 HD3 ARG A 16 112.160 12.256 -12.621 1.00 0.00 H new ATOM 0 HE ARG A 16 109.773 13.348 -11.609 1.00 0.00 H new ATOM 0 HH11 ARG A 16 110.920 15.913 -12.910 1.00 0.00 H new ATOM 0 HH12 ARG A 16 110.159 15.842 -14.502 1.00 0.00 H new ATOM 0 HH21 ARG A 16 109.281 12.471 -14.207 1.00 0.00 H new ATOM 0 HH22 ARG A 16 109.239 13.911 -15.230 1.00 0.00 H new ATOM 276 N GLY A 17 112.096 12.979 -6.798 1.00 0.00 N ATOM 277 CA GLY A 17 111.172 13.699 -5.871 1.00 0.00 C ATOM 278 C GLY A 17 109.976 14.272 -6.635 1.00 0.00 C ATOM 279 O GLY A 17 109.954 15.436 -6.986 1.00 0.00 O ATOM 0 H GLY A 17 112.204 11.982 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 17 110.822 13.017 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 17 111.708 14.504 -5.368 1.00 0.00 H new ATOM 283 N GLN A 18 108.972 13.471 -6.880 1.00 0.00 N ATOM 284 CA GLN A 18 107.768 13.978 -7.604 1.00 0.00 C ATOM 285 C GLN A 18 106.525 13.184 -7.184 1.00 0.00 C ATOM 286 O GLN A 18 105.992 12.399 -7.943 1.00 0.00 O ATOM 287 CB GLN A 18 108.067 13.762 -9.091 1.00 0.00 C ATOM 288 CG GLN A 18 108.757 15.004 -9.670 1.00 0.00 C ATOM 289 CD GLN A 18 107.827 16.214 -9.557 1.00 0.00 C ATOM 290 OE1 GLN A 18 106.623 16.082 -9.648 1.00 0.00 O ATOM 291 NE2 GLN A 18 108.340 17.398 -9.362 1.00 0.00 N ATOM 0 H GLN A 18 108.933 12.488 -6.610 1.00 0.00 H new ATOM 0 HA GLN A 18 107.568 15.026 -7.381 1.00 0.00 H new ATOM 0 HB2 GLN A 18 108.705 12.888 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 18 107.142 13.564 -9.632 1.00 0.00 H new ATOM 0 HG2 GLN A 18 109.687 15.197 -9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 18 109.020 14.832 -10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 18 109.351 17.509 -9.285 1.00 0.00 H new ATOM 0 HE22 GLN A 18 107.730 18.212 -9.286 1.00 0.00 H new ATOM 300 N VAL A 19 106.059 13.384 -5.976 1.00 0.00 N ATOM 301 CA VAL A 19 104.848 12.643 -5.502 1.00 0.00 C ATOM 302 C VAL A 19 103.671 12.906 -6.450 1.00 0.00 C ATOM 303 O VAL A 19 102.933 12.006 -6.800 1.00 0.00 O ATOM 304 CB VAL A 19 104.564 13.203 -4.099 1.00 0.00 C ATOM 305 CG1 VAL A 19 103.142 12.834 -3.654 1.00 0.00 C ATOM 306 CG2 VAL A 19 105.569 12.615 -3.104 1.00 0.00 C ATOM 0 H VAL A 19 106.465 14.028 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 19 104.998 11.564 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 19 104.658 14.289 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.956 13.238 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.421 13.253 -4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 19 103.038 11.749 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 19 105.369 13.011 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 19 105.473 11.529 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 19 106.581 12.886 -3.406 1.00 0.00 H new ATOM 316 N GLU A 20 103.490 14.132 -6.862 1.00 0.00 N ATOM 317 CA GLU A 20 102.359 14.454 -7.782 1.00 0.00 C ATOM 318 C GLU A 20 102.442 13.604 -9.054 1.00 0.00 C ATOM 319 O GLU A 20 101.492 12.949 -9.433 1.00 0.00 O ATOM 320 CB GLU A 20 102.526 15.937 -8.119 1.00 0.00 C ATOM 321 CG GLU A 20 101.155 16.617 -8.130 1.00 0.00 C ATOM 322 CD GLU A 20 101.338 18.134 -8.186 1.00 0.00 C ATOM 323 OE1 GLU A 20 101.728 18.702 -7.179 1.00 0.00 O ATOM 324 OE2 GLU A 20 101.084 18.704 -9.235 1.00 0.00 O ATOM 0 H GLU A 20 104.076 14.925 -6.602 1.00 0.00 H new ATOM 0 HA GLU A 20 101.391 14.245 -7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 20 103.175 16.416 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 20 103.006 16.048 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 20 100.576 16.278 -8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.593 16.341 -7.238 1.00 0.00 H new ATOM 331 N THR A 21 103.570 13.611 -9.714 1.00 0.00 N ATOM 332 CA THR A 21 103.707 12.802 -10.963 1.00 0.00 C ATOM 333 C THR A 21 103.582 11.309 -10.644 1.00 0.00 C ATOM 334 O THR A 21 102.951 10.563 -11.366 1.00 0.00 O ATOM 335 CB THR A 21 105.105 13.117 -11.504 1.00 0.00 C ATOM 336 OG1 THR A 21 105.479 14.436 -11.128 1.00 0.00 O ATOM 337 CG2 THR A 21 105.098 13.004 -13.029 1.00 0.00 C ATOM 0 H THR A 21 104.400 14.139 -9.445 1.00 0.00 H new ATOM 0 HA THR A 21 102.930 13.041 -11.689 1.00 0.00 H new ATOM 0 HB THR A 21 105.821 12.408 -11.089 1.00 0.00 H new ATOM 0 HG1 THR A 21 106.368 14.639 -11.488 1.00 0.00 H new ATOM 0 HG21 THR A 21 106.092 13.228 -13.415 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.816 11.991 -13.318 1.00 0.00 H new ATOM 0 HG23 THR A 21 104.380 13.712 -13.443 1.00 0.00 H new ATOM 345 N VAL A 22 104.180 10.872 -9.569 1.00 0.00 N ATOM 346 CA VAL A 22 104.098 9.426 -9.202 1.00 0.00 C ATOM 347 C VAL A 22 102.644 9.040 -8.912 1.00 0.00 C ATOM 348 O VAL A 22 102.198 7.964 -9.260 1.00 0.00 O ATOM 349 CB VAL A 22 104.960 9.285 -7.943 1.00 0.00 C ATOM 350 CG1 VAL A 22 104.951 7.828 -7.472 1.00 0.00 C ATOM 351 CG2 VAL A 22 106.399 9.707 -8.258 1.00 0.00 C ATOM 0 H VAL A 22 104.722 11.452 -8.928 1.00 0.00 H new ATOM 0 HA VAL A 22 104.445 8.773 -10.003 1.00 0.00 H new ATOM 0 HB VAL A 22 104.555 9.923 -7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 22 105.565 7.731 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 22 103.929 7.525 -7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 22 105.353 7.189 -8.258 1.00 0.00 H new ATOM 0 HG21 VAL A 22 107.012 9.607 -7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 22 106.801 9.070 -9.046 1.00 0.00 H new ATOM 0 HG23 VAL A 22 106.409 10.745 -8.590 1.00 0.00 H new ATOM 361 N ARG A 23 101.904 9.912 -8.282 1.00 0.00 N ATOM 362 CA ARG A 23 100.477 9.599 -7.972 1.00 0.00 C ATOM 363 C ARG A 23 99.650 9.573 -9.262 1.00 0.00 C ATOM 364 O ARG A 23 98.616 8.937 -9.332 1.00 0.00 O ATOM 365 CB ARG A 23 100.011 10.736 -7.060 1.00 0.00 C ATOM 366 CG ARG A 23 100.729 10.634 -5.713 1.00 0.00 C ATOM 367 CD ARG A 23 100.041 9.576 -4.848 1.00 0.00 C ATOM 368 NE ARG A 23 99.016 10.322 -4.066 1.00 0.00 N ATOM 369 CZ ARG A 23 99.063 10.327 -2.761 1.00 0.00 C ATOM 370 NH1 ARG A 23 99.425 9.252 -2.115 1.00 0.00 N ATOM 371 NH2 ARG A 23 98.746 11.407 -2.100 1.00 0.00 N ATOM 0 H ARG A 23 102.225 10.828 -7.968 1.00 0.00 H new ATOM 0 HA ARG A 23 100.361 8.624 -7.499 1.00 0.00 H new ATOM 0 HB2 ARG A 23 100.222 11.699 -7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 23 98.932 10.681 -6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 23 101.776 10.370 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 23 100.714 11.599 -5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 23 99.582 8.802 -5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 23 100.754 9.079 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 23 98.276 10.830 -4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 23 99.672 8.407 -2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 23 99.461 9.257 -1.096 1.00 0.00 H new ATOM 0 HH21 ARG A 23 98.461 12.248 -2.603 1.00 0.00 H new ATOM 0 HH22 ARG A 23 98.783 11.410 -1.081 1.00 0.00 H new ATOM 385 N GLN A 24 100.095 10.261 -10.279 1.00 0.00 N ATOM 386 CA GLN A 24 99.334 10.279 -11.563 1.00 0.00 C ATOM 387 C GLN A 24 99.601 8.999 -12.362 1.00 0.00 C ATOM 388 O GLN A 24 98.686 8.306 -12.760 1.00 0.00 O ATOM 389 CB GLN A 24 99.858 11.501 -12.320 1.00 0.00 C ATOM 390 CG GLN A 24 99.338 12.778 -11.655 1.00 0.00 C ATOM 391 CD GLN A 24 97.817 12.851 -11.809 1.00 0.00 C ATOM 392 OE1 GLN A 24 97.284 12.521 -12.849 1.00 0.00 O ATOM 393 NE2 GLN A 24 97.091 13.274 -10.810 1.00 0.00 N ATOM 0 H GLN A 24 100.953 10.812 -10.277 1.00 0.00 H new ATOM 0 HA GLN A 24 98.258 10.330 -11.399 1.00 0.00 H new ATOM 0 HB2 GLN A 24 100.948 11.499 -12.324 1.00 0.00 H new ATOM 0 HB3 GLN A 24 99.535 11.463 -13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 24 99.608 12.787 -10.599 1.00 0.00 H new ATOM 0 HG3 GLN A 24 99.803 13.653 -12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 24 97.538 13.551 -9.936 1.00 0.00 H new ATOM 0 HE22 GLN A 24 96.077 13.327 -10.903 1.00 0.00 H new ATOM 402 N LEU A 25 100.847 8.684 -12.602 1.00 0.00 N ATOM 403 CA LEU A 25 101.170 7.451 -13.383 1.00 0.00 C ATOM 404 C LEU A 25 100.613 6.209 -12.679 1.00 0.00 C ATOM 405 O LEU A 25 100.040 5.337 -13.303 1.00 0.00 O ATOM 406 CB LEU A 25 102.700 7.394 -13.438 1.00 0.00 C ATOM 407 CG LEU A 25 103.157 7.148 -14.881 1.00 0.00 C ATOM 408 CD1 LEU A 25 104.685 7.074 -14.924 1.00 0.00 C ATOM 409 CD2 LEU A 25 102.565 5.830 -15.394 1.00 0.00 C ATOM 0 H LEU A 25 101.654 9.225 -12.292 1.00 0.00 H new ATOM 0 HA LEU A 25 100.729 7.475 -14.379 1.00 0.00 H new ATOM 0 HB2 LEU A 25 103.122 8.328 -13.067 1.00 0.00 H new ATOM 0 HB3 LEU A 25 103.067 6.599 -12.789 1.00 0.00 H new ATOM 0 HG LEU A 25 102.813 7.966 -15.514 1.00 0.00 H new ATOM 0 HD11 LEU A 25 105.012 6.899 -15.949 1.00 0.00 H new ATOM 0 HD12 LEU A 25 105.105 8.013 -14.564 1.00 0.00 H new ATOM 0 HD13 LEU A 25 105.028 6.257 -14.289 1.00 0.00 H new ATOM 0 HD21 LEU A 25 102.892 5.659 -16.420 1.00 0.00 H new ATOM 0 HD22 LEU A 25 102.905 5.009 -14.763 1.00 0.00 H new ATOM 0 HD23 LEU A 25 101.477 5.884 -15.365 1.00 0.00 H new ATOM 421 N LEU A 26 100.777 6.119 -11.385 1.00 0.00 N ATOM 422 CA LEU A 26 100.256 4.926 -10.649 1.00 0.00 C ATOM 423 C LEU A 26 98.750 4.775 -10.883 1.00 0.00 C ATOM 424 O LEU A 26 98.278 3.732 -11.288 1.00 0.00 O ATOM 425 CB LEU A 26 100.543 5.206 -9.172 1.00 0.00 C ATOM 426 CG LEU A 26 100.797 3.885 -8.434 1.00 0.00 C ATOM 427 CD1 LEU A 26 99.603 2.944 -8.622 1.00 0.00 C ATOM 428 CD2 LEU A 26 102.056 3.220 -8.996 1.00 0.00 C ATOM 0 H LEU A 26 101.247 6.816 -10.807 1.00 0.00 H new ATOM 0 HA LEU A 26 100.725 4.001 -10.985 1.00 0.00 H new ATOM 0 HB2 LEU A 26 101.411 5.859 -9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 26 99.700 5.729 -8.721 1.00 0.00 H new ATOM 0 HG LEU A 26 100.931 4.090 -7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 26 99.791 2.008 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 26 98.704 3.412 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 26 99.463 2.741 -9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 26 102.237 2.282 -8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 26 101.919 3.021 -10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 26 102.910 3.883 -8.858 1.00 0.00 H new ATOM 440 N GLU A 27 97.995 5.811 -10.634 1.00 0.00 N ATOM 441 CA GLU A 27 96.520 5.728 -10.844 1.00 0.00 C ATOM 442 C GLU A 27 96.188 5.787 -12.341 1.00 0.00 C ATOM 443 O GLU A 27 95.048 5.635 -12.736 1.00 0.00 O ATOM 444 CB GLU A 27 95.945 6.945 -10.119 1.00 0.00 C ATOM 445 CG GLU A 27 96.278 6.858 -8.628 1.00 0.00 C ATOM 446 CD GLU A 27 95.316 5.884 -7.942 1.00 0.00 C ATOM 447 OE1 GLU A 27 94.188 5.778 -8.395 1.00 0.00 O ATOM 448 OE2 GLU A 27 95.725 5.261 -6.976 1.00 0.00 O ATOM 0 H GLU A 27 98.335 6.711 -10.295 1.00 0.00 H new ATOM 0 HA GLU A 27 96.104 4.794 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 27 96.358 7.861 -10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 27 94.865 6.988 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 27 97.307 6.524 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 27 96.201 7.844 -8.170 1.00 0.00 H new ATOM 455 N ALA A 28 97.170 6.007 -13.177 1.00 0.00 N ATOM 456 CA ALA A 28 96.904 6.078 -14.644 1.00 0.00 C ATOM 457 C ALA A 28 96.888 4.673 -15.253 1.00 0.00 C ATOM 458 O ALA A 28 96.087 4.375 -16.117 1.00 0.00 O ATOM 459 CB ALA A 28 98.060 6.899 -15.218 1.00 0.00 C ATOM 0 H ALA A 28 98.144 6.140 -12.907 1.00 0.00 H new ATOM 0 HA ALA A 28 95.936 6.527 -14.864 1.00 0.00 H new ATOM 0 HB1 ALA A 28 97.937 6.997 -16.297 1.00 0.00 H new ATOM 0 HB2 ALA A 28 98.065 7.889 -14.762 1.00 0.00 H new ATOM 0 HB3 ALA A 28 99.004 6.397 -15.005 1.00 0.00 H new ATOM 465 N GLY A 29 97.765 3.808 -14.814 1.00 0.00 N ATOM 466 CA GLY A 29 97.795 2.433 -15.372 1.00 0.00 C ATOM 467 C GLY A 29 99.114 1.735 -15.019 1.00 0.00 C ATOM 468 O GLY A 29 99.208 0.524 -15.058 1.00 0.00 O ATOM 0 H GLY A 29 98.460 3.999 -14.093 1.00 0.00 H new ATOM 0 HA2 GLY A 29 96.957 1.857 -14.980 1.00 0.00 H new ATOM 0 HA3 GLY A 29 97.676 2.472 -16.455 1.00 0.00 H new ATOM 472 N ALA A 30 100.136 2.484 -14.683 1.00 0.00 N ATOM 473 CA ALA A 30 101.453 1.859 -14.336 1.00 0.00 C ATOM 474 C ALA A 30 101.268 0.697 -13.353 1.00 0.00 C ATOM 475 O ALA A 30 100.523 0.793 -12.397 1.00 0.00 O ATOM 476 CB ALA A 30 102.261 2.981 -13.682 1.00 0.00 C ATOM 0 H ALA A 30 100.116 3.503 -14.634 1.00 0.00 H new ATOM 0 HA ALA A 30 101.948 1.447 -15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 30 103.243 2.604 -13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 30 102.379 3.803 -14.388 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.738 3.337 -12.794 1.00 0.00 H new ATOM 482 N ASP A 31 101.945 -0.397 -13.582 1.00 0.00 N ATOM 483 CA ASP A 31 101.812 -1.564 -12.662 1.00 0.00 C ATOM 484 C ASP A 31 102.637 -1.332 -11.389 1.00 0.00 C ATOM 485 O ASP A 31 103.640 -0.647 -11.422 1.00 0.00 O ATOM 486 CB ASP A 31 102.353 -2.761 -13.449 1.00 0.00 C ATOM 487 CG ASP A 31 103.830 -2.575 -13.728 1.00 0.00 C ATOM 488 OD1 ASP A 31 104.160 -1.645 -14.446 1.00 0.00 O ATOM 489 OD2 ASP A 31 104.605 -3.371 -13.227 1.00 0.00 O ATOM 0 H ASP A 31 102.584 -0.533 -14.366 1.00 0.00 H new ATOM 0 HA ASP A 31 100.781 -1.724 -12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 31 102.194 -3.679 -12.884 1.00 0.00 H new ATOM 0 HB3 ASP A 31 101.808 -2.866 -14.387 1.00 0.00 H new ATOM 494 N PRO A 32 102.184 -1.909 -10.306 1.00 0.00 N ATOM 495 CA PRO A 32 102.892 -1.757 -9.014 1.00 0.00 C ATOM 496 C PRO A 32 104.087 -2.716 -8.924 1.00 0.00 C ATOM 497 O PRO A 32 104.738 -2.803 -7.900 1.00 0.00 O ATOM 498 CB PRO A 32 101.833 -2.131 -7.984 1.00 0.00 C ATOM 499 CG PRO A 32 100.874 -3.032 -8.703 1.00 0.00 C ATOM 500 CD PRO A 32 100.983 -2.743 -10.181 1.00 0.00 C ATOM 0 HA PRO A 32 103.298 -0.755 -8.872 1.00 0.00 H new ATOM 0 HB2 PRO A 32 102.280 -2.637 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 32 101.327 -1.244 -7.602 1.00 0.00 H new ATOM 0 HG2 PRO A 32 101.108 -4.077 -8.501 1.00 0.00 H new ATOM 0 HG3 PRO A 32 99.855 -2.860 -8.355 1.00 0.00 H new ATOM 0 HD2 PRO A 32 101.077 -3.662 -10.759 1.00 0.00 H new ATOM 0 HD3 PRO A 32 100.099 -2.223 -10.550 1.00 0.00 H new ATOM 508 N ASN A 33 104.378 -3.444 -9.973 1.00 0.00 N ATOM 509 CA ASN A 33 105.526 -4.396 -9.916 1.00 0.00 C ATOM 510 C ASN A 33 106.364 -4.321 -11.199 1.00 0.00 C ATOM 511 O ASN A 33 106.776 -5.329 -11.740 1.00 0.00 O ATOM 512 CB ASN A 33 104.882 -5.775 -9.772 1.00 0.00 C ATOM 513 CG ASN A 33 104.552 -6.030 -8.300 1.00 0.00 C ATOM 514 OD1 ASN A 33 103.443 -6.399 -7.969 1.00 0.00 O ATOM 515 ND2 ASN A 33 105.476 -5.849 -7.396 1.00 0.00 N ATOM 0 H ASN A 33 103.874 -3.420 -10.859 1.00 0.00 H new ATOM 0 HA ASN A 33 106.205 -4.169 -9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 33 103.975 -5.830 -10.374 1.00 0.00 H new ATOM 0 HB3 ASN A 33 105.558 -6.545 -10.143 1.00 0.00 H new ATOM 0 HD21 ASN A 33 105.267 -6.017 -6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 33 106.407 -5.539 -7.674 1.00 0.00 H new ATOM 522 N ALA A 34 106.628 -3.136 -11.682 1.00 0.00 N ATOM 523 CA ALA A 34 107.448 -2.998 -12.924 1.00 0.00 C ATOM 524 C ALA A 34 108.821 -2.411 -12.576 1.00 0.00 C ATOM 525 O ALA A 34 108.949 -1.232 -12.313 1.00 0.00 O ATOM 526 CB ALA A 34 106.664 -2.034 -13.820 1.00 0.00 C ATOM 0 H ALA A 34 106.312 -2.257 -11.271 1.00 0.00 H new ATOM 0 HA ALA A 34 107.620 -3.955 -13.416 1.00 0.00 H new ATOM 0 HB1 ALA A 34 107.206 -1.883 -14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.681 -2.454 -14.034 1.00 0.00 H new ATOM 0 HB3 ALA A 34 106.546 -1.078 -13.310 1.00 0.00 H new ATOM 532 N LEU A 35 109.847 -3.222 -12.569 1.00 0.00 N ATOM 533 CA LEU A 35 111.205 -2.701 -12.231 1.00 0.00 C ATOM 534 C LEU A 35 111.759 -1.869 -13.394 1.00 0.00 C ATOM 535 O LEU A 35 111.613 -2.225 -14.547 1.00 0.00 O ATOM 536 CB LEU A 35 112.069 -3.945 -11.987 1.00 0.00 C ATOM 537 CG LEU A 35 112.275 -4.710 -13.299 1.00 0.00 C ATOM 538 CD1 LEU A 35 113.568 -4.238 -13.969 1.00 0.00 C ATOM 539 CD2 LEU A 35 112.376 -6.208 -13.003 1.00 0.00 C ATOM 0 H LEU A 35 109.804 -4.219 -12.782 1.00 0.00 H new ATOM 0 HA LEU A 35 111.189 -2.048 -11.358 1.00 0.00 H new ATOM 0 HB2 LEU A 35 113.034 -3.652 -11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 35 111.590 -4.591 -11.252 1.00 0.00 H new ATOM 0 HG LEU A 35 111.432 -4.524 -13.964 1.00 0.00 H new ATOM 0 HD11 LEU A 35 113.714 -4.782 -14.902 1.00 0.00 H new ATOM 0 HD12 LEU A 35 113.501 -3.170 -14.178 1.00 0.00 H new ATOM 0 HD13 LEU A 35 114.411 -4.425 -13.304 1.00 0.00 H new ATOM 0 HD21 LEU A 35 112.523 -6.754 -13.935 1.00 0.00 H new ATOM 0 HD22 LEU A 35 113.220 -6.391 -12.338 1.00 0.00 H new ATOM 0 HD23 LEU A 35 111.457 -6.547 -12.524 1.00 0.00 H new ATOM 551 N ASN A 36 112.390 -0.764 -13.098 1.00 0.00 N ATOM 552 CA ASN A 36 112.951 0.090 -14.186 1.00 0.00 C ATOM 553 C ASN A 36 114.480 -0.012 -14.213 1.00 0.00 C ATOM 554 O ASN A 36 115.180 0.824 -13.675 1.00 0.00 O ATOM 555 CB ASN A 36 112.508 1.517 -13.851 1.00 0.00 C ATOM 556 CG ASN A 36 113.020 1.911 -12.464 1.00 0.00 C ATOM 557 OD1 ASN A 36 112.693 1.277 -11.480 1.00 0.00 O ATOM 558 ND2 ASN A 36 113.817 2.935 -12.344 1.00 0.00 N ATOM 0 H ASN A 36 112.541 -0.416 -12.151 1.00 0.00 H new ATOM 0 HA ASN A 36 112.599 -0.220 -15.170 1.00 0.00 H new ATOM 0 HB2 ASN A 36 112.891 2.211 -14.600 1.00 0.00 H new ATOM 0 HB3 ASN A 36 111.421 1.585 -13.879 1.00 0.00 H new ATOM 0 HD21 ASN A 36 114.166 3.204 -11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 36 114.092 3.467 -13.170 1.00 0.00 H new ATOM 565 N ARG A 37 115.002 -1.032 -14.843 1.00 0.00 N ATOM 566 CA ARG A 37 116.485 -1.199 -14.919 1.00 0.00 C ATOM 567 C ARG A 37 117.115 -1.120 -13.525 1.00 0.00 C ATOM 568 O ARG A 37 116.430 -1.106 -12.522 1.00 0.00 O ATOM 569 CB ARG A 37 116.973 -0.042 -15.793 1.00 0.00 C ATOM 570 CG ARG A 37 116.454 -0.227 -17.221 1.00 0.00 C ATOM 571 CD ARG A 37 117.579 -0.758 -18.113 1.00 0.00 C ATOM 572 NE ARG A 37 116.912 -1.128 -19.392 1.00 0.00 N ATOM 573 CZ ARG A 37 117.556 -1.011 -20.521 1.00 0.00 C ATOM 574 NH1 ARG A 37 118.202 0.089 -20.792 1.00 0.00 N ATOM 575 NH2 ARG A 37 117.554 -1.996 -21.378 1.00 0.00 N ATOM 0 H ARG A 37 114.463 -1.760 -15.311 1.00 0.00 H new ATOM 0 HA ARG A 37 116.762 -2.170 -15.330 1.00 0.00 H new ATOM 0 HB2 ARG A 37 116.623 0.907 -15.387 1.00 0.00 H new ATOM 0 HB3 ARG A 37 118.062 -0.006 -15.792 1.00 0.00 H new ATOM 0 HG2 ARG A 37 115.614 -0.922 -17.226 1.00 0.00 H new ATOM 0 HG3 ARG A 37 116.085 0.722 -17.610 1.00 0.00 H new ATOM 0 HD2 ARG A 37 118.347 -0.001 -18.273 1.00 0.00 H new ATOM 0 HD3 ARG A 37 118.069 -1.619 -17.660 1.00 0.00 H new ATOM 0 HE ARG A 37 115.952 -1.473 -19.386 1.00 0.00 H new ATOM 0 HH11 ARG A 37 118.204 0.858 -20.122 1.00 0.00 H new ATOM 0 HH12 ARG A 37 118.705 0.181 -21.674 1.00 0.00 H new ATOM 0 HH21 ARG A 37 117.049 -2.856 -21.165 1.00 0.00 H new ATOM 0 HH22 ARG A 37 118.057 -1.905 -22.261 1.00 0.00 H new ATOM 589 N PHE A 38 118.422 -1.079 -13.463 1.00 0.00 N ATOM 590 CA PHE A 38 119.126 -1.009 -12.146 1.00 0.00 C ATOM 591 C PHE A 38 118.704 -2.172 -11.236 1.00 0.00 C ATOM 592 O PHE A 38 118.981 -2.167 -10.053 1.00 0.00 O ATOM 593 CB PHE A 38 118.712 0.332 -11.533 1.00 0.00 C ATOM 594 CG PHE A 38 119.385 1.458 -12.282 1.00 0.00 C ATOM 595 CD1 PHE A 38 120.663 1.885 -11.904 1.00 0.00 C ATOM 596 CD2 PHE A 38 118.730 2.074 -13.356 1.00 0.00 C ATOM 597 CE1 PHE A 38 121.286 2.928 -12.599 1.00 0.00 C ATOM 598 CE2 PHE A 38 119.354 3.117 -14.051 1.00 0.00 C ATOM 599 CZ PHE A 38 120.632 3.544 -13.673 1.00 0.00 C ATOM 0 H PHE A 38 119.037 -1.091 -14.276 1.00 0.00 H new ATOM 0 HA PHE A 38 120.207 -1.085 -12.265 1.00 0.00 H new ATOM 0 HB2 PHE A 38 117.629 0.446 -11.580 1.00 0.00 H new ATOM 0 HB3 PHE A 38 118.991 0.364 -10.480 1.00 0.00 H new ATOM 0 HD1 PHE A 38 121.168 1.410 -11.076 1.00 0.00 H new ATOM 0 HD2 PHE A 38 117.744 1.744 -13.648 1.00 0.00 H new ATOM 0 HE1 PHE A 38 122.272 3.258 -12.307 1.00 0.00 H new ATOM 0 HE2 PHE A 38 118.849 3.592 -14.879 1.00 0.00 H new ATOM 0 HZ PHE A 38 121.114 4.348 -14.209 1.00 0.00 H new ATOM 609 N GLY A 39 118.044 -3.172 -11.780 1.00 0.00 N ATOM 610 CA GLY A 39 117.604 -4.343 -10.958 1.00 0.00 C ATOM 611 C GLY A 39 117.132 -3.882 -9.575 1.00 0.00 C ATOM 612 O GLY A 39 117.337 -4.555 -8.584 1.00 0.00 O ATOM 0 H GLY A 39 117.791 -3.224 -12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 39 116.797 -4.869 -11.467 1.00 0.00 H new ATOM 0 HA3 GLY A 39 118.427 -5.049 -10.851 1.00 0.00 H new ATOM 616 N ARG A 40 116.511 -2.735 -9.503 1.00 0.00 N ATOM 617 CA ARG A 40 116.035 -2.226 -8.185 1.00 0.00 C ATOM 618 C ARG A 40 114.511 -2.336 -8.087 1.00 0.00 C ATOM 619 O ARG A 40 113.874 -3.024 -8.860 1.00 0.00 O ATOM 620 CB ARG A 40 116.469 -0.758 -8.147 1.00 0.00 C ATOM 621 CG ARG A 40 117.507 -0.557 -7.041 1.00 0.00 C ATOM 622 CD ARG A 40 117.596 0.930 -6.687 1.00 0.00 C ATOM 623 NE ARG A 40 118.793 1.428 -7.422 1.00 0.00 N ATOM 624 CZ ARG A 40 119.990 1.167 -6.971 1.00 0.00 C ATOM 625 NH1 ARG A 40 120.272 1.373 -5.714 1.00 0.00 N ATOM 626 NH2 ARG A 40 120.903 0.700 -7.778 1.00 0.00 N ATOM 0 H ARG A 40 116.313 -2.129 -10.299 1.00 0.00 H new ATOM 0 HA ARG A 40 116.446 -2.797 -7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 40 116.888 -0.467 -9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 40 115.605 -0.118 -7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 40 117.231 -1.136 -6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 40 118.480 -0.922 -7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 40 116.695 1.463 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 40 117.704 1.074 -5.612 1.00 0.00 H new ATOM 0 HE ARG A 40 118.677 1.972 -8.277 1.00 0.00 H new ATOM 0 HH11 ARG A 40 119.557 1.738 -5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 40 121.207 1.169 -5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 40 120.681 0.539 -8.761 1.00 0.00 H new ATOM 0 HH22 ARG A 40 121.838 0.496 -7.426 1.00 0.00 H new ATOM 640 N ARG A 41 113.930 -1.658 -7.137 1.00 0.00 N ATOM 641 CA ARG A 41 112.446 -1.707 -6.968 1.00 0.00 C ATOM 642 C ARG A 41 111.870 -0.306 -7.202 1.00 0.00 C ATOM 643 O ARG A 41 112.614 0.631 -7.414 1.00 0.00 O ATOM 644 CB ARG A 41 112.215 -2.148 -5.513 1.00 0.00 C ATOM 645 CG ARG A 41 113.154 -3.304 -5.145 1.00 0.00 C ATOM 646 CD ARG A 41 112.642 -4.605 -5.770 1.00 0.00 C ATOM 647 NE ARG A 41 113.479 -4.806 -6.987 1.00 0.00 N ATOM 648 CZ ARG A 41 114.581 -5.502 -6.917 1.00 0.00 C ATOM 649 NH1 ARG A 41 115.398 -5.338 -5.912 1.00 0.00 N ATOM 650 NH2 ARG A 41 114.867 -6.363 -7.854 1.00 0.00 N ATOM 0 H ARG A 41 114.420 -1.068 -6.465 1.00 0.00 H new ATOM 0 HA ARG A 41 111.964 -2.388 -7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 41 112.384 -1.307 -4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 41 111.178 -2.458 -5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 41 114.163 -3.092 -5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 41 113.211 -3.408 -4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 41 112.744 -5.441 -5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 41 111.585 -4.530 -6.026 1.00 0.00 H new ATOM 0 HE ARG A 41 113.190 -4.399 -7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 41 115.176 -4.665 -5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 41 116.258 -5.883 -5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 41 114.230 -6.492 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 41 115.728 -6.908 -7.801 1.00 0.00 H new ATOM 664 N PRO A 42 110.565 -0.193 -7.157 1.00 0.00 N ATOM 665 CA PRO A 42 109.924 1.127 -7.368 1.00 0.00 C ATOM 666 C PRO A 42 110.162 2.032 -6.152 1.00 0.00 C ATOM 667 O PRO A 42 110.062 3.240 -6.239 1.00 0.00 O ATOM 668 CB PRO A 42 108.445 0.791 -7.537 1.00 0.00 C ATOM 669 CG PRO A 42 108.261 -0.518 -6.837 1.00 0.00 C ATOM 670 CD PRO A 42 109.576 -1.253 -6.910 1.00 0.00 C ATOM 0 HA PRO A 42 110.321 1.669 -8.226 1.00 0.00 H new ATOM 0 HB2 PRO A 42 107.813 1.564 -7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 42 108.175 0.716 -8.590 1.00 0.00 H new ATOM 0 HG2 PRO A 42 107.965 -0.361 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 42 107.469 -1.099 -7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 42 109.787 -1.787 -5.983 1.00 0.00 H new ATOM 0 HD3 PRO A 42 109.576 -1.993 -7.711 1.00 0.00 H new ATOM 678 N ILE A 43 110.491 1.457 -5.023 1.00 0.00 N ATOM 679 CA ILE A 43 110.754 2.286 -3.809 1.00 0.00 C ATOM 680 C ILE A 43 112.263 2.360 -3.556 1.00 0.00 C ATOM 681 O ILE A 43 112.760 3.308 -2.984 1.00 0.00 O ATOM 682 CB ILE A 43 110.045 1.563 -2.658 1.00 0.00 C ATOM 683 CG1 ILE A 43 108.530 1.743 -2.807 1.00 0.00 C ATOM 684 CG2 ILE A 43 110.503 2.157 -1.318 1.00 0.00 C ATOM 685 CD1 ILE A 43 107.812 1.108 -1.611 1.00 0.00 C ATOM 0 H ILE A 43 110.589 0.450 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 43 110.392 3.308 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 43 110.292 0.502 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 43 108.285 2.803 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 43 108.189 1.282 -3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 43 109.998 1.642 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 43 111.581 2.033 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 43 110.255 3.218 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 43 106.736 1.239 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 43 108.046 0.044 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 43 108.143 1.589 -0.691 1.00 0.00 H new ATOM 697 N GLN A 44 112.995 1.366 -3.977 1.00 0.00 N ATOM 698 CA GLN A 44 114.471 1.379 -3.761 1.00 0.00 C ATOM 699 C GLN A 44 115.147 2.366 -4.722 1.00 0.00 C ATOM 700 O GLN A 44 116.341 2.583 -4.658 1.00 0.00 O ATOM 701 CB GLN A 44 114.926 -0.051 -4.052 1.00 0.00 C ATOM 702 CG GLN A 44 114.991 -0.843 -2.745 1.00 0.00 C ATOM 703 CD GLN A 44 116.119 -1.873 -2.829 1.00 0.00 C ATOM 704 OE1 GLN A 44 117.280 -1.518 -2.866 1.00 0.00 O ATOM 705 NE2 GLN A 44 115.824 -3.144 -2.860 1.00 0.00 N ATOM 0 H GLN A 44 112.635 0.544 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 44 114.735 1.695 -2.752 1.00 0.00 H new ATOM 0 HB2 GLN A 44 114.235 -0.530 -4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 44 115.904 -0.042 -4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 44 115.162 -0.168 -1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 44 114.040 -1.343 -2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 44 114.849 -3.442 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 44 116.568 -3.839 -2.915 1.00 0.00 H new ATOM 714 N VAL A 45 114.398 2.965 -5.613 1.00 0.00 N ATOM 715 CA VAL A 45 115.009 3.932 -6.571 1.00 0.00 C ATOM 716 C VAL A 45 114.467 5.346 -6.335 1.00 0.00 C ATOM 717 O VAL A 45 115.050 6.319 -6.771 1.00 0.00 O ATOM 718 CB VAL A 45 114.616 3.421 -7.959 1.00 0.00 C ATOM 719 CG1 VAL A 45 113.098 3.527 -8.146 1.00 0.00 C ATOM 720 CG2 VAL A 45 115.320 4.263 -9.025 1.00 0.00 C ATOM 0 H VAL A 45 113.393 2.826 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 45 116.091 3.995 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 45 114.915 2.377 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 45 112.827 3.161 -9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 45 112.595 2.927 -7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 45 112.791 4.568 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 45 115.043 3.902 -10.015 1.00 0.00 H new ATOM 0 HG22 VAL A 45 115.020 5.306 -8.922 1.00 0.00 H new ATOM 0 HG23 VAL A 45 116.400 4.182 -8.898 1.00 0.00 H new ATOM 730 N MET A 46 113.358 5.473 -5.653 1.00 0.00 N ATOM 731 CA MET A 46 112.798 6.832 -5.406 1.00 0.00 C ATOM 732 C MET A 46 113.761 7.644 -4.536 1.00 0.00 C ATOM 733 O MET A 46 114.662 7.105 -3.923 1.00 0.00 O ATOM 734 CB MET A 46 111.458 6.609 -4.692 1.00 0.00 C ATOM 735 CG MET A 46 111.680 5.990 -3.306 1.00 0.00 C ATOM 736 SD MET A 46 110.631 6.833 -2.090 1.00 0.00 S ATOM 737 CE MET A 46 110.825 5.636 -0.745 1.00 0.00 C ATOM 0 H MET A 46 112.821 4.700 -5.260 1.00 0.00 H new ATOM 0 HA MET A 46 112.658 7.393 -6.330 1.00 0.00 H new ATOM 0 HB2 MET A 46 110.931 7.558 -4.592 1.00 0.00 H new ATOM 0 HB3 MET A 46 110.825 5.954 -5.291 1.00 0.00 H new ATOM 0 HG2 MET A 46 111.444 4.926 -3.329 1.00 0.00 H new ATOM 0 HG3 MET A 46 112.728 6.078 -3.021 1.00 0.00 H new ATOM 0 HE1 MET A 46 109.887 5.102 -0.595 1.00 0.00 H new ATOM 0 HE2 MET A 46 111.610 4.925 -1.001 1.00 0.00 H new ATOM 0 HE3 MET A 46 111.095 6.160 0.172 1.00 0.00 H new ATOM 747 N MET A 47 113.576 8.935 -4.477 1.00 0.00 N ATOM 748 CA MET A 47 114.481 9.787 -3.645 1.00 0.00 C ATOM 749 C MET A 47 114.505 9.290 -2.195 1.00 0.00 C ATOM 750 O MET A 47 115.386 9.632 -1.431 1.00 0.00 O ATOM 751 CB MET A 47 113.886 11.195 -3.722 1.00 0.00 C ATOM 752 CG MET A 47 112.426 11.167 -3.254 1.00 0.00 C ATOM 753 SD MET A 47 112.109 12.569 -2.149 1.00 0.00 S ATOM 754 CE MET A 47 112.741 13.873 -3.234 1.00 0.00 C ATOM 0 H MET A 47 112.838 9.439 -4.968 1.00 0.00 H new ATOM 0 HA MET A 47 115.510 9.759 -4.002 1.00 0.00 H new ATOM 0 HB2 MET A 47 114.464 11.879 -3.100 1.00 0.00 H new ATOM 0 HB3 MET A 47 113.943 11.569 -4.744 1.00 0.00 H new ATOM 0 HG2 MET A 47 111.758 11.212 -4.114 1.00 0.00 H new ATOM 0 HG3 MET A 47 112.218 10.230 -2.737 1.00 0.00 H new ATOM 0 HE1 MET A 47 113.609 14.343 -2.771 1.00 0.00 H new ATOM 0 HE2 MET A 47 113.031 13.441 -4.192 1.00 0.00 H new ATOM 0 HE3 MET A 47 111.965 14.622 -3.394 1.00 0.00 H new ATOM 764 N MET A 48 113.544 8.485 -1.810 1.00 0.00 N ATOM 765 CA MET A 48 113.509 7.964 -0.411 1.00 0.00 C ATOM 766 C MET A 48 113.442 9.128 0.583 1.00 0.00 C ATOM 767 O MET A 48 113.825 9.006 1.730 1.00 0.00 O ATOM 768 CB MET A 48 114.810 7.164 -0.253 1.00 0.00 C ATOM 769 CG MET A 48 114.764 6.331 1.032 1.00 0.00 C ATOM 770 SD MET A 48 113.426 5.110 0.938 1.00 0.00 S ATOM 771 CE MET A 48 114.031 4.194 -0.500 1.00 0.00 C ATOM 0 H MET A 48 112.781 8.167 -2.408 1.00 0.00 H new ATOM 0 HA MET A 48 112.635 7.343 -0.215 1.00 0.00 H new ATOM 0 HB2 MET A 48 114.951 6.511 -1.114 1.00 0.00 H new ATOM 0 HB3 MET A 48 115.662 7.843 -0.225 1.00 0.00 H new ATOM 0 HG2 MET A 48 115.718 5.825 1.181 1.00 0.00 H new ATOM 0 HG3 MET A 48 114.611 6.983 1.892 1.00 0.00 H new ATOM 0 HE1 MET A 48 113.654 3.172 -0.465 1.00 0.00 H new ATOM 0 HE2 MET A 48 113.683 4.678 -1.413 1.00 0.00 H new ATOM 0 HE3 MET A 48 115.121 4.179 -0.490 1.00 0.00 H new ATOM 781 N GLY A 49 112.941 10.252 0.148 1.00 0.00 N ATOM 782 CA GLY A 49 112.826 11.429 1.056 1.00 0.00 C ATOM 783 C GLY A 49 111.391 11.962 1.007 1.00 0.00 C ATOM 784 O GLY A 49 111.128 13.099 1.351 1.00 0.00 O ATOM 0 H GLY A 49 112.605 10.406 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.087 11.144 2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.527 12.207 0.753 1.00 0.00 H new ATOM 788 N SER A 50 110.459 11.147 0.582 1.00 0.00 N ATOM 789 CA SER A 50 109.041 11.599 0.505 1.00 0.00 C ATOM 790 C SER A 50 108.100 10.416 0.742 1.00 0.00 C ATOM 791 O SER A 50 107.793 9.664 -0.163 1.00 0.00 O ATOM 792 CB SER A 50 108.876 12.138 -0.914 1.00 0.00 C ATOM 793 OG SER A 50 109.273 13.502 -0.947 1.00 0.00 O ATOM 0 H SER A 50 110.622 10.185 0.285 1.00 0.00 H new ATOM 0 HA SER A 50 108.803 12.352 1.257 1.00 0.00 H new ATOM 0 HB2 SER A 50 109.480 11.555 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 50 107.838 12.041 -1.234 1.00 0.00 H new ATOM 0 HG SER A 50 110.185 13.569 -1.299 1.00 0.00 H new ATOM 799 N ALA A 51 107.637 10.245 1.954 1.00 0.00 N ATOM 800 CA ALA A 51 106.714 9.108 2.254 1.00 0.00 C ATOM 801 C ALA A 51 105.535 9.109 1.277 1.00 0.00 C ATOM 802 O ALA A 51 104.952 8.081 0.992 1.00 0.00 O ATOM 803 CB ALA A 51 106.229 9.355 3.681 1.00 0.00 C ATOM 0 H ALA A 51 107.858 10.844 2.750 1.00 0.00 H new ATOM 0 HA ALA A 51 107.207 8.141 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 51 105.544 8.560 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 51 107.083 9.368 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 51 105.713 10.314 3.729 1.00 0.00 H new ATOM 809 N GLN A 52 105.188 10.255 0.753 1.00 0.00 N ATOM 810 CA GLN A 52 104.054 10.327 -0.217 1.00 0.00 C ATOM 811 C GLN A 52 104.273 9.328 -1.355 1.00 0.00 C ATOM 812 O GLN A 52 103.340 8.744 -1.873 1.00 0.00 O ATOM 813 CB GLN A 52 104.082 11.752 -0.751 1.00 0.00 C ATOM 814 CG GLN A 52 103.134 12.627 0.066 1.00 0.00 C ATOM 815 CD GLN A 52 103.287 14.088 -0.361 1.00 0.00 C ATOM 816 OE1 GLN A 52 102.317 14.739 -0.699 1.00 0.00 O ATOM 817 NE2 GLN A 52 104.470 14.637 -0.356 1.00 0.00 N ATOM 0 H GLN A 52 105.641 11.146 0.955 1.00 0.00 H new ATOM 0 HA GLN A 52 103.098 10.083 0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 52 105.095 12.150 -0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 52 103.789 11.763 -1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 52 102.104 12.301 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 52 103.353 12.524 1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 52 105.284 14.092 -0.073 1.00 0.00 H new ATOM 0 HE22 GLN A 52 104.581 15.612 -0.635 1.00 0.00 H new ATOM 826 N VAL A 53 105.502 9.128 -1.741 1.00 0.00 N ATOM 827 CA VAL A 53 105.799 8.170 -2.842 1.00 0.00 C ATOM 828 C VAL A 53 105.889 6.742 -2.292 1.00 0.00 C ATOM 829 O VAL A 53 105.448 5.797 -2.917 1.00 0.00 O ATOM 830 CB VAL A 53 107.153 8.621 -3.395 1.00 0.00 C ATOM 831 CG1 VAL A 53 107.569 7.707 -4.549 1.00 0.00 C ATOM 832 CG2 VAL A 53 107.043 10.063 -3.902 1.00 0.00 C ATOM 0 H VAL A 53 106.318 9.590 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 53 105.025 8.163 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 53 107.901 8.568 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 53 108.533 8.031 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 53 107.649 6.681 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 53 106.821 7.757 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.007 10.385 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.293 10.115 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 53 106.751 10.716 -3.080 1.00 0.00 H new ATOM 842 N ALA A 54 106.458 6.582 -1.127 1.00 0.00 N ATOM 843 CA ALA A 54 106.584 5.218 -0.533 1.00 0.00 C ATOM 844 C ALA A 54 105.205 4.669 -0.148 1.00 0.00 C ATOM 845 O ALA A 54 104.960 3.480 -0.217 1.00 0.00 O ATOM 846 CB ALA A 54 107.455 5.403 0.712 1.00 0.00 C ATOM 0 H ALA A 54 106.842 7.338 -0.560 1.00 0.00 H new ATOM 0 HA ALA A 54 107.020 4.507 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 54 107.594 4.441 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 54 108.426 5.805 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 54 106.967 6.095 1.398 1.00 0.00 H new ATOM 852 N GLU A 55 104.304 5.522 0.260 1.00 0.00 N ATOM 853 CA GLU A 55 102.945 5.046 0.654 1.00 0.00 C ATOM 854 C GLU A 55 102.103 4.726 -0.587 1.00 0.00 C ATOM 855 O GLU A 55 101.366 3.761 -0.615 1.00 0.00 O ATOM 856 CB GLU A 55 102.329 6.210 1.431 1.00 0.00 C ATOM 857 CG GLU A 55 100.954 5.801 1.962 1.00 0.00 C ATOM 858 CD GLU A 55 100.659 6.560 3.258 1.00 0.00 C ATOM 859 OE1 GLU A 55 101.340 6.307 4.238 1.00 0.00 O ATOM 860 OE2 GLU A 55 99.758 7.382 3.246 1.00 0.00 O ATOM 0 H GLU A 55 104.450 6.529 0.338 1.00 0.00 H new ATOM 0 HA GLU A 55 102.989 4.132 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 55 102.980 6.493 2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 55 102.236 7.083 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 55 100.187 6.018 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 55 100.928 4.727 2.144 1.00 0.00 H new ATOM 867 N LEU A 56 102.202 5.534 -1.609 1.00 0.00 N ATOM 868 CA LEU A 56 101.404 5.286 -2.848 1.00 0.00 C ATOM 869 C LEU A 56 101.682 3.883 -3.401 1.00 0.00 C ATOM 870 O LEU A 56 100.801 3.049 -3.480 1.00 0.00 O ATOM 871 CB LEU A 56 101.872 6.359 -3.837 1.00 0.00 C ATOM 872 CG LEU A 56 101.243 6.115 -5.212 1.00 0.00 C ATOM 873 CD1 LEU A 56 99.736 6.366 -5.139 1.00 0.00 C ATOM 874 CD2 LEU A 56 101.871 7.067 -6.232 1.00 0.00 C ATOM 0 H LEU A 56 102.803 6.358 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 56 100.331 5.337 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 56 101.595 7.348 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 56 102.959 6.342 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 56 101.422 5.084 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 56 99.290 6.192 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 56 99.289 5.689 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 56 99.553 7.397 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 56 101.425 6.896 -7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 56 101.691 8.098 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 56 102.945 6.887 -6.285 1.00 0.00 H new ATOM 886 N LEU A 57 102.897 3.623 -3.796 1.00 0.00 N ATOM 887 CA LEU A 57 103.228 2.280 -4.360 1.00 0.00 C ATOM 888 C LEU A 57 102.947 1.175 -3.337 1.00 0.00 C ATOM 889 O LEU A 57 102.628 0.058 -3.695 1.00 0.00 O ATOM 890 CB LEU A 57 104.720 2.346 -4.685 1.00 0.00 C ATOM 891 CG LEU A 57 104.967 3.436 -5.730 1.00 0.00 C ATOM 892 CD1 LEU A 57 106.308 4.117 -5.451 1.00 0.00 C ATOM 893 CD2 LEU A 57 104.995 2.806 -7.123 1.00 0.00 C ATOM 0 H LEU A 57 103.676 4.280 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 57 102.626 2.047 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 57 105.291 2.558 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 57 105.064 1.382 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 57 104.168 4.176 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 57 106.484 4.893 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 57 106.289 4.565 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 57 107.108 3.379 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 57 105.171 3.581 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 57 105.795 2.067 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 57 104.040 2.321 -7.322 1.00 0.00 H new ATOM 905 N LEU A 58 103.073 1.468 -2.070 1.00 0.00 N ATOM 906 CA LEU A 58 102.823 0.420 -1.033 1.00 0.00 C ATOM 907 C LEU A 58 101.387 -0.109 -1.122 1.00 0.00 C ATOM 908 O LEU A 58 101.163 -1.256 -1.456 1.00 0.00 O ATOM 909 CB LEU A 58 103.048 1.117 0.309 1.00 0.00 C ATOM 910 CG LEU A 58 102.908 0.093 1.440 1.00 0.00 C ATOM 911 CD1 LEU A 58 104.297 -0.384 1.878 1.00 0.00 C ATOM 912 CD2 LEU A 58 102.182 0.738 2.626 1.00 0.00 C ATOM 0 H LEU A 58 103.337 2.384 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 58 103.481 -0.438 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 58 104.038 1.571 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.325 1.922 0.440 1.00 0.00 H new ATOM 0 HG LEU A 58 102.332 -0.762 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.195 -1.112 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 58 104.806 -0.847 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.879 0.467 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 58 102.082 0.010 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.755 1.595 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.192 1.068 2.311 1.00 0.00 H new ATOM 924 N LEU A 59 100.414 0.710 -0.810 1.00 0.00 N ATOM 925 CA LEU A 59 98.995 0.242 -0.863 1.00 0.00 C ATOM 926 C LEU A 59 98.686 -0.400 -2.222 1.00 0.00 C ATOM 927 O LEU A 59 97.803 -1.227 -2.339 1.00 0.00 O ATOM 928 CB LEU A 59 98.145 1.499 -0.640 1.00 0.00 C ATOM 929 CG LEU A 59 98.237 2.420 -1.862 1.00 0.00 C ATOM 930 CD1 LEU A 59 96.986 2.249 -2.726 1.00 0.00 C ATOM 931 CD2 LEU A 59 98.339 3.875 -1.398 1.00 0.00 C ATOM 0 H LEU A 59 100.540 1.680 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 59 98.789 -0.520 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 59 97.107 1.219 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 59 98.489 2.027 0.250 1.00 0.00 H new ATOM 0 HG LEU A 59 99.120 2.161 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 59 97.052 2.904 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 59 96.911 1.213 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 59 96.103 2.508 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 59 98.404 4.530 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 59 97.456 4.134 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 59 99.230 3.999 -0.782 1.00 0.00 H new ATOM 943 N HIS A 60 99.408 -0.028 -3.246 1.00 0.00 N ATOM 944 CA HIS A 60 99.154 -0.623 -4.591 1.00 0.00 C ATOM 945 C HIS A 60 99.828 -1.994 -4.698 1.00 0.00 C ATOM 946 O HIS A 60 99.169 -3.013 -4.784 1.00 0.00 O ATOM 947 CB HIS A 60 99.769 0.362 -5.584 1.00 0.00 C ATOM 948 CG HIS A 60 98.765 1.434 -5.906 1.00 0.00 C ATOM 949 ND1 HIS A 60 98.886 2.729 -5.428 1.00 0.00 N ATOM 950 CD2 HIS A 60 97.613 1.415 -6.654 1.00 0.00 C ATOM 951 CE1 HIS A 60 97.833 3.430 -5.888 1.00 0.00 C ATOM 952 NE2 HIS A 60 97.026 2.677 -6.641 1.00 0.00 N ATOM 0 H HIS A 60 100.160 0.660 -3.210 1.00 0.00 H new ATOM 0 HA HIS A 60 98.092 -0.778 -4.781 1.00 0.00 H new ATOM 0 HB2 HIS A 60 100.670 0.807 -5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 60 100.066 -0.159 -6.494 1.00 0.00 H new ATOM 0 HD1 HIS A 60 99.636 3.086 -4.836 1.00 0.00 H new ATOM 0 HD2 HIS A 60 97.222 0.552 -7.173 1.00 0.00 H new ATOM 0 HE1 HIS A 60 97.661 4.475 -5.674 1.00 0.00 H new ATOM 960 N GLY A 61 101.133 -2.030 -4.696 1.00 0.00 N ATOM 961 CA GLY A 61 101.844 -3.326 -4.797 1.00 0.00 C ATOM 962 C GLY A 61 103.349 -3.082 -4.935 1.00 0.00 C ATOM 963 O GLY A 61 104.026 -3.742 -5.699 1.00 0.00 O ATOM 0 H GLY A 61 101.736 -1.210 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.644 -3.931 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 61 101.477 -3.887 -5.657 1.00 0.00 H new ATOM 967 N ALA A 62 103.878 -2.140 -4.199 1.00 0.00 N ATOM 968 CA ALA A 62 105.342 -1.857 -4.288 1.00 0.00 C ATOM 969 C ALA A 62 106.143 -3.090 -3.867 1.00 0.00 C ATOM 970 O ALA A 62 105.620 -4.184 -3.785 1.00 0.00 O ATOM 971 CB ALA A 62 105.592 -0.704 -3.313 1.00 0.00 C ATOM 0 H ALA A 62 103.362 -1.555 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 62 105.648 -1.604 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 62 106.650 -0.441 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 62 105.000 0.161 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 62 105.305 -1.010 -2.307 1.00 0.00 H new ATOM 977 N GLU A 63 107.409 -2.919 -3.595 1.00 0.00 N ATOM 978 CA GLU A 63 108.246 -4.077 -3.172 1.00 0.00 C ATOM 979 C GLU A 63 108.956 -3.755 -1.853 1.00 0.00 C ATOM 980 O GLU A 63 110.145 -3.500 -1.834 1.00 0.00 O ATOM 981 CB GLU A 63 109.258 -4.273 -4.302 1.00 0.00 C ATOM 982 CG GLU A 63 108.719 -5.299 -5.304 1.00 0.00 C ATOM 983 CD GLU A 63 108.795 -4.723 -6.720 1.00 0.00 C ATOM 984 OE1 GLU A 63 107.969 -3.883 -7.041 1.00 0.00 O ATOM 985 OE2 GLU A 63 109.676 -5.130 -7.459 1.00 0.00 O ATOM 0 H GLU A 63 107.899 -2.026 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 63 107.656 -4.977 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 63 109.446 -3.324 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.211 -4.613 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 63 109.298 -6.220 -5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 63 107.688 -5.554 -5.059 1.00 0.00 H new ATOM 992 N PRO A 64 108.197 -3.777 -0.787 1.00 0.00 N ATOM 993 CA PRO A 64 108.757 -3.481 0.551 1.00 0.00 C ATOM 994 C PRO A 64 109.520 -4.696 1.084 1.00 0.00 C ATOM 995 O PRO A 64 110.499 -4.563 1.794 1.00 0.00 O ATOM 996 CB PRO A 64 107.523 -3.195 1.400 1.00 0.00 C ATOM 997 CG PRO A 64 106.398 -3.920 0.725 1.00 0.00 C ATOM 998 CD PRO A 64 106.761 -4.076 -0.732 1.00 0.00 C ATOM 0 HA PRO A 64 109.465 -2.652 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 64 107.660 -3.547 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 64 107.324 -2.125 1.455 1.00 0.00 H new ATOM 0 HG2 PRO A 64 106.240 -4.895 1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 64 105.467 -3.363 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 64 106.552 -5.085 -1.087 1.00 0.00 H new ATOM 0 HD3 PRO A 64 106.189 -3.392 -1.359 1.00 0.00 H new ATOM 1006 N ASN A 65 109.082 -5.877 0.745 1.00 0.00 N ATOM 1007 CA ASN A 65 109.781 -7.103 1.225 1.00 0.00 C ATOM 1008 C ASN A 65 110.771 -7.591 0.164 1.00 0.00 C ATOM 1009 O ASN A 65 111.790 -8.177 0.474 1.00 0.00 O ATOM 1010 CB ASN A 65 108.673 -8.134 1.443 1.00 0.00 C ATOM 1011 CG ASN A 65 109.280 -9.440 1.961 1.00 0.00 C ATOM 1012 OD1 ASN A 65 108.920 -10.510 1.512 1.00 0.00 O ATOM 1013 ND2 ASN A 65 110.193 -9.398 2.893 1.00 0.00 N ATOM 0 H ASN A 65 108.268 -6.047 0.155 1.00 0.00 H new ATOM 0 HA ASN A 65 110.352 -6.925 2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 65 107.943 -7.752 2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 65 108.141 -8.314 0.509 1.00 0.00 H new ATOM 0 HD21 ASN A 65 110.604 -10.263 3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 65 110.496 -8.500 3.270 1.00 0.00 H new ATOM 1020 N CYS A 66 110.476 -7.351 -1.087 1.00 0.00 N ATOM 1021 CA CYS A 66 111.399 -7.798 -2.171 1.00 0.00 C ATOM 1022 C CYS A 66 112.752 -7.094 -2.035 1.00 0.00 C ATOM 1023 O CYS A 66 112.911 -6.187 -1.243 1.00 0.00 O ATOM 1024 CB CYS A 66 110.716 -7.402 -3.474 1.00 0.00 C ATOM 1025 SG CYS A 66 110.463 -8.869 -4.504 1.00 0.00 S ATOM 0 H CYS A 66 109.637 -6.865 -1.404 1.00 0.00 H new ATOM 0 HA CYS A 66 111.592 -8.870 -2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 66 109.759 -6.925 -3.263 1.00 0.00 H new ATOM 0 HB3 CYS A 66 111.325 -6.672 -4.008 1.00 0.00 H new ATOM 0 HG CYS A 66 109.878 -8.525 -5.613 1.00 0.00 H new ATOM 1031 N ALA A 67 113.727 -7.508 -2.799 1.00 0.00 N ATOM 1032 CA ALA A 67 115.069 -6.863 -2.710 1.00 0.00 C ATOM 1033 C ALA A 67 115.962 -7.327 -3.863 1.00 0.00 C ATOM 1034 O ALA A 67 115.556 -8.108 -4.700 1.00 0.00 O ATOM 1035 CB ALA A 67 115.639 -7.327 -1.369 1.00 0.00 C ATOM 0 H ALA A 67 113.653 -8.264 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 67 115.010 -5.777 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 67 116.629 -6.895 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 67 114.981 -7.003 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 67 115.713 -8.414 -1.362 1.00 0.00 H new ATOM 1041 N ASP A 68 117.177 -6.850 -3.910 1.00 0.00 N ATOM 1042 CA ASP A 68 118.102 -7.260 -5.006 1.00 0.00 C ATOM 1043 C ASP A 68 118.682 -8.650 -4.715 1.00 0.00 C ATOM 1044 O ASP A 68 119.149 -8.903 -3.625 1.00 0.00 O ATOM 1045 CB ASP A 68 119.211 -6.206 -5.001 1.00 0.00 C ATOM 1046 CG ASP A 68 120.006 -6.292 -6.305 1.00 0.00 C ATOM 1047 OD1 ASP A 68 119.384 -6.418 -7.348 1.00 0.00 O ATOM 1048 OD2 ASP A 68 121.222 -6.232 -6.240 1.00 0.00 O ATOM 0 H ASP A 68 117.569 -6.193 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 68 117.600 -7.320 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 68 118.780 -5.211 -4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 68 119.872 -6.363 -4.149 1.00 0.00 H new ATOM 1053 N PRO A 69 118.632 -9.513 -5.699 1.00 0.00 N ATOM 1054 CA PRO A 69 119.164 -10.886 -5.526 1.00 0.00 C ATOM 1055 C PRO A 69 120.695 -10.878 -5.593 1.00 0.00 C ATOM 1056 O PRO A 69 121.353 -11.767 -5.087 1.00 0.00 O ATOM 1057 CB PRO A 69 118.579 -11.650 -6.710 1.00 0.00 C ATOM 1058 CG PRO A 69 118.311 -10.613 -7.755 1.00 0.00 C ATOM 1059 CD PRO A 69 118.082 -9.301 -7.046 1.00 0.00 C ATOM 0 HA PRO A 69 118.901 -11.328 -4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 69 119.276 -12.405 -7.074 1.00 0.00 H new ATOM 0 HB3 PRO A 69 117.664 -12.171 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 69 119.153 -10.535 -8.442 1.00 0.00 H new ATOM 0 HG3 PRO A 69 117.439 -10.885 -8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 69 118.586 -8.480 -7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 69 117.022 -9.050 -7.008 1.00 0.00 H new ATOM 1067 N ALA A 70 121.266 -9.883 -6.221 1.00 0.00 N ATOM 1068 CA ALA A 70 122.753 -9.819 -6.330 1.00 0.00 C ATOM 1069 C ALA A 70 123.375 -9.426 -4.987 1.00 0.00 C ATOM 1070 O ALA A 70 124.491 -9.798 -4.679 1.00 0.00 O ATOM 1071 CB ALA A 70 123.027 -8.742 -7.380 1.00 0.00 C ATOM 0 H ALA A 70 120.766 -9.112 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 70 123.184 -10.781 -6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 70 124.103 -8.634 -7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 70 122.567 -9.030 -8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 70 122.607 -7.793 -7.046 1.00 0.00 H new ATOM 1077 N THR A 71 122.668 -8.671 -4.189 1.00 0.00 N ATOM 1078 CA THR A 71 123.230 -8.252 -2.871 1.00 0.00 C ATOM 1079 C THR A 71 122.158 -8.323 -1.779 1.00 0.00 C ATOM 1080 O THR A 71 122.305 -7.744 -0.721 1.00 0.00 O ATOM 1081 CB THR A 71 123.683 -6.808 -3.083 1.00 0.00 C ATOM 1082 OG1 THR A 71 124.397 -6.713 -4.308 1.00 0.00 O ATOM 1083 CG2 THR A 71 124.590 -6.377 -1.928 1.00 0.00 C ATOM 0 H THR A 71 121.729 -8.327 -4.391 1.00 0.00 H new ATOM 0 HA THR A 71 124.046 -8.899 -2.548 1.00 0.00 H new ATOM 0 HB THR A 71 122.810 -6.156 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 71 124.687 -5.787 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 71 124.911 -5.347 -2.082 1.00 0.00 H new ATOM 0 HG22 THR A 71 124.042 -6.449 -0.989 1.00 0.00 H new ATOM 0 HG23 THR A 71 125.464 -7.027 -1.889 1.00 0.00 H new ATOM 1091 N LEU A 72 121.082 -9.030 -2.025 1.00 0.00 N ATOM 1092 CA LEU A 72 119.993 -9.144 -1.000 1.00 0.00 C ATOM 1093 C LEU A 72 119.723 -7.785 -0.338 1.00 0.00 C ATOM 1094 O LEU A 72 119.331 -7.711 0.809 1.00 0.00 O ATOM 1095 CB LEU A 72 120.526 -10.142 0.031 1.00 0.00 C ATOM 1096 CG LEU A 72 119.460 -11.198 0.335 1.00 0.00 C ATOM 1097 CD1 LEU A 72 120.012 -12.203 1.348 1.00 0.00 C ATOM 1098 CD2 LEU A 72 118.218 -10.520 0.921 1.00 0.00 C ATOM 0 H LEU A 72 120.909 -9.535 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 72 119.051 -9.468 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 72 121.428 -10.622 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 72 120.804 -9.619 0.946 1.00 0.00 H new ATOM 0 HG LEU A 72 119.192 -11.716 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 72 119.253 -12.955 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 72 120.896 -12.688 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 72 120.280 -11.683 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 72 117.460 -11.273 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 72 118.487 -10.001 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 72 117.822 -9.802 0.202 1.00 0.00 H new ATOM 1110 N THR A 73 119.945 -6.714 -1.052 1.00 0.00 N ATOM 1111 CA THR A 73 119.717 -5.359 -0.467 1.00 0.00 C ATOM 1112 C THR A 73 118.219 -5.081 -0.323 1.00 0.00 C ATOM 1113 O THR A 73 117.442 -5.336 -1.221 1.00 0.00 O ATOM 1114 CB THR A 73 120.357 -4.377 -1.457 1.00 0.00 C ATOM 1115 OG1 THR A 73 120.724 -5.062 -2.648 1.00 0.00 O ATOM 1116 CG2 THR A 73 121.601 -3.753 -0.826 1.00 0.00 C ATOM 0 H THR A 73 120.275 -6.718 -2.017 1.00 0.00 H new ATOM 0 HA THR A 73 120.149 -5.268 0.530 1.00 0.00 H new ATOM 0 HB THR A 73 119.638 -3.594 -1.699 1.00 0.00 H new ATOM 0 HG1 THR A 73 121.384 -4.531 -3.141 1.00 0.00 H new ATOM 0 HG21 THR A 73 122.055 -3.056 -1.530 1.00 0.00 H new ATOM 0 HG22 THR A 73 121.320 -3.220 0.082 1.00 0.00 H new ATOM 0 HG23 THR A 73 122.317 -4.537 -0.580 1.00 0.00 H new ATOM 1124 N ARG A 74 117.812 -4.559 0.804 1.00 0.00 N ATOM 1125 CA ARG A 74 116.365 -4.263 1.016 1.00 0.00 C ATOM 1126 C ARG A 74 116.119 -2.747 0.976 1.00 0.00 C ATOM 1127 O ARG A 74 117.048 -1.969 1.063 1.00 0.00 O ATOM 1128 CB ARG A 74 116.055 -4.822 2.407 1.00 0.00 C ATOM 1129 CG ARG A 74 115.872 -6.342 2.318 1.00 0.00 C ATOM 1130 CD ARG A 74 114.523 -6.737 2.925 1.00 0.00 C ATOM 1131 NE ARG A 74 114.016 -7.834 2.053 1.00 0.00 N ATOM 1132 CZ ARG A 74 114.390 -9.067 2.269 1.00 0.00 C ATOM 1133 NH1 ARG A 74 115.639 -9.410 2.108 1.00 0.00 N ATOM 1134 NH2 ARG A 74 113.513 -9.960 2.639 1.00 0.00 N ATOM 0 H ARG A 74 118.421 -4.325 1.588 1.00 0.00 H new ATOM 0 HA ARG A 74 115.733 -4.704 0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 74 116.865 -4.582 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 74 115.152 -4.359 2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 74 115.921 -6.663 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 74 116.681 -6.847 2.846 1.00 0.00 H new ATOM 0 HD2 ARG A 74 114.637 -7.072 3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 74 113.834 -5.893 2.939 1.00 0.00 H new ATOM 0 HE ARG A 74 113.377 -7.622 1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 74 116.325 -8.715 1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 74 115.929 -10.373 2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 74 112.535 -9.695 2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 74 113.805 -10.923 2.808 1.00 0.00 H new ATOM 1148 N PRO A 75 114.868 -2.375 0.847 1.00 0.00 N ATOM 1149 CA PRO A 75 114.503 -0.934 0.801 1.00 0.00 C ATOM 1150 C PRO A 75 114.678 -0.296 2.184 1.00 0.00 C ATOM 1151 O PRO A 75 114.878 0.897 2.306 1.00 0.00 O ATOM 1152 CB PRO A 75 113.034 -0.952 0.385 1.00 0.00 C ATOM 1153 CG PRO A 75 112.527 -2.290 0.816 1.00 0.00 C ATOM 1154 CD PRO A 75 113.690 -3.245 0.734 1.00 0.00 C ATOM 0 HA PRO A 75 115.124 -0.352 0.120 1.00 0.00 H new ATOM 0 HB2 PRO A 75 112.478 -0.146 0.864 1.00 0.00 H new ATOM 0 HB3 PRO A 75 112.927 -0.817 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 75 112.135 -2.245 1.832 1.00 0.00 H new ATOM 0 HG3 PRO A 75 111.711 -2.619 0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 75 113.659 -3.982 1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 75 113.689 -3.797 -0.206 1.00 0.00 H new ATOM 1162 N VAL A 76 114.609 -1.085 3.226 1.00 0.00 N ATOM 1163 CA VAL A 76 114.779 -0.528 4.603 1.00 0.00 C ATOM 1164 C VAL A 76 116.146 0.153 4.728 1.00 0.00 C ATOM 1165 O VAL A 76 116.319 1.086 5.487 1.00 0.00 O ATOM 1166 CB VAL A 76 114.696 -1.741 5.537 1.00 0.00 C ATOM 1167 CG1 VAL A 76 114.838 -1.285 6.992 1.00 0.00 C ATOM 1168 CG2 VAL A 76 113.345 -2.436 5.354 1.00 0.00 C ATOM 0 H VAL A 76 114.442 -2.090 3.183 1.00 0.00 H new ATOM 0 HA VAL A 76 114.025 0.221 4.843 1.00 0.00 H new ATOM 0 HB VAL A 76 115.501 -2.435 5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 76 114.778 -2.150 7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 76 115.801 -0.792 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 76 114.036 -0.588 7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 76 113.286 -3.298 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 76 112.542 -1.739 5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 76 113.243 -2.767 4.320 1.00 0.00 H new ATOM 1178 N HIS A 77 117.118 -0.307 3.982 1.00 0.00 N ATOM 1179 CA HIS A 77 118.475 0.313 4.054 1.00 0.00 C ATOM 1180 C HIS A 77 118.440 1.726 3.468 1.00 0.00 C ATOM 1181 O HIS A 77 119.139 2.613 3.920 1.00 0.00 O ATOM 1182 CB HIS A 77 119.371 -0.590 3.204 1.00 0.00 C ATOM 1183 CG HIS A 77 119.830 -1.763 4.024 1.00 0.00 C ATOM 1184 ND1 HIS A 77 119.068 -2.914 4.155 1.00 0.00 N ATOM 1185 CD2 HIS A 77 120.971 -1.984 4.756 1.00 0.00 C ATOM 1186 CE1 HIS A 77 119.752 -3.766 4.938 1.00 0.00 C ATOM 1187 NE2 HIS A 77 120.920 -3.249 5.333 1.00 0.00 N ATOM 0 H HIS A 77 117.031 -1.084 3.327 1.00 0.00 H new ATOM 0 HA HIS A 77 118.834 0.398 5.080 1.00 0.00 H new ATOM 0 HB2 HIS A 77 118.826 -0.938 2.327 1.00 0.00 H new ATOM 0 HB3 HIS A 77 120.232 -0.028 2.842 1.00 0.00 H new ATOM 0 HD1 HIS A 77 118.155 -3.083 3.734 1.00 0.00 H new ATOM 0 HD2 HIS A 77 121.784 -1.282 4.867 1.00 0.00 H new ATOM 0 HE1 HIS A 77 119.401 -4.749 5.215 1.00 0.00 H new ATOM 1195 N ASP A 78 117.634 1.940 2.464 1.00 0.00 N ATOM 1196 CA ASP A 78 117.555 3.295 1.843 1.00 0.00 C ATOM 1197 C ASP A 78 116.711 4.229 2.715 1.00 0.00 C ATOM 1198 O ASP A 78 117.167 5.276 3.132 1.00 0.00 O ATOM 1199 CB ASP A 78 116.892 3.078 0.482 1.00 0.00 C ATOM 1200 CG ASP A 78 117.685 2.043 -0.319 1.00 0.00 C ATOM 1201 OD1 ASP A 78 118.847 2.299 -0.593 1.00 0.00 O ATOM 1202 OD2 ASP A 78 117.118 1.014 -0.644 1.00 0.00 O ATOM 0 H ASP A 78 117.026 1.236 2.046 1.00 0.00 H new ATOM 0 HA ASP A 78 118.537 3.758 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 78 115.865 2.739 0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 78 116.847 4.019 -0.066 1.00 0.00 H new ATOM 1207 N ALA A 79 115.486 3.863 3.001 1.00 0.00 N ATOM 1208 CA ALA A 79 114.622 4.739 3.853 1.00 0.00 C ATOM 1209 C ALA A 79 115.352 5.084 5.153 1.00 0.00 C ATOM 1210 O ALA A 79 115.117 6.115 5.752 1.00 0.00 O ATOM 1211 CB ALA A 79 113.362 3.917 4.132 1.00 0.00 C ATOM 0 H ALA A 79 115.048 2.999 2.683 1.00 0.00 H new ATOM 0 HA ALA A 79 114.379 5.683 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 79 112.680 4.497 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 79 112.873 3.669 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 79 113.634 2.998 4.652 1.00 0.00 H new ATOM 1217 N ALA A 80 116.250 4.238 5.580 1.00 0.00 N ATOM 1218 CA ALA A 80 117.014 4.526 6.826 1.00 0.00 C ATOM 1219 C ALA A 80 118.225 5.405 6.494 1.00 0.00 C ATOM 1220 O ALA A 80 118.768 6.079 7.346 1.00 0.00 O ATOM 1221 CB ALA A 80 117.463 3.160 7.343 1.00 0.00 C ATOM 0 H ALA A 80 116.487 3.360 5.119 1.00 0.00 H new ATOM 0 HA ALA A 80 116.421 5.060 7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 80 118.034 3.289 8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 80 116.588 2.541 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 80 118.087 2.674 6.593 1.00 0.00 H new ATOM 1227 N ARG A 81 118.647 5.401 5.256 1.00 0.00 N ATOM 1228 CA ARG A 81 119.818 6.234 4.849 1.00 0.00 C ATOM 1229 C ARG A 81 119.407 7.707 4.724 1.00 0.00 C ATOM 1230 O ARG A 81 120.241 8.592 4.703 1.00 0.00 O ATOM 1231 CB ARG A 81 120.234 5.678 3.485 1.00 0.00 C ATOM 1232 CG ARG A 81 121.445 6.450 2.953 1.00 0.00 C ATOM 1233 CD ARG A 81 122.716 5.932 3.626 1.00 0.00 C ATOM 1234 NE ARG A 81 123.832 6.631 2.929 1.00 0.00 N ATOM 1235 CZ ARG A 81 124.699 7.322 3.616 1.00 0.00 C ATOM 1236 NH1 ARG A 81 125.238 6.809 4.688 1.00 0.00 N ATOM 1237 NH2 ARG A 81 125.028 8.525 3.231 1.00 0.00 N ATOM 0 H ARG A 81 118.228 4.853 4.505 1.00 0.00 H new ATOM 0 HA ARG A 81 120.629 6.193 5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 81 120.477 4.619 3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 81 119.404 5.757 2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 81 121.519 6.331 1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 81 121.325 7.515 3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 81 122.716 6.154 4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 81 122.803 4.850 3.525 1.00 0.00 H new ATOM 0 HE ARG A 81 123.918 6.569 1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 81 124.981 5.869 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 81 125.916 7.348 5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 81 124.607 8.925 2.393 1.00 0.00 H new ATOM 0 HH22 ARG A 81 125.706 9.065 3.769 1.00 0.00 H new ATOM 1251 N GLU A 82 118.131 7.977 4.632 1.00 0.00 N ATOM 1252 CA GLU A 82 117.675 9.392 4.497 1.00 0.00 C ATOM 1253 C GLU A 82 117.178 9.921 5.844 1.00 0.00 C ATOM 1254 O GLU A 82 117.343 11.082 6.163 1.00 0.00 O ATOM 1255 CB GLU A 82 116.530 9.357 3.479 1.00 0.00 C ATOM 1256 CG GLU A 82 116.907 8.469 2.284 1.00 0.00 C ATOM 1257 CD GLU A 82 118.258 8.909 1.710 1.00 0.00 C ATOM 1258 OE1 GLU A 82 118.551 10.091 1.776 1.00 0.00 O ATOM 1259 OE2 GLU A 82 118.975 8.055 1.213 1.00 0.00 O ATOM 0 H GLU A 82 117.386 7.280 4.644 1.00 0.00 H new ATOM 0 HA GLU A 82 118.482 10.050 4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 82 115.625 8.977 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 82 116.309 10.367 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 82 116.958 7.426 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 82 116.137 8.534 1.515 1.00 0.00 H new ATOM 1266 N GLY A 83 116.571 9.080 6.639 1.00 0.00 N ATOM 1267 CA GLY A 83 116.068 9.537 7.967 1.00 0.00 C ATOM 1268 C GLY A 83 114.556 9.760 7.894 1.00 0.00 C ATOM 1269 O GLY A 83 114.020 10.642 8.536 1.00 0.00 O ATOM 0 H GLY A 83 116.402 8.097 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 83 116.300 8.794 8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 83 116.568 10.460 8.259 1.00 0.00 H new ATOM 1273 N PHE A 84 113.865 8.968 7.119 1.00 0.00 N ATOM 1274 CA PHE A 84 112.387 9.135 7.006 1.00 0.00 C ATOM 1275 C PHE A 84 111.670 8.040 7.804 1.00 0.00 C ATOM 1276 O PHE A 84 111.619 6.897 7.395 1.00 0.00 O ATOM 1277 CB PHE A 84 112.081 9.001 5.511 1.00 0.00 C ATOM 1278 CG PHE A 84 111.249 10.178 5.055 1.00 0.00 C ATOM 1279 CD1 PHE A 84 109.862 10.168 5.238 1.00 0.00 C ATOM 1280 CD2 PHE A 84 111.867 11.277 4.449 1.00 0.00 C ATOM 1281 CE1 PHE A 84 109.092 11.259 4.815 1.00 0.00 C ATOM 1282 CE2 PHE A 84 111.098 12.368 4.026 1.00 0.00 C ATOM 1283 CZ PHE A 84 109.710 12.358 4.208 1.00 0.00 C ATOM 0 H PHE A 84 114.260 8.212 6.559 1.00 0.00 H new ATOM 0 HA PHE A 84 112.048 10.092 7.404 1.00 0.00 H new ATOM 0 HB2 PHE A 84 113.010 8.957 4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 84 111.547 8.070 5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 84 109.385 9.319 5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 84 112.938 11.284 4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 84 108.021 11.252 4.957 1.00 0.00 H new ATOM 0 HE2 PHE A 84 111.576 13.217 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 84 109.116 13.198 3.880 1.00 0.00 H new ATOM 1293 N LEU A 85 111.118 8.384 8.936 1.00 0.00 N ATOM 1294 CA LEU A 85 110.403 7.366 9.761 1.00 0.00 C ATOM 1295 C LEU A 85 109.018 7.083 9.171 1.00 0.00 C ATOM 1296 O LEU A 85 108.427 6.050 9.421 1.00 0.00 O ATOM 1297 CB LEU A 85 110.272 7.997 11.150 1.00 0.00 C ATOM 1298 CG LEU A 85 111.357 7.449 12.083 1.00 0.00 C ATOM 1299 CD1 LEU A 85 111.200 5.934 12.227 1.00 0.00 C ATOM 1300 CD2 LEU A 85 112.740 7.766 11.506 1.00 0.00 C ATOM 0 H LEU A 85 111.131 9.326 9.326 1.00 0.00 H new ATOM 0 HA LEU A 85 110.937 6.416 9.793 1.00 0.00 H new ATOM 0 HB2 LEU A 85 110.360 9.081 11.075 1.00 0.00 H new ATOM 0 HB3 LEU A 85 109.286 7.785 11.563 1.00 0.00 H new ATOM 0 HG LEU A 85 111.256 7.917 13.062 1.00 0.00 H new ATOM 0 HD11 LEU A 85 111.974 5.550 12.891 1.00 0.00 H new ATOM 0 HD12 LEU A 85 110.219 5.708 12.644 1.00 0.00 H new ATOM 0 HD13 LEU A 85 111.295 5.464 11.248 1.00 0.00 H new ATOM 0 HD21 LEU A 85 113.510 7.375 12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 85 112.840 7.303 10.524 1.00 0.00 H new ATOM 0 HD23 LEU A 85 112.856 8.846 11.411 1.00 0.00 H new ATOM 1312 N ASP A 86 108.494 7.996 8.397 1.00 0.00 N ATOM 1313 CA ASP A 86 107.143 7.783 7.797 1.00 0.00 C ATOM 1314 C ASP A 86 107.185 6.653 6.765 1.00 0.00 C ATOM 1315 O ASP A 86 106.364 5.756 6.783 1.00 0.00 O ATOM 1316 CB ASP A 86 106.790 9.113 7.128 1.00 0.00 C ATOM 1317 CG ASP A 86 105.309 9.120 6.737 1.00 0.00 C ATOM 1318 OD1 ASP A 86 104.590 8.242 7.186 1.00 0.00 O ATOM 1319 OD2 ASP A 86 104.918 10.006 5.993 1.00 0.00 O ATOM 0 H ASP A 86 108.942 8.880 8.154 1.00 0.00 H new ATOM 0 HA ASP A 86 106.404 7.495 8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 86 107.000 9.939 7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 86 107.410 9.262 6.244 1.00 0.00 H new ATOM 1324 N THR A 87 108.133 6.684 5.865 1.00 0.00 N ATOM 1325 CA THR A 87 108.218 5.606 4.836 1.00 0.00 C ATOM 1326 C THR A 87 108.539 4.266 5.504 1.00 0.00 C ATOM 1327 O THR A 87 108.084 3.224 5.073 1.00 0.00 O ATOM 1328 CB THR A 87 109.353 6.028 3.898 1.00 0.00 C ATOM 1329 OG1 THR A 87 109.028 7.275 3.298 1.00 0.00 O ATOM 1330 CG2 THR A 87 109.543 4.970 2.808 1.00 0.00 C ATOM 0 H THR A 87 108.850 7.407 5.798 1.00 0.00 H new ATOM 0 HA THR A 87 107.279 5.477 4.297 1.00 0.00 H new ATOM 0 HB THR A 87 110.277 6.126 4.468 1.00 0.00 H new ATOM 0 HG1 THR A 87 109.289 8.005 3.898 1.00 0.00 H new ATOM 0 HG21 THR A 87 110.351 5.274 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 87 109.792 4.014 3.268 1.00 0.00 H new ATOM 0 HG23 THR A 87 108.621 4.868 2.236 1.00 0.00 H new ATOM 1338 N LEU A 88 109.314 4.283 6.556 1.00 0.00 N ATOM 1339 CA LEU A 88 109.655 3.007 7.252 1.00 0.00 C ATOM 1340 C LEU A 88 108.382 2.354 7.793 1.00 0.00 C ATOM 1341 O LEU A 88 108.140 1.180 7.590 1.00 0.00 O ATOM 1342 CB LEU A 88 110.586 3.405 8.399 1.00 0.00 C ATOM 1343 CG LEU A 88 112.005 2.918 8.097 1.00 0.00 C ATOM 1344 CD1 LEU A 88 112.784 4.027 7.392 1.00 0.00 C ATOM 1345 CD2 LEU A 88 112.709 2.553 9.406 1.00 0.00 C ATOM 0 H LEU A 88 109.725 5.123 6.963 1.00 0.00 H new ATOM 0 HA LEU A 88 110.128 2.287 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 88 110.581 4.487 8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 88 110.233 2.972 9.335 1.00 0.00 H new ATOM 0 HG LEU A 88 111.958 2.040 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 88 113.795 3.681 7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 88 112.283 4.287 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 88 112.831 4.905 8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 88 113.720 2.206 9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 88 112.756 3.431 10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 88 112.153 1.762 9.910 1.00 0.00 H new ATOM 1357 N VAL A 89 107.557 3.110 8.472 1.00 0.00 N ATOM 1358 CA VAL A 89 106.292 2.534 9.015 1.00 0.00 C ATOM 1359 C VAL A 89 105.438 2.000 7.864 1.00 0.00 C ATOM 1360 O VAL A 89 104.834 0.948 7.957 1.00 0.00 O ATOM 1361 CB VAL A 89 105.586 3.699 9.713 1.00 0.00 C ATOM 1362 CG1 VAL A 89 104.260 3.213 10.300 1.00 0.00 C ATOM 1363 CG2 VAL A 89 106.472 4.238 10.839 1.00 0.00 C ATOM 0 H VAL A 89 107.705 4.099 8.673 1.00 0.00 H new ATOM 0 HA VAL A 89 106.470 1.706 9.701 1.00 0.00 H new ATOM 0 HB VAL A 89 105.397 4.492 8.989 1.00 0.00 H new ATOM 0 HG11 VAL A 89 103.757 4.042 10.797 1.00 0.00 H new ATOM 0 HG12 VAL A 89 103.626 2.831 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 89 104.451 2.419 11.022 1.00 0.00 H new ATOM 0 HG21 VAL A 89 105.967 5.067 11.334 1.00 0.00 H new ATOM 0 HG22 VAL A 89 106.663 3.446 11.563 1.00 0.00 H new ATOM 0 HG23 VAL A 89 107.418 4.585 10.423 1.00 0.00 H new ATOM 1373 N VAL A 90 105.388 2.721 6.775 1.00 0.00 N ATOM 1374 CA VAL A 90 104.581 2.272 5.607 1.00 0.00 C ATOM 1375 C VAL A 90 104.982 0.849 5.201 1.00 0.00 C ATOM 1376 O VAL A 90 104.153 -0.035 5.102 1.00 0.00 O ATOM 1377 CB VAL A 90 104.918 3.267 4.493 1.00 0.00 C ATOM 1378 CG1 VAL A 90 104.198 2.864 3.203 1.00 0.00 C ATOM 1379 CG2 VAL A 90 104.463 4.668 4.907 1.00 0.00 C ATOM 0 H VAL A 90 105.876 3.607 6.646 1.00 0.00 H new ATOM 0 HA VAL A 90 103.513 2.248 5.824 1.00 0.00 H new ATOM 0 HB VAL A 90 105.995 3.264 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 90 104.441 3.575 2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 90 104.519 1.866 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 90 103.121 2.864 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 90 104.702 5.377 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 90 103.387 4.665 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 90 104.975 4.961 5.823 1.00 0.00 H new ATOM 1389 N LEU A 91 106.249 0.624 4.967 1.00 0.00 N ATOM 1390 CA LEU A 91 106.711 -0.739 4.565 1.00 0.00 C ATOM 1391 C LEU A 91 106.215 -1.791 5.561 1.00 0.00 C ATOM 1392 O LEU A 91 105.616 -2.779 5.182 1.00 0.00 O ATOM 1393 CB LEU A 91 108.239 -0.663 4.585 1.00 0.00 C ATOM 1394 CG LEU A 91 108.747 -0.237 3.207 1.00 0.00 C ATOM 1395 CD1 LEU A 91 108.932 1.281 3.177 1.00 0.00 C ATOM 1396 CD2 LEU A 91 110.087 -0.919 2.925 1.00 0.00 C ATOM 0 H LEU A 91 106.985 1.326 5.037 1.00 0.00 H new ATOM 0 HA LEU A 91 106.327 -1.027 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 91 108.568 0.049 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 91 108.658 -1.632 4.855 1.00 0.00 H new ATOM 0 HG LEU A 91 108.022 -0.529 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 91 109.294 1.584 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 91 107.978 1.768 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 91 109.656 1.574 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 91 110.450 -0.616 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 91 110.811 -0.627 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 91 109.956 -2.001 2.945 1.00 0.00 H new ATOM 1408 N HIS A 92 106.454 -1.588 6.830 1.00 0.00 N ATOM 1409 CA HIS A 92 105.990 -2.582 7.845 1.00 0.00 C ATOM 1410 C HIS A 92 104.463 -2.708 7.802 1.00 0.00 C ATOM 1411 O HIS A 92 103.905 -3.719 8.183 1.00 0.00 O ATOM 1412 CB HIS A 92 106.442 -2.021 9.195 1.00 0.00 C ATOM 1413 CG HIS A 92 106.810 -3.155 10.116 1.00 0.00 C ATOM 1414 ND1 HIS A 92 106.987 -2.971 11.480 1.00 0.00 N ATOM 1415 CD2 HIS A 92 107.035 -4.491 9.886 1.00 0.00 C ATOM 1416 CE1 HIS A 92 107.305 -4.165 12.012 1.00 0.00 C ATOM 1417 NE2 HIS A 92 107.349 -5.126 11.085 1.00 0.00 N ATOM 0 H HIS A 92 106.949 -0.780 7.208 1.00 0.00 H new ATOM 0 HA HIS A 92 106.399 -3.576 7.662 1.00 0.00 H new ATOM 0 HB2 HIS A 92 107.297 -1.359 9.057 1.00 0.00 H new ATOM 0 HB3 HIS A 92 105.645 -1.424 9.637 1.00 0.00 H new ATOM 0 HD2 HIS A 92 106.977 -4.975 8.922 1.00 0.00 H new ATOM 0 HE1 HIS A 92 107.501 -4.327 13.062 1.00 0.00 H new ATOM 0 HE2 HIS A 92 107.566 -6.113 11.225 1.00 0.00 H new ATOM 1425 N ARG A 93 103.787 -1.690 7.341 1.00 0.00 N ATOM 1426 CA ARG A 93 102.297 -1.748 7.272 1.00 0.00 C ATOM 1427 C ARG A 93 101.852 -2.671 6.132 1.00 0.00 C ATOM 1428 O ARG A 93 100.750 -3.187 6.137 1.00 0.00 O ATOM 1429 CB ARG A 93 101.859 -0.308 6.995 1.00 0.00 C ATOM 1430 CG ARG A 93 100.597 0.006 7.799 1.00 0.00 C ATOM 1431 CD ARG A 93 100.594 1.486 8.190 1.00 0.00 C ATOM 1432 NE ARG A 93 101.292 1.538 9.504 1.00 0.00 N ATOM 1433 CZ ARG A 93 100.598 1.596 10.607 1.00 0.00 C ATOM 1434 NH1 ARG A 93 99.543 0.841 10.752 1.00 0.00 N ATOM 1435 NH2 ARG A 93 100.957 2.407 11.565 1.00 0.00 N ATOM 0 H ARG A 93 104.202 -0.820 7.009 1.00 0.00 H new ATOM 0 HA ARG A 93 101.857 -2.142 8.188 1.00 0.00 H new ATOM 0 HB2 ARG A 93 102.657 0.384 7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 93 101.667 -0.174 5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 93 99.710 -0.227 7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 93 100.558 -0.617 8.693 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.109 2.092 7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 93 99.578 1.872 8.267 1.00 0.00 H new ATOM 0 HE ARG A 93 102.311 1.528 9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 93 99.263 0.207 10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 93 98.999 0.885 11.614 1.00 0.00 H new ATOM 0 HH21 ARG A 93 101.781 2.997 11.452 1.00 0.00 H new ATOM 0 HH22 ARG A 93 100.413 2.451 12.427 1.00 0.00 H new ATOM 1449 N ALA A 94 102.695 -2.881 5.156 1.00 0.00 N ATOM 1450 CA ALA A 94 102.320 -3.761 4.023 1.00 0.00 C ATOM 1451 C ALA A 94 103.307 -4.928 3.896 1.00 0.00 C ATOM 1452 O ALA A 94 103.612 -5.376 2.809 1.00 0.00 O ATOM 1453 CB ALA A 94 102.379 -2.866 2.783 1.00 0.00 C ATOM 0 H ALA A 94 103.630 -2.477 5.099 1.00 0.00 H new ATOM 0 HA ALA A 94 101.332 -4.202 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 94 102.113 -3.448 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 94 101.678 -2.039 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 94 103.388 -2.472 2.667 1.00 0.00 H new ATOM 1459 N GLY A 95 103.804 -5.423 4.998 1.00 0.00 N ATOM 1460 CA GLY A 95 104.767 -6.558 4.934 1.00 0.00 C ATOM 1461 C GLY A 95 106.142 -6.042 4.506 1.00 0.00 C ATOM 1462 O GLY A 95 106.323 -5.583 3.394 1.00 0.00 O ATOM 0 H GLY A 95 103.585 -5.091 5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 95 104.837 -7.044 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 95 104.413 -7.309 4.227 1.00 0.00 H new ATOM 1466 N ALA A 96 107.113 -6.117 5.376 1.00 0.00 N ATOM 1467 CA ALA A 96 108.480 -5.636 5.017 1.00 0.00 C ATOM 1468 C ALA A 96 109.528 -6.341 5.882 1.00 0.00 C ATOM 1469 O ALA A 96 109.399 -6.424 7.088 1.00 0.00 O ATOM 1470 CB ALA A 96 108.466 -4.133 5.302 1.00 0.00 C ATOM 0 H ALA A 96 107.019 -6.491 6.320 1.00 0.00 H new ATOM 0 HA ALA A 96 108.732 -5.845 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 96 109.440 -3.708 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 96 107.700 -3.654 4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 96 108.247 -3.965 6.356 1.00 0.00 H new ATOM 1476 N ARG A 97 110.564 -6.855 5.272 1.00 0.00 N ATOM 1477 CA ARG A 97 111.621 -7.557 6.057 1.00 0.00 C ATOM 1478 C ARG A 97 112.543 -6.532 6.726 1.00 0.00 C ATOM 1479 O ARG A 97 112.875 -5.513 6.152 1.00 0.00 O ATOM 1480 CB ARG A 97 112.392 -8.399 5.029 1.00 0.00 C ATOM 1481 CG ARG A 97 113.650 -8.998 5.676 1.00 0.00 C ATOM 1482 CD ARG A 97 113.524 -10.521 5.741 1.00 0.00 C ATOM 1483 NE ARG A 97 112.336 -10.770 6.606 1.00 0.00 N ATOM 1484 CZ ARG A 97 111.265 -11.321 6.104 1.00 0.00 C ATOM 1485 NH1 ARG A 97 111.362 -12.416 5.402 1.00 0.00 N ATOM 1486 NH2 ARG A 97 110.095 -10.778 6.305 1.00 0.00 N ATOM 0 H ARG A 97 110.723 -6.819 4.265 1.00 0.00 H new ATOM 0 HA ARG A 97 111.207 -8.177 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 97 111.754 -9.197 4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 97 112.671 -7.780 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 97 114.533 -8.721 5.100 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.783 -8.592 6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.387 -10.949 4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 97 114.421 -10.974 6.162 1.00 0.00 H new ATOM 0 HE ARG A 97 112.360 -10.509 7.592 1.00 0.00 H new ATOM 0 HH11 ARG A 97 112.275 -12.842 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 97 110.524 -12.846 5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 97 110.018 -9.922 6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 97 109.258 -11.209 5.912 1.00 0.00 H new ATOM 1500 N LEU A 98 112.962 -6.800 7.936 1.00 0.00 N ATOM 1501 CA LEU A 98 113.867 -5.849 8.646 1.00 0.00 C ATOM 1502 C LEU A 98 115.035 -6.606 9.290 1.00 0.00 C ATOM 1503 O LEU A 98 115.781 -6.056 10.075 1.00 0.00 O ATOM 1504 CB LEU A 98 112.993 -5.192 9.716 1.00 0.00 C ATOM 1505 CG LEU A 98 112.284 -3.972 9.118 1.00 0.00 C ATOM 1506 CD1 LEU A 98 110.814 -4.310 8.863 1.00 0.00 C ATOM 1507 CD2 LEU A 98 112.373 -2.794 10.092 1.00 0.00 C ATOM 0 H LEU A 98 112.716 -7.638 8.463 1.00 0.00 H new ATOM 0 HA LEU A 98 114.304 -5.113 7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 98 112.259 -5.906 10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 98 113.605 -4.890 10.566 1.00 0.00 H new ATOM 0 HG LEU A 98 112.765 -3.701 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 98 110.310 -3.442 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 98 110.748 -5.146 8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.335 -4.583 9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 98 111.868 -1.928 9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.895 -3.064 11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 98 113.420 -2.550 10.273 1.00 0.00 H new ATOM 1519 N ASP A 99 115.204 -7.860 8.960 1.00 0.00 N ATOM 1520 CA ASP A 99 116.328 -8.646 9.547 1.00 0.00 C ATOM 1521 C ASP A 99 117.371 -8.956 8.468 1.00 0.00 C ATOM 1522 O ASP A 99 118.136 -9.893 8.581 1.00 0.00 O ATOM 1523 CB ASP A 99 115.685 -9.934 10.067 1.00 0.00 C ATOM 1524 CG ASP A 99 115.022 -10.684 8.909 1.00 0.00 C ATOM 1525 OD1 ASP A 99 115.741 -11.301 8.141 1.00 0.00 O ATOM 1526 OD2 ASP A 99 113.807 -10.627 8.810 1.00 0.00 O ATOM 0 H ASP A 99 114.611 -8.374 8.308 1.00 0.00 H new ATOM 0 HA ASP A 99 116.844 -8.105 10.340 1.00 0.00 H new ATOM 0 HB2 ASP A 99 116.440 -10.565 10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 99 114.945 -9.699 10.832 1.00 0.00 H new ATOM 1531 N VAL A 100 117.403 -8.171 7.422 1.00 0.00 N ATOM 1532 CA VAL A 100 118.394 -8.410 6.330 1.00 0.00 C ATOM 1533 C VAL A 100 119.671 -7.608 6.599 1.00 0.00 C ATOM 1534 O VAL A 100 119.625 -6.514 7.125 1.00 0.00 O ATOM 1535 CB VAL A 100 117.699 -7.924 5.054 1.00 0.00 C ATOM 1536 CG1 VAL A 100 117.366 -6.432 5.179 1.00 0.00 C ATOM 1537 CG2 VAL A 100 118.625 -8.144 3.854 1.00 0.00 C ATOM 0 H VAL A 100 116.784 -7.373 7.277 1.00 0.00 H new ATOM 0 HA VAL A 100 118.690 -9.456 6.253 1.00 0.00 H new ATOM 0 HB VAL A 100 116.776 -8.486 4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 100 116.872 -6.092 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 100 116.704 -6.277 6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 100 118.285 -5.865 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 100 118.132 -7.799 2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 100 119.549 -7.585 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 100 118.854 -9.206 3.761 1.00 0.00 H new ATOM 1547 N CYS A 101 120.812 -8.144 6.249 1.00 0.00 N ATOM 1548 CA CYS A 101 122.089 -7.408 6.494 1.00 0.00 C ATOM 1549 C CYS A 101 122.762 -7.050 5.165 1.00 0.00 C ATOM 1550 O CYS A 101 123.962 -7.167 5.019 1.00 0.00 O ATOM 1551 CB CYS A 101 122.971 -8.375 7.291 1.00 0.00 C ATOM 1552 SG CYS A 101 122.075 -8.964 8.752 1.00 0.00 S ATOM 0 H CYS A 101 120.915 -9.057 5.805 1.00 0.00 H new ATOM 0 HA CYS A 101 121.921 -6.474 7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 101 123.258 -9.220 6.665 1.00 0.00 H new ATOM 0 HB3 CYS A 101 123.891 -7.876 7.595 1.00 0.00 H new ATOM 0 HG CYS A 101 122.828 -9.785 9.421 1.00 0.00 H new ATOM 1558 N ASP A 102 121.998 -6.614 4.197 1.00 0.00 N ATOM 1559 CA ASP A 102 122.591 -6.247 2.874 1.00 0.00 C ATOM 1560 C ASP A 102 123.445 -7.400 2.334 1.00 0.00 C ATOM 1561 O ASP A 102 124.654 -7.312 2.265 1.00 0.00 O ATOM 1562 CB ASP A 102 123.458 -5.014 3.151 1.00 0.00 C ATOM 1563 CG ASP A 102 124.130 -4.553 1.855 1.00 0.00 C ATOM 1564 OD1 ASP A 102 123.588 -4.828 0.797 1.00 0.00 O ATOM 1565 OD2 ASP A 102 125.177 -3.933 1.943 1.00 0.00 O ATOM 0 H ASP A 102 120.987 -6.496 4.265 1.00 0.00 H new ATOM 0 HA ASP A 102 121.827 -6.044 2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.845 -4.211 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 102 124.214 -5.250 3.900 1.00 0.00 H new ATOM 1570 N ALA A 103 122.815 -8.480 1.950 1.00 0.00 N ATOM 1571 CA ALA A 103 123.566 -9.659 1.413 1.00 0.00 C ATOM 1572 C ALA A 103 124.493 -10.232 2.489 1.00 0.00 C ATOM 1573 O ALA A 103 124.199 -11.237 3.105 1.00 0.00 O ATOM 1574 CB ALA A 103 124.381 -9.139 0.221 1.00 0.00 C ATOM 0 H ALA A 103 121.803 -8.598 1.985 1.00 0.00 H new ATOM 0 HA ALA A 103 122.891 -10.459 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 103 124.953 -9.959 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 103 123.706 -8.729 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 103 125.064 -8.360 0.559 1.00 0.00 H new ATOM 1580 N TRP A 104 125.612 -9.598 2.717 1.00 0.00 N ATOM 1581 CA TRP A 104 126.565 -10.098 3.752 1.00 0.00 C ATOM 1582 C TRP A 104 127.433 -8.945 4.257 1.00 0.00 C ATOM 1583 O TRP A 104 128.638 -9.065 4.371 1.00 0.00 O ATOM 1584 CB TRP A 104 127.435 -11.155 3.052 1.00 0.00 C ATOM 1585 CG TRP A 104 127.428 -10.943 1.567 1.00 0.00 C ATOM 1586 CD1 TRP A 104 126.957 -11.830 0.663 1.00 0.00 C ATOM 1587 CD2 TRP A 104 127.901 -9.792 0.805 1.00 0.00 C ATOM 1588 NE1 TRP A 104 127.111 -11.301 -0.606 1.00 0.00 N ATOM 1589 CE2 TRP A 104 127.688 -10.047 -0.571 1.00 0.00 C ATOM 1590 CE3 TRP A 104 128.489 -8.566 1.169 1.00 0.00 C ATOM 1591 CZ2 TRP A 104 128.044 -9.120 -1.550 1.00 0.00 C ATOM 1592 CZ3 TRP A 104 128.848 -7.631 0.184 1.00 0.00 C ATOM 1593 CH2 TRP A 104 128.626 -7.907 -1.172 1.00 0.00 C ATOM 0 H TRP A 104 125.909 -8.752 2.230 1.00 0.00 H new ATOM 0 HA TRP A 104 126.045 -10.520 4.612 1.00 0.00 H new ATOM 0 HB2 TRP A 104 128.457 -11.100 3.428 1.00 0.00 H new ATOM 0 HB3 TRP A 104 127.063 -12.153 3.284 1.00 0.00 H new ATOM 0 HD1 TRP A 104 126.530 -12.795 0.894 1.00 0.00 H new ATOM 0 HE1 TRP A 104 126.832 -11.779 -1.463 1.00 0.00 H new ATOM 0 HE3 TRP A 104 128.665 -8.343 2.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 127.871 -9.338 -2.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 129.298 -6.693 0.474 1.00 0.00 H new ATOM 0 HH2 TRP A 104 128.904 -7.183 -1.924 1.00 0.00 H new ATOM 1604 N GLY A 105 126.832 -7.823 4.552 1.00 0.00 N ATOM 1605 CA GLY A 105 127.623 -6.658 5.041 1.00 0.00 C ATOM 1606 C GLY A 105 127.001 -6.103 6.323 1.00 0.00 C ATOM 1607 O GLY A 105 126.927 -6.778 7.332 1.00 0.00 O ATOM 0 H GLY A 105 125.827 -7.664 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 105 128.653 -6.961 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 105 127.653 -5.882 4.276 1.00 0.00 H new ATOM 1611 N ARG A 106 126.562 -4.873 6.295 1.00 0.00 N ATOM 1612 CA ARG A 106 125.956 -4.264 7.514 1.00 0.00 C ATOM 1613 C ARG A 106 124.430 -4.387 7.478 1.00 0.00 C ATOM 1614 O ARG A 106 123.861 -4.948 6.561 1.00 0.00 O ATOM 1615 CB ARG A 106 126.372 -2.792 7.471 1.00 0.00 C ATOM 1616 CG ARG A 106 127.897 -2.688 7.535 1.00 0.00 C ATOM 1617 CD ARG A 106 128.364 -1.508 6.676 1.00 0.00 C ATOM 1618 NE ARG A 106 129.716 -1.162 7.197 1.00 0.00 N ATOM 1619 CZ ARG A 106 130.068 0.088 7.323 1.00 0.00 C ATOM 1620 NH1 ARG A 106 129.571 0.812 8.289 1.00 0.00 N ATOM 1621 NH2 ARG A 106 130.915 0.616 6.482 1.00 0.00 N ATOM 0 H ARG A 106 126.597 -4.263 5.479 1.00 0.00 H new ATOM 0 HA ARG A 106 126.290 -4.760 8.425 1.00 0.00 H new ATOM 0 HB2 ARG A 106 126.004 -2.326 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 106 125.925 -2.253 8.306 1.00 0.00 H new ATOM 0 HG2 ARG A 106 128.220 -2.551 8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 106 128.351 -3.613 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 106 128.405 -1.780 5.621 1.00 0.00 H new ATOM 0 HD3 ARG A 106 127.680 -0.663 6.761 1.00 0.00 H new ATOM 0 HE ARG A 106 130.367 -1.903 7.456 1.00 0.00 H new ATOM 0 HH11 ARG A 106 128.907 0.400 8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 106 129.846 1.789 8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 106 131.302 0.051 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 106 131.190 1.593 6.581 1.00 0.00 H new ATOM 1635 N LEU A 107 123.767 -3.863 8.474 1.00 0.00 N ATOM 1636 CA LEU A 107 122.278 -3.939 8.515 1.00 0.00 C ATOM 1637 C LEU A 107 121.675 -2.573 8.168 1.00 0.00 C ATOM 1638 O LEU A 107 122.391 -1.602 8.031 1.00 0.00 O ATOM 1639 CB LEU A 107 121.953 -4.320 9.961 1.00 0.00 C ATOM 1640 CG LEU A 107 121.852 -5.841 10.076 1.00 0.00 C ATOM 1641 CD1 LEU A 107 123.250 -6.430 10.270 1.00 0.00 C ATOM 1642 CD2 LEU A 107 120.976 -6.205 11.278 1.00 0.00 C ATOM 0 H LEU A 107 124.196 -3.383 9.265 1.00 0.00 H new ATOM 0 HA LEU A 107 121.872 -4.655 7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 107 122.727 -3.944 10.630 1.00 0.00 H new ATOM 0 HB3 LEU A 107 121.015 -3.858 10.268 1.00 0.00 H new ATOM 0 HG LEU A 107 121.408 -6.246 9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 107 123.180 -7.515 10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 107 123.876 -6.171 9.416 1.00 0.00 H new ATOM 0 HD13 LEU A 107 123.692 -6.025 11.180 1.00 0.00 H new ATOM 0 HD21 LEU A 107 120.904 -7.289 11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 107 121.420 -5.801 12.188 1.00 0.00 H new ATOM 0 HD23 LEU A 107 119.980 -5.784 11.143 1.00 0.00 H new ATOM 1654 N PRO A 108 120.371 -2.535 8.042 1.00 0.00 N ATOM 1655 CA PRO A 108 119.681 -1.260 7.714 1.00 0.00 C ATOM 1656 C PRO A 108 119.795 -0.278 8.885 1.00 0.00 C ATOM 1657 O PRO A 108 119.640 0.916 8.721 1.00 0.00 O ATOM 1658 CB PRO A 108 118.232 -1.685 7.482 1.00 0.00 C ATOM 1659 CG PRO A 108 118.082 -2.960 8.246 1.00 0.00 C ATOM 1660 CD PRO A 108 119.421 -3.648 8.190 1.00 0.00 C ATOM 0 HA PRO A 108 120.106 -0.747 6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 108 117.535 -0.926 7.838 1.00 0.00 H new ATOM 0 HB3 PRO A 108 118.028 -1.833 6.422 1.00 0.00 H new ATOM 0 HG2 PRO A 108 117.789 -2.763 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 108 117.305 -3.586 7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 108 119.615 -4.224 9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.481 -4.342 7.352 1.00 0.00 H new ATOM 1668 N VAL A 109 120.070 -0.774 10.064 1.00 0.00 N ATOM 1669 CA VAL A 109 120.202 0.128 11.244 1.00 0.00 C ATOM 1670 C VAL A 109 121.613 0.724 11.299 1.00 0.00 C ATOM 1671 O VAL A 109 121.835 1.768 11.881 1.00 0.00 O ATOM 1672 CB VAL A 109 119.940 -0.770 12.458 1.00 0.00 C ATOM 1673 CG1 VAL A 109 121.017 -1.856 12.545 1.00 0.00 C ATOM 1674 CG2 VAL A 109 119.968 0.078 13.733 1.00 0.00 C ATOM 0 H VAL A 109 120.209 -1.765 10.259 1.00 0.00 H new ATOM 0 HA VAL A 109 119.509 0.969 11.206 1.00 0.00 H new ATOM 0 HB VAL A 109 118.963 -1.242 12.352 1.00 0.00 H new ATOM 0 HG11 VAL A 109 120.825 -2.491 13.410 1.00 0.00 H new ATOM 0 HG12 VAL A 109 120.997 -2.462 11.639 1.00 0.00 H new ATOM 0 HG13 VAL A 109 121.997 -1.389 12.648 1.00 0.00 H new ATOM 0 HG21 VAL A 109 119.782 -0.559 14.598 1.00 0.00 H new ATOM 0 HG22 VAL A 109 120.945 0.551 13.834 1.00 0.00 H new ATOM 0 HG23 VAL A 109 119.197 0.847 13.676 1.00 0.00 H new ATOM 1684 N ASP A 110 122.570 0.067 10.696 1.00 0.00 N ATOM 1685 CA ASP A 110 123.968 0.592 10.710 1.00 0.00 C ATOM 1686 C ASP A 110 124.032 1.948 10.004 1.00 0.00 C ATOM 1687 O ASP A 110 124.867 2.777 10.307 1.00 0.00 O ATOM 1688 CB ASP A 110 124.791 -0.446 9.946 1.00 0.00 C ATOM 1689 CG ASP A 110 125.116 -1.623 10.867 1.00 0.00 C ATOM 1690 OD1 ASP A 110 125.321 -1.388 12.047 1.00 0.00 O ATOM 1691 OD2 ASP A 110 125.157 -2.739 10.378 1.00 0.00 O ATOM 0 H ASP A 110 122.443 -0.812 10.194 1.00 0.00 H new ATOM 0 HA ASP A 110 124.340 0.743 11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 110 124.236 -0.795 9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 110 125.712 0.005 9.577 1.00 0.00 H new ATOM 1696 N LEU A 111 123.155 2.180 9.064 1.00 0.00 N ATOM 1697 CA LEU A 111 123.163 3.485 8.337 1.00 0.00 C ATOM 1698 C LEU A 111 122.987 4.637 9.330 1.00 0.00 C ATOM 1699 O LEU A 111 123.896 5.413 9.568 1.00 0.00 O ATOM 1700 CB LEU A 111 121.971 3.411 7.374 1.00 0.00 C ATOM 1701 CG LEU A 111 122.380 2.693 6.082 1.00 0.00 C ATOM 1702 CD1 LEU A 111 123.523 3.453 5.406 1.00 0.00 C ATOM 1703 CD2 LEU A 111 122.839 1.267 6.404 1.00 0.00 C ATOM 0 H LEU A 111 122.433 1.523 8.767 1.00 0.00 H new ATOM 0 HA LEU A 111 124.099 3.662 7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 111 121.144 2.882 7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 111 121.617 4.416 7.144 1.00 0.00 H new ATOM 0 HG LEU A 111 121.522 2.655 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 111 123.810 2.939 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 111 123.196 4.465 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 111 124.379 3.498 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 111 123.128 0.761 5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 111 123.692 1.304 7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 111 122.023 0.720 6.877 1.00 0.00 H new ATOM 1715 N ALA A 112 121.826 4.750 9.919 1.00 0.00 N ATOM 1716 CA ALA A 112 121.595 5.846 10.905 1.00 0.00 C ATOM 1717 C ALA A 112 122.555 5.690 12.084 1.00 0.00 C ATOM 1718 O ALA A 112 123.143 6.649 12.543 1.00 0.00 O ATOM 1719 CB ALA A 112 120.146 5.674 11.364 1.00 0.00 C ATOM 0 H ALA A 112 121.030 4.133 9.761 1.00 0.00 H new ATOM 0 HA ALA A 112 121.766 6.834 10.477 1.00 0.00 H new ATOM 0 HB1 ALA A 112 119.901 6.447 12.093 1.00 0.00 H new ATOM 0 HB2 ALA A 112 119.480 5.761 10.506 1.00 0.00 H new ATOM 0 HB3 ALA A 112 120.023 4.692 11.821 1.00 0.00 H new ATOM 1725 N GLU A 113 122.724 4.486 12.571 1.00 0.00 N ATOM 1726 CA GLU A 113 123.656 4.261 13.713 1.00 0.00 C ATOM 1727 C GLU A 113 124.994 4.939 13.421 1.00 0.00 C ATOM 1728 O GLU A 113 125.673 5.419 14.309 1.00 0.00 O ATOM 1729 CB GLU A 113 123.829 2.746 13.797 1.00 0.00 C ATOM 1730 CG GLU A 113 122.660 2.141 14.575 1.00 0.00 C ATOM 1731 CD GLU A 113 122.894 2.329 16.074 1.00 0.00 C ATOM 1732 OE1 GLU A 113 123.543 1.481 16.663 1.00 0.00 O ATOM 1733 OE2 GLU A 113 122.421 3.319 16.608 1.00 0.00 O ATOM 0 H GLU A 113 122.255 3.649 12.225 1.00 0.00 H new ATOM 0 HA GLU A 113 123.279 4.673 14.649 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.873 2.318 12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 113 124.771 2.504 14.289 1.00 0.00 H new ATOM 0 HG2 GLU A 113 121.726 2.619 14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 113 122.564 1.081 14.341 1.00 0.00 H new ATOM 1740 N GLU A 114 125.364 4.996 12.169 1.00 0.00 N ATOM 1741 CA GLU A 114 126.641 5.656 11.793 1.00 0.00 C ATOM 1742 C GLU A 114 126.534 7.155 12.073 1.00 0.00 C ATOM 1743 O GLU A 114 127.249 7.695 12.894 1.00 0.00 O ATOM 1744 CB GLU A 114 126.792 5.400 10.292 1.00 0.00 C ATOM 1745 CG GLU A 114 128.275 5.334 9.922 1.00 0.00 C ATOM 1746 CD GLU A 114 128.417 4.830 8.484 1.00 0.00 C ATOM 1747 OE1 GLU A 114 128.352 3.628 8.290 1.00 0.00 O ATOM 1748 OE2 GLU A 114 128.585 5.656 7.601 1.00 0.00 O ATOM 0 H GLU A 114 124.831 4.611 11.389 1.00 0.00 H new ATOM 0 HA GLU A 114 127.495 5.276 12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 114 126.299 4.466 10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 114 126.302 6.194 9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 114 128.730 6.320 10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 114 128.803 4.669 10.606 1.00 0.00 H new ATOM 1755 N GLN A 115 125.634 7.829 11.398 1.00 0.00 N ATOM 1756 CA GLN A 115 125.464 9.299 11.621 1.00 0.00 C ATOM 1757 C GLN A 115 124.494 9.881 10.592 1.00 0.00 C ATOM 1758 O GLN A 115 124.786 9.928 9.413 1.00 0.00 O ATOM 1759 CB GLN A 115 126.854 9.909 11.425 1.00 0.00 C ATOM 1760 CG GLN A 115 127.374 10.445 12.762 1.00 0.00 C ATOM 1761 CD GLN A 115 128.898 10.330 12.800 1.00 0.00 C ATOM 1762 OE1 GLN A 115 129.598 11.294 12.562 1.00 0.00 O ATOM 1763 NE2 GLN A 115 129.447 9.182 13.093 1.00 0.00 N ATOM 0 H GLN A 115 125.009 7.424 10.701 1.00 0.00 H new ATOM 0 HA GLN A 115 125.060 9.511 12.611 1.00 0.00 H new ATOM 0 HB2 GLN A 115 127.539 9.158 11.032 1.00 0.00 H new ATOM 0 HB3 GLN A 115 126.809 10.714 10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 115 127.074 11.485 12.890 1.00 0.00 H new ATOM 0 HG3 GLN A 115 126.936 9.883 13.586 1.00 0.00 H new ATOM 0 HE21 GLN A 115 128.860 8.372 13.293 1.00 0.00 H new ATOM 0 HE22 GLN A 115 130.463 9.095 13.122 1.00 0.00 H new ATOM 1772 N GLY A 116 123.350 10.339 11.022 1.00 0.00 N ATOM 1773 CA GLY A 116 122.382 10.928 10.055 1.00 0.00 C ATOM 1774 C GLY A 116 120.958 10.860 10.609 1.00 0.00 C ATOM 1775 O GLY A 116 120.256 11.851 10.653 1.00 0.00 O ATOM 0 H GLY A 116 123.045 10.331 11.995 1.00 0.00 H new ATOM 0 HA2 GLY A 116 122.649 11.965 9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 116 122.435 10.392 9.107 1.00 0.00 H new ATOM 1779 N HIS A 117 120.515 9.699 11.012 1.00 0.00 N ATOM 1780 CA HIS A 117 119.120 9.580 11.538 1.00 0.00 C ATOM 1781 C HIS A 117 119.084 8.665 12.764 1.00 0.00 C ATOM 1782 O HIS A 117 118.650 7.532 12.692 1.00 0.00 O ATOM 1783 CB HIS A 117 118.302 8.973 10.388 1.00 0.00 C ATOM 1784 CG HIS A 117 119.021 9.180 9.081 1.00 0.00 C ATOM 1785 ND1 HIS A 117 118.964 10.378 8.387 1.00 0.00 N ATOM 1786 CD2 HIS A 117 119.836 8.359 8.344 1.00 0.00 C ATOM 1787 CE1 HIS A 117 119.728 10.246 7.287 1.00 0.00 C ATOM 1788 NE2 HIS A 117 120.282 9.034 7.212 1.00 0.00 N ATOM 0 H HIS A 117 121.053 8.832 11.001 1.00 0.00 H new ATOM 0 HA HIS A 117 118.722 10.544 11.854 1.00 0.00 H new ATOM 0 HB2 HIS A 117 118.147 7.908 10.563 1.00 0.00 H new ATOM 0 HB3 HIS A 117 117.316 9.436 10.348 1.00 0.00 H new ATOM 0 HD2 HIS A 117 120.093 7.342 8.603 1.00 0.00 H new ATOM 0 HE1 HIS A 117 119.875 11.026 6.554 1.00 0.00 H new ATOM 0 HE2 HIS A 117 120.899 8.679 6.482 1.00 0.00 H new ATOM 1796 N ARG A 118 119.526 9.150 13.892 1.00 0.00 N ATOM 1797 CA ARG A 118 119.506 8.311 15.126 1.00 0.00 C ATOM 1798 C ARG A 118 118.063 7.922 15.472 1.00 0.00 C ATOM 1799 O ARG A 118 117.818 6.944 16.153 1.00 0.00 O ATOM 1800 CB ARG A 118 120.103 9.200 16.220 1.00 0.00 C ATOM 1801 CG ARG A 118 120.170 8.426 17.538 1.00 0.00 C ATOM 1802 CD ARG A 118 120.682 9.352 18.646 1.00 0.00 C ATOM 1803 NE ARG A 118 119.699 10.469 18.703 1.00 0.00 N ATOM 1804 CZ ARG A 118 120.096 11.700 18.528 1.00 0.00 C ATOM 1805 NH1 ARG A 118 121.005 11.972 17.631 1.00 0.00 N ATOM 1806 NH2 ARG A 118 119.585 12.661 19.249 1.00 0.00 N ATOM 0 H ARG A 118 119.900 10.091 14.013 1.00 0.00 H new ATOM 0 HA ARG A 118 120.066 7.384 15.008 1.00 0.00 H new ATOM 0 HB2 ARG A 118 121.101 9.529 15.930 1.00 0.00 H new ATOM 0 HB3 ARG A 118 119.496 10.096 16.345 1.00 0.00 H new ATOM 0 HG2 ARG A 118 119.184 8.041 17.797 1.00 0.00 H new ATOM 0 HG3 ARG A 118 120.831 7.565 17.434 1.00 0.00 H new ATOM 0 HD2 ARG A 118 120.741 8.829 19.601 1.00 0.00 H new ATOM 0 HD3 ARG A 118 121.683 9.719 18.422 1.00 0.00 H new ATOM 0 HE ARG A 118 118.714 10.272 18.879 1.00 0.00 H new ATOM 0 HH11 ARG A 118 121.405 11.222 17.067 1.00 0.00 H new ATOM 0 HH12 ARG A 118 121.315 12.934 17.495 1.00 0.00 H new ATOM 0 HH21 ARG A 118 118.875 12.450 19.950 1.00 0.00 H new ATOM 0 HH22 ARG A 118 119.896 13.623 19.111 1.00 0.00 H new ATOM 1820 N ASP A 119 117.108 8.683 15.004 1.00 0.00 N ATOM 1821 CA ASP A 119 115.679 8.364 15.302 1.00 0.00 C ATOM 1822 C ASP A 119 115.226 7.138 14.502 1.00 0.00 C ATOM 1823 O ASP A 119 114.538 6.273 15.013 1.00 0.00 O ATOM 1824 CB ASP A 119 114.890 9.608 14.878 1.00 0.00 C ATOM 1825 CG ASP A 119 115.147 9.914 13.400 1.00 0.00 C ATOM 1826 OD1 ASP A 119 116.299 10.104 13.044 1.00 0.00 O ATOM 1827 OD2 ASP A 119 114.188 9.956 12.647 1.00 0.00 O ATOM 0 H ASP A 119 117.255 9.512 14.428 1.00 0.00 H new ATOM 0 HA ASP A 119 115.525 8.127 16.355 1.00 0.00 H new ATOM 0 HB2 ASP A 119 113.825 9.447 15.044 1.00 0.00 H new ATOM 0 HB3 ASP A 119 115.183 10.461 15.491 1.00 0.00 H new ATOM 1832 N ILE A 120 115.602 7.055 13.253 1.00 0.00 N ATOM 1833 CA ILE A 120 115.186 5.883 12.429 1.00 0.00 C ATOM 1834 C ILE A 120 115.755 4.593 13.031 1.00 0.00 C ATOM 1835 O ILE A 120 115.162 3.538 12.933 1.00 0.00 O ATOM 1836 CB ILE A 120 115.754 6.156 11.026 1.00 0.00 C ATOM 1837 CG1 ILE A 120 114.853 5.494 9.976 1.00 0.00 C ATOM 1838 CG2 ILE A 120 117.176 5.597 10.898 1.00 0.00 C ATOM 1839 CD1 ILE A 120 114.499 6.512 8.888 1.00 0.00 C ATOM 0 H ILE A 120 116.177 7.745 12.770 1.00 0.00 H new ATOM 0 HA ILE A 120 114.104 5.754 12.394 1.00 0.00 H new ATOM 0 HB ILE A 120 115.786 7.234 10.866 1.00 0.00 H new ATOM 0 HG12 ILE A 120 115.361 4.637 9.535 1.00 0.00 H new ATOM 0 HG13 ILE A 120 113.944 5.119 10.446 1.00 0.00 H new ATOM 0 HG21 ILE A 120 117.559 5.801 9.898 1.00 0.00 H new ATOM 0 HG22 ILE A 120 117.821 6.071 11.637 1.00 0.00 H new ATOM 0 HG23 ILE A 120 117.160 4.520 11.068 1.00 0.00 H new ATOM 0 HD11 ILE A 120 113.859 6.040 8.143 1.00 0.00 H new ATOM 0 HD12 ILE A 120 113.974 7.355 9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 120 115.412 6.866 8.410 1.00 0.00 H new ATOM 1851 N ALA A 121 116.895 4.677 13.662 1.00 0.00 N ATOM 1852 CA ALA A 121 117.495 3.460 14.278 1.00 0.00 C ATOM 1853 C ALA A 121 116.597 2.961 15.410 1.00 0.00 C ATOM 1854 O ALA A 121 116.215 1.810 15.449 1.00 0.00 O ATOM 1855 CB ALA A 121 118.851 3.910 14.825 1.00 0.00 C ATOM 0 H ALA A 121 117.436 5.534 13.777 1.00 0.00 H new ATOM 0 HA ALA A 121 117.603 2.643 13.565 1.00 0.00 H new ATOM 0 HB1 ALA A 121 119.353 3.064 15.295 1.00 0.00 H new ATOM 0 HB2 ALA A 121 119.465 4.288 14.008 1.00 0.00 H new ATOM 0 HB3 ALA A 121 118.702 4.699 15.562 1.00 0.00 H new ATOM 1861 N ARG A 122 116.253 3.823 16.333 1.00 0.00 N ATOM 1862 CA ARG A 122 115.374 3.406 17.470 1.00 0.00 C ATOM 1863 C ARG A 122 114.185 2.584 16.961 1.00 0.00 C ATOM 1864 O ARG A 122 113.853 1.548 17.506 1.00 0.00 O ATOM 1865 CB ARG A 122 114.887 4.714 18.092 1.00 0.00 C ATOM 1866 CG ARG A 122 116.073 5.472 18.687 1.00 0.00 C ATOM 1867 CD ARG A 122 115.621 6.228 19.938 1.00 0.00 C ATOM 1868 NE ARG A 122 115.324 7.609 19.465 1.00 0.00 N ATOM 1869 CZ ARG A 122 115.720 8.637 20.166 1.00 0.00 C ATOM 1870 NH1 ARG A 122 115.575 8.636 21.462 1.00 0.00 N ATOM 1871 NH2 ARG A 122 116.258 9.664 19.569 1.00 0.00 N ATOM 0 H ARG A 122 116.543 4.801 16.349 1.00 0.00 H new ATOM 0 HA ARG A 122 115.905 2.780 18.187 1.00 0.00 H new ATOM 0 HB2 ARG A 122 114.393 5.326 17.337 1.00 0.00 H new ATOM 0 HB3 ARG A 122 114.149 4.507 18.867 1.00 0.00 H new ATOM 0 HG2 ARG A 122 116.873 4.776 18.939 1.00 0.00 H new ATOM 0 HG3 ARG A 122 116.477 6.170 17.954 1.00 0.00 H new ATOM 0 HD2 ARG A 122 114.740 5.765 20.383 1.00 0.00 H new ATOM 0 HD3 ARG A 122 116.399 6.231 20.701 1.00 0.00 H new ATOM 0 HE ARG A 122 114.812 7.751 18.594 1.00 0.00 H new ATOM 0 HH11 ARG A 122 115.153 7.833 21.927 1.00 0.00 H new ATOM 0 HH12 ARG A 122 115.884 9.439 22.010 1.00 0.00 H new ATOM 0 HH21 ARG A 122 116.369 9.664 18.555 1.00 0.00 H new ATOM 0 HH22 ARG A 122 116.568 10.467 20.116 1.00 0.00 H new ATOM 1885 N TYR A 123 113.539 3.043 15.923 1.00 0.00 N ATOM 1886 CA TYR A 123 112.366 2.298 15.379 1.00 0.00 C ATOM 1887 C TYR A 123 112.817 1.151 14.465 1.00 0.00 C ATOM 1888 O TYR A 123 112.459 0.005 14.672 1.00 0.00 O ATOM 1889 CB TYR A 123 111.577 3.339 14.583 1.00 0.00 C ATOM 1890 CG TYR A 123 110.354 2.695 13.972 1.00 0.00 C ATOM 1891 CD1 TYR A 123 109.237 2.416 14.768 1.00 0.00 C ATOM 1892 CD2 TYR A 123 110.338 2.379 12.609 1.00 0.00 C ATOM 1893 CE1 TYR A 123 108.105 1.820 14.201 1.00 0.00 C ATOM 1894 CE2 TYR A 123 109.206 1.783 12.040 1.00 0.00 C ATOM 1895 CZ TYR A 123 108.089 1.504 12.837 1.00 0.00 C ATOM 1896 OH TYR A 123 106.973 0.916 12.277 1.00 0.00 O ATOM 0 H TYR A 123 113.773 3.903 15.427 1.00 0.00 H new ATOM 0 HA TYR A 123 111.771 1.842 16.171 1.00 0.00 H new ATOM 0 HB2 TYR A 123 111.280 4.160 15.235 1.00 0.00 H new ATOM 0 HB3 TYR A 123 112.205 3.765 13.800 1.00 0.00 H new ATOM 0 HD1 TYR A 123 109.249 2.661 15.820 1.00 0.00 H new ATOM 0 HD2 TYR A 123 111.200 2.595 11.995 1.00 0.00 H new ATOM 0 HE1 TYR A 123 107.244 1.604 14.816 1.00 0.00 H new ATOM 0 HE2 TYR A 123 109.194 1.539 10.988 1.00 0.00 H new ATOM 0 HH TYR A 123 106.172 1.205 12.763 1.00 0.00 H new ATOM 1906 N LEU A 124 113.577 1.446 13.442 1.00 0.00 N ATOM 1907 CA LEU A 124 114.016 0.366 12.511 1.00 0.00 C ATOM 1908 C LEU A 124 114.820 -0.713 13.253 1.00 0.00 C ATOM 1909 O LEU A 124 114.661 -1.888 12.987 1.00 0.00 O ATOM 1910 CB LEU A 124 114.838 1.074 11.411 1.00 0.00 C ATOM 1911 CG LEU A 124 116.348 0.980 11.676 1.00 0.00 C ATOM 1912 CD1 LEU A 124 116.866 -0.393 11.232 1.00 0.00 C ATOM 1913 CD2 LEU A 124 117.071 2.074 10.878 1.00 0.00 C ATOM 0 H LEU A 124 113.910 2.382 13.213 1.00 0.00 H new ATOM 0 HA LEU A 124 113.172 -0.166 12.073 1.00 0.00 H new ATOM 0 HB2 LEU A 124 114.611 0.627 10.443 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.544 2.122 11.355 1.00 0.00 H new ATOM 0 HG LEU A 124 116.537 1.112 12.741 1.00 0.00 H new ATOM 0 HD11 LEU A 124 117.938 -0.456 11.421 1.00 0.00 H new ATOM 0 HD12 LEU A 124 116.352 -1.174 11.792 1.00 0.00 H new ATOM 0 HD13 LEU A 124 116.677 -0.526 10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 124 118.143 2.011 11.063 1.00 0.00 H new ATOM 0 HD22 LEU A 124 116.878 1.936 9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 124 116.706 3.053 11.189 1.00 0.00 H new ATOM 1925 N HIS A 125 115.670 -0.345 14.180 1.00 0.00 N ATOM 1926 CA HIS A 125 116.451 -1.392 14.905 1.00 0.00 C ATOM 1927 C HIS A 125 115.505 -2.221 15.778 1.00 0.00 C ATOM 1928 O HIS A 125 115.631 -3.426 15.869 1.00 0.00 O ATOM 1929 CB HIS A 125 117.518 -0.642 15.733 1.00 0.00 C ATOM 1930 CG HIS A 125 117.098 -0.483 17.177 1.00 0.00 C ATOM 1931 ND1 HIS A 125 116.984 0.760 17.777 1.00 0.00 N ATOM 1932 CD2 HIS A 125 116.792 -1.398 18.156 1.00 0.00 C ATOM 1933 CE1 HIS A 125 116.621 0.563 19.059 1.00 0.00 C ATOM 1934 NE2 HIS A 125 116.491 -0.735 19.342 1.00 0.00 N ATOM 0 H HIS A 125 115.854 0.618 14.462 1.00 0.00 H new ATOM 0 HA HIS A 125 116.941 -2.094 14.230 1.00 0.00 H new ATOM 0 HB2 HIS A 125 118.462 -1.185 15.687 1.00 0.00 H new ATOM 0 HB3 HIS A 125 117.694 0.341 15.295 1.00 0.00 H new ATOM 0 HD2 HIS A 125 116.786 -2.470 18.025 1.00 0.00 H new ATOM 0 HE1 HIS A 125 116.455 1.358 19.771 1.00 0.00 H new ATOM 0 HE2 HIS A 125 116.228 -1.151 20.235 1.00 0.00 H new ATOM 1942 N ALA A 126 114.550 -1.586 16.407 1.00 0.00 N ATOM 1943 CA ALA A 126 113.587 -2.348 17.257 1.00 0.00 C ATOM 1944 C ALA A 126 112.951 -3.470 16.431 1.00 0.00 C ATOM 1945 O ALA A 126 112.558 -4.495 16.952 1.00 0.00 O ATOM 1946 CB ALA A 126 112.531 -1.326 17.682 1.00 0.00 C ATOM 0 H ALA A 126 114.396 -0.578 16.369 1.00 0.00 H new ATOM 0 HA ALA A 126 114.066 -2.811 18.120 1.00 0.00 H new ATOM 0 HB1 ALA A 126 111.786 -1.813 18.311 1.00 0.00 H new ATOM 0 HB2 ALA A 126 113.008 -0.521 18.241 1.00 0.00 H new ATOM 0 HB3 ALA A 126 112.045 -0.915 16.797 1.00 0.00 H new ATOM 1952 N ALA A 127 112.856 -3.277 15.141 1.00 0.00 N ATOM 1953 CA ALA A 127 112.256 -4.325 14.266 1.00 0.00 C ATOM 1954 C ALA A 127 113.342 -5.278 13.751 1.00 0.00 C ATOM 1955 O ALA A 127 113.052 -6.364 13.287 1.00 0.00 O ATOM 1956 CB ALA A 127 111.625 -3.554 13.107 1.00 0.00 C ATOM 0 H ALA A 127 113.169 -2.436 14.656 1.00 0.00 H new ATOM 0 HA ALA A 127 111.527 -4.938 14.796 1.00 0.00 H new ATOM 0 HB1 ALA A 127 111.160 -4.255 12.414 1.00 0.00 H new ATOM 0 HB2 ALA A 127 110.869 -2.870 13.494 1.00 0.00 H new ATOM 0 HB3 ALA A 127 112.395 -2.986 12.586 1.00 0.00 H new ATOM 1962 N THR A 128 114.589 -4.887 13.834 1.00 0.00 N ATOM 1963 CA THR A 128 115.687 -5.779 13.354 1.00 0.00 C ATOM 1964 C THR A 128 116.300 -6.527 14.540 1.00 0.00 C ATOM 1965 O THR A 128 117.449 -6.920 14.509 1.00 0.00 O ATOM 1966 CB THR A 128 116.734 -4.856 12.716 1.00 0.00 C ATOM 1967 OG1 THR A 128 117.383 -4.109 13.733 1.00 0.00 O ATOM 1968 CG2 THR A 128 116.067 -3.898 11.723 1.00 0.00 C ATOM 0 H THR A 128 114.893 -3.990 14.213 1.00 0.00 H new ATOM 0 HA THR A 128 115.324 -6.521 12.643 1.00 0.00 H new ATOM 0 HB THR A 128 117.463 -5.464 12.181 1.00 0.00 H new ATOM 0 HG1 THR A 128 116.780 -4.007 14.499 1.00 0.00 H new ATOM 0 HG21 THR A 128 116.823 -3.250 11.279 1.00 0.00 H new ATOM 0 HG22 THR A 128 115.575 -4.472 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 128 115.328 -3.289 12.245 1.00 0.00 H new