USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 606 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 Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -7.59! C(o=-7.6!,f=-8.4!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -8.76! C(o=-8.8!,f=-11!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -8.23! C(o=-8.2!,f=-9.8!) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -7.68! C(o=-7.7!,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -12.851 5.012 0.975 1.00 0.00 N ATOM 108 CA VAL A 27 -12.041 5.375 2.128 1.00 0.00 C ATOM 109 C VAL A 27 -11.928 4.199 3.095 1.00 0.00 C ATOM 110 O VAL A 27 -10.839 3.869 3.566 1.00 0.00 O ATOM 111 CB VAL A 27 -12.667 6.574 2.847 1.00 0.00 C ATOM 112 CG1 VAL A 27 -11.883 6.872 4.126 1.00 0.00 C ATOM 113 CG2 VAL A 27 -12.629 7.798 1.927 1.00 0.00 C ATOM 0 HA VAL A 27 -11.043 5.640 1.780 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.701 6.343 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.330 7.725 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.912 6.002 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.848 7.102 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.074 8.651 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.595 8.028 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.191 7.587 1.017 1.00 0.00 H new ATOM 123 N VAL A 28 -13.062 3.570 3.385 1.00 0.00 N ATOM 124 CA VAL A 28 -13.082 2.434 4.296 1.00 0.00 C ATOM 125 C VAL A 28 -12.285 1.271 3.714 1.00 0.00 C ATOM 126 O VAL A 28 -11.505 0.628 4.417 1.00 0.00 O ATOM 127 CB VAL A 28 -14.524 1.992 4.554 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.526 0.727 5.415 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.275 3.106 5.283 1.00 0.00 C ATOM 0 H VAL A 28 -13.973 3.826 3.005 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.626 2.739 5.238 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.015 1.784 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.554 0.413 5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.991 -0.068 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.035 0.933 6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.302 2.792 5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.783 3.315 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.275 4.007 4.669 1.00 0.00 H new ATOM 139 N ALA A 29 -12.487 1.006 2.428 1.00 0.00 N ATOM 140 CA ALA A 29 -11.784 -0.082 1.765 1.00 0.00 C ATOM 141 C ALA A 29 -10.279 0.147 1.812 1.00 0.00 C ATOM 142 O ALA A 29 -9.507 -0.781 2.035 1.00 0.00 O ATOM 143 CB ALA A 29 -12.241 -0.190 0.310 1.00 0.00 C ATOM 0 H ALA A 29 -13.128 1.527 1.829 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.015 -1.010 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.710 -1.007 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.313 -0.384 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.026 0.744 -0.209 1.00 0.00 H new ATOM 149 N ALA A 30 -9.866 1.391 1.605 1.00 0.00 N ATOM 150 CA ALA A 30 -8.447 1.724 1.626 1.00 0.00 C ATOM 151 C ALA A 30 -7.808 1.281 2.938 1.00 0.00 C ATOM 152 O ALA A 30 -6.763 0.631 2.942 1.00 0.00 O ATOM 153 CB ALA A 30 -8.266 3.232 1.456 1.00 0.00 C ATOM 0 H ALA A 30 -10.487 2.180 1.422 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.959 1.200 0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.204 3.475 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.695 3.545 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.770 3.753 2.270 1.00 0.00 H new ATOM 159 N SER A 31 -8.444 1.636 4.047 1.00 0.00 N ATOM 160 CA SER A 31 -7.927 1.264 5.361 1.00 0.00 C ATOM 161 C SER A 31 -7.881 -0.252 5.515 1.00 0.00 C ATOM 162 O SER A 31 -6.915 -0.802 6.038 1.00 0.00 O ATOM 163 CB SER A 31 -8.809 1.861 6.456 1.00 0.00 C ATOM 164 OG SER A 31 -8.813 3.276 6.336 1.00 0.00 O ATOM 0 H SER A 31 -9.310 2.175 4.066 1.00 0.00 H new ATOM 0 HA SER A 31 -6.914 1.656 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.825 1.475 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.437 1.569 7.438 1.00 0.00 H new ATOM 0 HG SER A 31 -9.380 3.662 7.036 1.00 0.00 H new ATOM 170 N ILE A 32 -8.933 -0.921 5.057 1.00 0.00 N ATOM 171 CA ILE A 32 -9.008 -2.375 5.152 1.00 0.00 C ATOM 172 C ILE A 32 -7.900 -3.027 4.333 1.00 0.00 C ATOM 173 O ILE A 32 -7.279 -3.992 4.773 1.00 0.00 O ATOM 174 CB ILE A 32 -10.372 -2.868 4.659 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.461 -2.396 5.624 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.375 -4.400 4.599 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.839 -2.664 5.014 1.00 0.00 C ATOM 0 H ILE A 32 -9.743 -0.483 4.618 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.881 -2.654 6.198 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.564 -2.466 3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.367 -2.916 6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.343 -1.332 5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.346 -4.748 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.598 -4.739 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.182 -4.803 5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.614 -2.327 5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.931 -2.124 4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.955 -3.732 4.832 1.00 0.00 H new ATOM 189 N ILE A 33 -7.664 -2.500 3.140 1.00 0.00 N ATOM 190 CA ILE A 33 -6.632 -3.050 2.271 1.00 0.00 C ATOM 191 C ILE A 33 -5.267 -2.977 2.948 1.00 0.00 C ATOM 192 O ILE A 33 -4.481 -3.920 2.878 1.00 0.00 O ATOM 193 CB ILE A 33 -6.594 -2.273 0.946 1.00 0.00 C ATOM 194 CG1 ILE A 33 -7.847 -2.597 0.126 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.342 -2.655 0.144 1.00 0.00 C ATOM 196 CD1 ILE A 33 -7.960 -1.607 -1.036 1.00 0.00 C ATOM 0 H ILE A 33 -8.167 -1.701 2.754 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.869 -4.095 2.071 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.564 -1.205 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.793 -3.617 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.734 -2.538 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.326 -2.098 -0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.451 -2.415 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.359 -3.724 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.850 -1.834 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.033 -0.593 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.077 -1.688 -1.671 1.00 0.00 H new ATOM 208 N GLY A 34 -4.986 -1.854 3.593 1.00 0.00 N ATOM 209 CA GLY A 34 -3.704 -1.685 4.264 1.00 0.00 C ATOM 210 C GLY A 34 -3.506 -2.738 5.351 1.00 0.00 C ATOM 211 O GLY A 34 -2.498 -3.443 5.367 1.00 0.00 O ATOM 0 H GLY A 34 -5.618 -1.056 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.897 -1.755 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.650 -0.689 4.704 1.00 0.00 H new ATOM 215 N ILE A 35 -4.471 -2.836 6.259 1.00 0.00 N ATOM 216 CA ILE A 35 -4.383 -3.806 7.346 1.00 0.00 C ATOM 217 C ILE A 35 -4.486 -5.225 6.811 1.00 0.00 C ATOM 218 O ILE A 35 -3.729 -6.102 7.215 1.00 0.00 O ATOM 219 CB ILE A 35 -5.508 -3.558 8.355 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.502 -2.086 8.781 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.302 -4.445 9.586 1.00 0.00 C ATOM 222 CD1 ILE A 35 -4.120 -1.677 9.302 1.00 0.00 C ATOM 0 H ILE A 35 -5.315 -2.263 6.266 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.417 -3.686 7.836 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.465 -3.798 7.891 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.778 -1.457 7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.251 -1.924 9.556 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.104 -4.266 10.302 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.311 -5.493 9.285 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.344 -4.209 10.048 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.139 -0.628 9.599 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.859 -2.293 10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.378 -1.818 8.516 1.00 0.00 H new ATOM 234 N LEU A 36 -5.431 -5.448 5.914 1.00 0.00 N ATOM 235 CA LEU A 36 -5.625 -6.777 5.353 1.00 0.00 C ATOM 236 C LEU A 36 -4.380 -7.238 4.600 1.00 0.00 C ATOM 237 O LEU A 36 -3.934 -8.379 4.750 1.00 0.00 O ATOM 238 CB LEU A 36 -6.826 -6.767 4.398 1.00 0.00 C ATOM 239 CG LEU A 36 -7.042 -8.170 3.805 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.292 -9.188 4.934 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.247 -8.139 2.858 1.00 0.00 C ATOM 0 H LEU A 36 -6.070 -4.736 5.561 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.812 -7.470 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.721 -6.447 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.658 -6.047 3.597 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.151 -8.469 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.444 -10.178 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.430 -9.210 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.179 -8.897 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.403 -9.132 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.136 -7.835 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.059 -7.428 2.054 1.00 0.00 H new ATOM 253 N HIS A 37 -3.827 -6.346 3.788 1.00 0.00 N ATOM 254 CA HIS A 37 -2.640 -6.667 3.011 1.00 0.00 C ATOM 255 C HIS A 37 -1.457 -6.926 3.930 1.00 0.00 C ATOM 256 O HIS A 37 -0.662 -7.834 3.693 1.00 0.00 O ATOM 257 CB HIS A 37 -2.311 -5.519 2.059 1.00 0.00 C ATOM 258 CG HIS A 37 -1.090 -5.873 1.255 1.00 0.00 C ATOM 259 ND1 HIS A 37 -1.122 -6.009 -0.120 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.204 -6.131 1.624 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.117 -6.335 -0.525 1.00 0.00 C ATOM 262 NE2 HIS A 37 0.966 -6.419 0.498 1.00 0.00 N ATOM 0 H HIS A 37 -4.181 -5.399 3.652 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.840 -7.569 2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.155 -5.329 1.395 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.136 -4.603 2.623 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.576 -6.113 2.638 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.391 -6.508 -1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.960 -6.646 0.463 1.00 0.00 H new ATOM 270 N LEU A 38 -1.339 -6.116 4.973 1.00 0.00 N ATOM 271 CA LEU A 38 -0.240 -6.262 5.916 1.00 0.00 C ATOM 272 C LEU A 38 -0.281 -7.618 6.600 1.00 0.00 C ATOM 273 O LEU A 38 0.749 -8.249 6.785 1.00 0.00 O ATOM 274 CB LEU A 38 -0.296 -5.143 6.971 1.00 0.00 C ATOM 275 CG LEU A 38 0.460 -3.898 6.481 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.164 -2.712 7.416 1.00 0.00 C ATOM 277 CD2 LEU A 38 1.983 -4.177 6.446 1.00 0.00 C ATOM 0 H LEU A 38 -1.986 -5.357 5.186 1.00 0.00 H new ATOM 0 HA LEU A 38 0.694 -6.188 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.334 -4.885 7.181 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.140 -5.495 7.906 1.00 0.00 H new ATOM 0 HG LEU A 38 0.126 -3.653 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.701 -1.830 7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.907 -2.508 7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.488 -2.957 8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.508 -3.288 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.329 -4.433 7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.185 -5.007 5.769 1.00 0.00 H new ATOM 289 N ILE A 39 -1.462 -8.060 6.975 1.00 0.00 N ATOM 290 CA ILE A 39 -1.580 -9.342 7.642 1.00 0.00 C ATOM 291 C ILE A 39 -1.028 -10.457 6.758 1.00 0.00 C ATOM 292 O ILE A 39 -0.244 -11.292 7.213 1.00 0.00 O ATOM 293 CB ILE A 39 -3.055 -9.610 7.958 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.522 -8.668 9.071 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.248 -11.062 8.405 1.00 0.00 C ATOM 296 CD1 ILE A 39 -5.047 -8.721 9.182 1.00 0.00 C ATOM 0 H ILE A 39 -2.341 -7.562 6.834 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.003 -9.318 8.567 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.644 -9.435 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.068 -8.956 10.019 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.198 -7.649 8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.301 -11.238 8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.927 -11.734 7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.653 -11.250 9.299 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.378 -8.050 9.975 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.492 -8.412 8.236 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.360 -9.739 9.414 1.00 0.00 H new ATOM 308 N LEU A 40 -1.440 -10.469 5.499 1.00 0.00 N ATOM 309 CA LEU A 40 -0.977 -11.492 4.572 1.00 0.00 C ATOM 310 C LEU A 40 0.488 -11.284 4.213 1.00 0.00 C ATOM 311 O LEU A 40 1.267 -12.236 4.155 1.00 0.00 O ATOM 312 CB LEU A 40 -1.829 -11.458 3.303 1.00 0.00 C ATOM 313 CG LEU A 40 -3.276 -11.855 3.644 1.00 0.00 C ATOM 314 CD1 LEU A 40 -4.177 -11.560 2.441 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.361 -13.354 4.002 1.00 0.00 C ATOM 0 H LEU A 40 -2.087 -9.790 5.098 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.075 -12.464 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.808 -10.460 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.419 -12.141 2.559 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.606 -11.276 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.203 -11.840 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.136 -10.496 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.834 -12.134 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.393 -13.613 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.023 -13.950 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.727 -13.558 4.865 1.00 0.00 H new ATOM 327 N TRP A 41 0.851 -10.034 3.970 1.00 0.00 N ATOM 328 CA TRP A 41 2.220 -9.702 3.611 1.00 0.00 C ATOM 329 C TRP A 41 3.166 -9.955 4.775 1.00 0.00 C ATOM 330 O TRP A 41 4.311 -10.360 4.583 1.00 0.00 O ATOM 331 CB TRP A 41 2.310 -8.248 3.136 1.00 0.00 C ATOM 332 CG TRP A 41 3.746 -7.870 2.949 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.494 -8.161 1.860 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.596 -7.076 3.824 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.767 -7.658 2.047 1.00 0.00 N ATOM 336 CE2 TRP A 41 5.871 -6.967 3.233 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.390 -6.461 5.068 1.00 0.00 C ATOM 338 CZ2 TRP A 41 6.905 -6.277 3.853 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.429 -5.751 5.690 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.683 -5.663 5.082 1.00 0.00 C ATOM 0 H TRP A 41 0.218 -9.235 4.015 1.00 0.00 H new ATOM 0 HA TRP A 41 2.525 -10.350 2.790 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.766 -8.126 2.199 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.841 -7.587 3.865 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.152 -8.698 0.988 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.535 -7.783 1.388 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.426 -6.534 5.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.876 -6.217 3.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.258 -5.271 6.642 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.481 -5.118 5.566 1.00 0.00 H new ATOM 351 N ILE A 42 2.682 -9.705 5.978 1.00 0.00 N ATOM 352 CA ILE A 42 3.497 -9.901 7.164 1.00 0.00 C ATOM 353 C ILE A 42 3.867 -11.368 7.299 1.00 0.00 C ATOM 354 O ILE A 42 5.006 -11.702 7.622 1.00 0.00 O ATOM 355 CB ILE A 42 2.729 -9.425 8.416 1.00 0.00 C ATOM 356 CG1 ILE A 42 2.810 -7.885 8.531 1.00 0.00 C ATOM 357 CG2 ILE A 42 3.316 -10.073 9.686 1.00 0.00 C ATOM 358 CD1 ILE A 42 4.096 -7.464 9.259 1.00 0.00 C ATOM 0 H ILE A 42 1.736 -9.368 6.160 1.00 0.00 H new ATOM 0 HA ILE A 42 4.411 -9.315 7.071 1.00 0.00 H new ATOM 0 HB ILE A 42 1.686 -9.725 8.318 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.786 -7.439 7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.941 -7.509 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.764 -9.727 10.560 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.235 -11.157 9.612 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.365 -9.793 9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.135 -6.377 9.330 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.104 -7.894 10.261 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.963 -7.822 8.703 1.00 0.00 H new ATOM 370 N LEU A 43 2.897 -12.237 7.083 1.00 0.00 N ATOM 371 CA LEU A 43 3.140 -13.658 7.221 1.00 0.00 C ATOM 372 C LEU A 43 4.199 -14.113 6.221 1.00 0.00 C ATOM 373 O LEU A 43 5.094 -14.890 6.551 1.00 0.00 O ATOM 374 CB LEU A 43 1.830 -14.438 6.999 1.00 0.00 C ATOM 375 CG LEU A 43 1.816 -15.711 7.865 1.00 0.00 C ATOM 376 CD1 LEU A 43 3.076 -16.549 7.576 1.00 0.00 C ATOM 377 CD2 LEU A 43 1.761 -15.330 9.372 1.00 0.00 C ATOM 0 H LEU A 43 1.945 -11.987 6.815 1.00 0.00 H new ATOM 0 HA LEU A 43 3.505 -13.857 8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.976 -13.809 7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.730 -14.704 5.947 1.00 0.00 H new ATOM 0 HG LEU A 43 0.932 -16.300 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.063 -17.449 8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.093 -16.829 6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.965 -15.963 7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.751 -16.237 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.636 -14.732 9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.857 -14.753 9.569 1.00 0.00 H new ATOM 389 N ASP A 44 4.089 -13.628 4.999 1.00 0.00 N ATOM 390 CA ASP A 44 5.039 -14.001 3.962 1.00 0.00 C ATOM 391 C ASP A 44 6.445 -13.548 4.334 1.00 0.00 C ATOM 392 O ASP A 44 7.421 -14.261 4.099 1.00 0.00 O ATOM 393 CB ASP A 44 4.628 -13.370 2.633 1.00 0.00 C ATOM 394 CG ASP A 44 5.630 -13.741 1.545 1.00 0.00 C ATOM 395 OD1 ASP A 44 6.619 -14.380 1.868 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.398 -13.376 0.405 1.00 0.00 O ATOM 0 H ASP A 44 3.360 -12.981 4.699 1.00 0.00 H new ATOM 0 HA ASP A 44 5.038 -15.087 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.632 -13.711 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.576 -12.286 2.737 1.00 0.00 H new ATOM 630 N VAL B 28 -9.749 8.257 -6.154 1.00 0.00 N ATOM 631 CA VAL B 28 -10.122 7.125 -6.993 1.00 0.00 C ATOM 632 C VAL B 28 -8.893 6.291 -7.340 1.00 0.00 C ATOM 633 O VAL B 28 -8.927 5.062 -7.277 1.00 0.00 O ATOM 634 CB VAL B 28 -10.786 7.622 -8.278 1.00 0.00 C ATOM 635 CG1 VAL B 28 -11.063 6.435 -9.205 1.00 0.00 C ATOM 636 CG2 VAL B 28 -12.105 8.317 -7.934 1.00 0.00 C ATOM 0 HA VAL B 28 -10.826 6.502 -6.441 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.122 8.326 -8.779 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.536 6.791 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.124 5.939 -9.451 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.726 5.729 -8.704 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.579 8.672 -8.849 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.768 7.612 -7.432 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -11.909 9.163 -7.275 1.00 0.00 H new ATOM 646 N ALA B 29 -7.809 6.968 -7.704 1.00 0.00 N ATOM 647 CA ALA B 29 -6.577 6.279 -8.060 1.00 0.00 C ATOM 648 C ALA B 29 -6.067 5.457 -6.884 1.00 0.00 C ATOM 649 O ALA B 29 -5.608 4.330 -7.056 1.00 0.00 O ATOM 650 CB ALA B 29 -5.511 7.295 -8.476 1.00 0.00 C ATOM 0 H ALA B 29 -7.759 7.985 -7.760 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.785 5.610 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.593 6.771 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.866 7.863 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.314 7.976 -7.648 1.00 0.00 H new ATOM 656 N ALA B 30 -6.153 6.024 -5.687 1.00 0.00 N ATOM 657 CA ALA B 30 -5.694 5.328 -4.492 1.00 0.00 C ATOM 658 C ALA B 30 -6.368 3.967 -4.370 1.00 0.00 C ATOM 659 O ALA B 30 -5.707 2.953 -4.157 1.00 0.00 O ATOM 660 CB ALA B 30 -6.004 6.166 -3.251 1.00 0.00 C ATOM 0 H ALA B 30 -6.533 6.956 -5.519 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.617 5.179 -4.572 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.658 5.640 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.496 7.127 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -7.080 6.329 -3.181 1.00 0.00 H new ATOM 666 N SER B 31 -7.690 3.953 -4.505 1.00 0.00 N ATOM 667 CA SER B 31 -8.442 2.708 -4.411 1.00 0.00 C ATOM 668 C SER B 31 -8.019 1.734 -5.507 1.00 0.00 C ATOM 669 O SER B 31 -7.858 0.542 -5.260 1.00 0.00 O ATOM 670 CB SER B 31 -9.937 2.991 -4.535 1.00 0.00 C ATOM 671 OG SER B 31 -10.342 3.848 -3.474 1.00 0.00 O ATOM 0 H SER B 31 -8.258 4.782 -4.678 1.00 0.00 H new ATOM 0 HA SER B 31 -8.233 2.257 -3.441 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.152 3.457 -5.497 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.500 2.058 -4.500 1.00 0.00 H new ATOM 0 HG SER B 31 -11.301 4.033 -3.551 1.00 0.00 H new ATOM 677 N ILE B 32 -7.843 2.252 -6.716 1.00 0.00 N ATOM 678 CA ILE B 32 -7.445 1.420 -7.847 1.00 0.00 C ATOM 679 C ILE B 32 -6.067 0.816 -7.611 1.00 0.00 C ATOM 680 O ILE B 32 -5.838 -0.355 -7.905 1.00 0.00 O ATOM 681 CB ILE B 32 -7.431 2.251 -9.133 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.863 2.662 -9.486 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.847 1.416 -10.279 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.836 3.699 -10.612 1.00 0.00 C ATOM 0 H ILE B 32 -7.969 3.239 -6.939 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.169 0.611 -7.949 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.819 3.140 -8.983 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.437 1.789 -9.796 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.360 3.076 -8.609 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.838 2.009 -11.193 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.829 1.118 -10.030 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -7.459 0.527 -10.430 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.856 3.991 -10.862 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.277 4.576 -10.285 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.355 3.269 -11.491 1.00 0.00 H new ATOM 696 N ILE B 33 -5.153 1.620 -7.089 1.00 0.00 N ATOM 697 CA ILE B 33 -3.802 1.145 -6.828 1.00 0.00 C ATOM 698 C ILE B 33 -3.823 -0.021 -5.847 1.00 0.00 C ATOM 699 O ILE B 33 -3.108 -1.006 -6.029 1.00 0.00 O ATOM 700 CB ILE B 33 -2.949 2.286 -6.252 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.676 3.325 -7.344 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.617 1.734 -5.719 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.108 4.593 -6.705 1.00 0.00 C ATOM 0 H ILE B 33 -5.319 2.595 -6.840 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.369 0.805 -7.768 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.491 2.755 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.972 2.925 -8.074 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.596 3.555 -7.881 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -1.021 2.551 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.814 1.004 -4.934 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -1.071 1.255 -6.531 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.913 5.335 -7.480 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.828 4.995 -5.991 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.178 4.355 -6.188 1.00 0.00 H new ATOM 715 N GLY B 34 -4.635 0.095 -4.806 1.00 0.00 N ATOM 716 CA GLY B 34 -4.718 -0.960 -3.809 1.00 0.00 C ATOM 717 C GLY B 34 -5.176 -2.274 -4.434 1.00 0.00 C ATOM 718 O GLY B 34 -4.525 -3.306 -4.277 1.00 0.00 O ATOM 0 H GLY B 34 -5.238 0.899 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.744 -1.098 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -5.413 -0.667 -3.022 1.00 0.00 H new ATOM 722 N ILE B 35 -6.301 -2.231 -5.141 1.00 0.00 N ATOM 723 CA ILE B 35 -6.834 -3.430 -5.780 1.00 0.00 C ATOM 724 C ILE B 35 -5.930 -3.885 -6.914 1.00 0.00 C ATOM 725 O ILE B 35 -5.643 -5.070 -7.054 1.00 0.00 O ATOM 726 CB ILE B 35 -8.235 -3.151 -6.324 1.00 0.00 C ATOM 727 CG1 ILE B 35 -9.108 -2.554 -5.214 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.867 -4.453 -6.823 1.00 0.00 C ATOM 729 CD1 ILE B 35 -9.110 -3.461 -3.979 1.00 0.00 C ATOM 0 H ILE B 35 -6.857 -1.388 -5.285 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.883 -4.222 -5.033 1.00 0.00 H new ATOM 0 HB ILE B 35 -8.163 -2.445 -7.151 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.736 -1.565 -4.945 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -10.127 -2.423 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.865 -4.248 -7.210 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.251 -4.876 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.936 -5.163 -5.999 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -9.735 -3.019 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.504 -4.441 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.092 -3.570 -3.606 1.00 0.00 H new ATOM 741 N LEU B 36 -5.493 -2.938 -7.731 1.00 0.00 N ATOM 742 CA LEU B 36 -4.638 -3.268 -8.861 1.00 0.00 C ATOM 743 C LEU B 36 -3.324 -3.884 -8.390 1.00 0.00 C ATOM 744 O LEU B 36 -2.860 -4.887 -8.938 1.00 0.00 O ATOM 745 CB LEU B 36 -4.344 -2.002 -9.678 1.00 0.00 C ATOM 746 CG LEU B 36 -3.449 -2.344 -10.881 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.145 -3.381 -11.781 1.00 0.00 C ATOM 748 CD2 LEU B 36 -3.168 -1.069 -11.681 1.00 0.00 C ATOM 0 H LEU B 36 -5.713 -1.947 -7.635 1.00 0.00 H new ATOM 0 HA LEU B 36 -5.160 -3.996 -9.482 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.278 -1.558 -10.024 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.853 -1.260 -9.049 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.510 -2.765 -10.522 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.503 -3.616 -12.630 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.337 -4.289 -11.209 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.089 -2.974 -12.143 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.534 -1.308 -12.535 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.109 -0.647 -12.035 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.661 -0.344 -11.044 1.00 0.00 H new ATOM 760 N HIS B 37 -2.728 -3.274 -7.374 1.00 0.00 N ATOM 761 CA HIS B 37 -1.467 -3.761 -6.836 1.00 0.00 C ATOM 762 C HIS B 37 -1.649 -5.141 -6.222 1.00 0.00 C ATOM 763 O HIS B 37 -0.797 -6.013 -6.370 1.00 0.00 O ATOM 764 CB HIS B 37 -0.937 -2.792 -5.782 1.00 0.00 C ATOM 765 CG HIS B 37 0.373 -3.303 -5.244 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.556 -2.606 -5.392 1.00 0.00 N ATOM 767 CD2 HIS B 37 0.700 -4.449 -4.571 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.534 -3.335 -4.823 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.064 -4.468 -4.303 1.00 0.00 N ATOM 0 H HIS B 37 -3.096 -2.445 -6.908 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.747 -3.831 -7.652 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.802 -1.802 -6.218 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.659 -2.688 -4.972 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.002 -5.224 -4.290 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.572 -3.038 -4.792 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.591 -5.192 -3.814 1.00 0.00 H new ATOM 777 N LEU B 38 -2.759 -5.324 -5.522 1.00 0.00 N ATOM 778 CA LEU B 38 -3.037 -6.600 -4.877 1.00 0.00 C ATOM 779 C LEU B 38 -3.151 -7.719 -5.900 1.00 0.00 C ATOM 780 O LEU B 38 -2.653 -8.813 -5.679 1.00 0.00 O ATOM 781 CB LEU B 38 -4.338 -6.505 -4.057 1.00 0.00 C ATOM 782 CG LEU B 38 -4.042 -5.996 -2.638 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.362 -5.640 -1.934 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.287 -7.077 -1.827 1.00 0.00 C ATOM 0 H LEU B 38 -3.477 -4.612 -5.386 1.00 0.00 H new ATOM 0 HA LEU B 38 -2.205 -6.830 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -5.039 -5.833 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.816 -7.483 -4.007 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.415 -5.107 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -5.152 -5.279 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.877 -4.862 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.994 -6.526 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -3.084 -6.703 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.899 -7.977 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.346 -7.313 -2.324 1.00 0.00 H new ATOM 796 N ILE B 39 -3.804 -7.446 -7.011 1.00 0.00 N ATOM 797 CA ILE B 39 -3.961 -8.465 -8.031 1.00 0.00 C ATOM 798 C ILE B 39 -2.598 -8.952 -8.514 1.00 0.00 C ATOM 799 O ILE B 39 -2.356 -10.158 -8.607 1.00 0.00 O ATOM 800 CB ILE B 39 -4.753 -7.882 -9.206 1.00 0.00 C ATOM 801 CG1 ILE B 39 -6.212 -7.670 -8.787 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.699 -8.831 -10.404 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.927 -6.815 -9.837 1.00 0.00 C ATOM 0 H ILE B 39 -4.228 -6.544 -7.230 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.499 -9.314 -7.609 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.311 -6.927 -9.490 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.715 -8.632 -8.682 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -6.254 -7.181 -7.814 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.266 -8.405 -11.232 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.662 -8.973 -10.709 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.130 -9.793 -10.126 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.965 -6.665 -9.539 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.429 -5.849 -9.920 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.897 -7.322 -10.801 1.00 0.00 H new ATOM 815 N LEU B 40 -1.714 -8.015 -8.822 1.00 0.00 N ATOM 816 CA LEU B 40 -0.384 -8.371 -9.297 1.00 0.00 C ATOM 817 C LEU B 40 0.460 -8.960 -8.172 1.00 0.00 C ATOM 818 O LEU B 40 1.167 -9.951 -8.362 1.00 0.00 O ATOM 819 CB LEU B 40 0.307 -7.133 -9.863 1.00 0.00 C ATOM 820 CG LEU B 40 -0.442 -6.652 -11.116 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.085 -5.272 -11.521 1.00 0.00 C ATOM 822 CD2 LEU B 40 -0.249 -7.646 -12.282 1.00 0.00 C ATOM 0 H LEU B 40 -1.890 -7.013 -8.753 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.489 -9.124 -10.078 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.329 -6.342 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.343 -7.364 -10.112 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.506 -6.590 -10.889 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.444 -4.927 -12.410 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -0.077 -4.567 -10.706 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.151 -5.339 -11.736 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -0.787 -7.287 -13.159 1.00 0.00 H new ATOM 0 HD22 LEU B 40 0.812 -7.730 -12.517 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -0.636 -8.624 -11.994 1.00 0.00 H new ATOM 834 N TRP B 41 0.380 -8.340 -7.006 1.00 0.00 N ATOM 835 CA TRP B 41 1.142 -8.798 -5.855 1.00 0.00 C ATOM 836 C TRP B 41 0.652 -10.162 -5.389 1.00 0.00 C ATOM 837 O TRP B 41 1.439 -10.993 -4.933 1.00 0.00 O ATOM 838 CB TRP B 41 1.065 -7.773 -4.720 1.00 0.00 C ATOM 839 CG TRP B 41 1.691 -8.343 -3.487 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.021 -8.373 -3.229 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.038 -8.896 -2.310 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.222 -8.977 -2.003 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.029 -9.299 -1.393 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.307 -9.099 -1.961 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.700 -9.886 -0.177 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.641 -9.679 -0.726 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.362 -10.071 0.160 1.00 0.00 C ATOM 0 H TRP B 41 -0.203 -7.521 -6.831 1.00 0.00 H new ATOM 0 HA TRP B 41 2.185 -8.901 -6.153 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.577 -6.855 -5.009 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.026 -7.510 -4.524 1.00 0.00 H new ATOM 0 HD1 TRP B 41 3.796 -7.988 -3.875 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.140 -9.162 -1.599 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -1.089 -8.807 -2.646 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.479 -10.197 0.503 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.678 -9.822 -0.462 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.101 -10.518 1.108 1.00 0.00 H new ATOM 858 N ILE B 42 -0.646 -10.382 -5.496 1.00 0.00 N ATOM 859 CA ILE B 42 -1.227 -11.643 -5.073 1.00 0.00 C ATOM 860 C ILE B 42 -0.669 -12.778 -5.917 1.00 0.00 C ATOM 861 O ILE B 42 -0.341 -13.845 -5.400 1.00 0.00 O ATOM 862 CB ILE B 42 -2.764 -11.588 -5.205 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.369 -10.829 -4.002 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.352 -13.013 -5.270 1.00 0.00 C ATOM 865 CD1 ILE B 42 -3.587 -11.780 -2.815 1.00 0.00 C ATOM 0 H ILE B 42 -1.314 -9.708 -5.870 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.971 -11.820 -4.028 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.014 -11.063 -6.127 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.705 -10.017 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.317 -10.376 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.436 -12.955 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.941 -13.537 -6.133 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.094 -13.555 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.013 -11.226 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.270 -12.577 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.632 -12.212 -2.515 1.00 0.00 H new ATOM 877 N LEU B 43 -0.592 -12.553 -7.215 1.00 0.00 N ATOM 878 CA LEU B 43 -0.104 -13.586 -8.110 1.00 0.00 C ATOM 879 C LEU B 43 1.336 -13.949 -7.765 1.00 0.00 C ATOM 880 O LEU B 43 1.706 -15.120 -7.741 1.00 0.00 O ATOM 881 CB LEU B 43 -0.196 -13.099 -9.569 1.00 0.00 C ATOM 882 CG LEU B 43 -0.480 -14.284 -10.508 1.00 0.00 C ATOM 883 CD1 LEU B 43 0.586 -15.378 -10.301 1.00 0.00 C ATOM 884 CD2 LEU B 43 -1.899 -14.858 -10.227 1.00 0.00 C ATOM 0 H LEU B 43 -0.856 -11.678 -7.668 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.722 -14.476 -7.993 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.986 -12.354 -9.662 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.736 -12.613 -9.857 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.440 -13.940 -11.541 1.00 0.00 H new ATOM 0 HD11 LEU B 43 0.382 -16.216 -10.968 1.00 0.00 H new ATOM 0 HD12 LEU B 43 1.573 -14.971 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU B 43 0.558 -15.722 -9.267 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -2.091 -15.696 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.956 -15.199 -9.193 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.645 -14.081 -10.394 1.00 0.00 H new ATOM 896 N ASP B 44 2.144 -12.937 -7.500 1.00 0.00 N ATOM 897 CA ASP B 44 3.539 -13.170 -7.168 1.00 0.00 C ATOM 898 C ASP B 44 3.658 -13.981 -5.883 1.00 0.00 C ATOM 899 O ASP B 44 4.513 -14.858 -5.768 1.00 0.00 O ATOM 900 CB ASP B 44 4.258 -11.834 -6.999 1.00 0.00 C ATOM 901 CG ASP B 44 5.724 -12.069 -6.650 1.00 0.00 C ATOM 902 OD1 ASP B 44 6.090 -13.216 -6.455 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.457 -11.097 -6.578 1.00 0.00 O ATOM 0 H ASP B 44 1.863 -11.957 -7.508 1.00 0.00 H new ATOM 0 HA ASP B 44 3.999 -13.733 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.183 -11.253 -7.918 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.778 -11.250 -6.213 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.670 13.885 0.115 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.755 13.965 -1.016 1.00 0.00 C ATOM 1139 C VAL C 28 0.343 12.916 -0.887 1.00 0.00 C ATOM 1140 O VAL C 28 0.688 12.241 -1.857 1.00 0.00 O ATOM 1141 CB VAL C 28 -0.128 15.359 -1.088 1.00 0.00 C ATOM 1142 CG1 VAL C 28 0.918 15.393 -2.204 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -1.219 16.392 -1.380 1.00 0.00 C ATOM 0 HA VAL C 28 -1.319 13.777 -1.930 1.00 0.00 H new ATOM 0 HB VAL C 28 0.350 15.592 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.364 16.386 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL C 28 1.695 14.657 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL C 28 0.442 15.160 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.775 17.386 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.696 16.158 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -1.964 16.369 -0.585 1.00 0.00 H new ATOM 1153 N ALA C 29 0.891 12.788 0.316 1.00 0.00 N ATOM 1154 CA ALA C 29 1.952 11.820 0.561 1.00 0.00 C ATOM 1155 C ALA C 29 1.458 10.406 0.286 1.00 0.00 C ATOM 1156 O ALA C 29 2.175 9.592 -0.288 1.00 0.00 O ATOM 1157 CB ALA C 29 2.432 11.925 2.010 1.00 0.00 C ATOM 0 H ALA C 29 0.620 13.338 1.131 1.00 0.00 H new ATOM 0 HA ALA C 29 2.782 12.040 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.225 11.198 2.184 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.813 12.929 2.195 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.600 11.723 2.684 1.00 0.00 H new ATOM 1163 N ALA C 30 0.228 10.120 0.694 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.341 8.794 0.484 1.00 0.00 C ATOM 1165 C ALA C 30 -0.289 8.414 -0.991 1.00 0.00 C ATOM 1166 O ALA C 30 0.156 7.321 -1.345 1.00 0.00 O ATOM 1167 CB ALA C 30 -1.792 8.773 0.964 1.00 0.00 C ATOM 0 H ALA C 30 -0.389 10.780 1.167 1.00 0.00 H new ATOM 0 HA ALA C 30 0.245 8.072 1.053 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.213 7.780 0.805 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -1.828 9.017 2.026 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.371 9.507 0.404 1.00 0.00 H new ATOM 1173 N SER C 31 -0.743 9.320 -1.849 1.00 0.00 N ATOM 1174 CA SER C 31 -0.740 9.065 -3.285 1.00 0.00 C ATOM 1175 C SER C 31 0.683 8.861 -3.795 1.00 0.00 C ATOM 1176 O SER C 31 0.940 7.973 -4.603 1.00 0.00 O ATOM 1177 CB SER C 31 -1.382 10.236 -4.024 1.00 0.00 C ATOM 1178 OG SER C 31 -2.725 10.388 -3.585 1.00 0.00 O ATOM 0 H SER C 31 -1.115 10.231 -1.579 1.00 0.00 H new ATOM 0 HA SER C 31 -1.313 8.157 -3.472 1.00 0.00 H new ATOM 0 HB2 SER C 31 -0.820 11.151 -3.837 1.00 0.00 H new ATOM 0 HB3 SER C 31 -1.356 10.060 -5.099 1.00 0.00 H new ATOM 0 HG SER C 31 -3.140 11.140 -4.056 1.00 0.00 H new ATOM 1184 N ILE C 32 1.601 9.691 -3.318 1.00 0.00 N ATOM 1185 CA ILE C 32 2.997 9.601 -3.735 1.00 0.00 C ATOM 1186 C ILE C 32 3.598 8.264 -3.316 1.00 0.00 C ATOM 1187 O ILE C 32 4.332 7.640 -4.076 1.00 0.00 O ATOM 1188 CB ILE C 32 3.808 10.746 -3.120 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.345 12.074 -3.724 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.297 10.542 -3.421 1.00 0.00 C ATOM 1191 CD1 ILE C 32 3.967 13.235 -2.944 1.00 0.00 C ATOM 0 H ILE C 32 1.407 10.432 -2.645 1.00 0.00 H new ATOM 0 HA ILE C 32 3.034 9.678 -4.822 1.00 0.00 H new ATOM 0 HB ILE C 32 3.656 10.760 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE C 32 3.636 12.130 -4.773 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.258 12.141 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.872 11.358 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.628 9.595 -2.995 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.452 10.528 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.637 14.181 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.654 13.182 -1.901 1.00 0.00 H new ATOM 0 HD13 ILE C 32 5.054 13.170 -3.000 1.00 0.00 H new ATOM 1203 N ILE C 33 3.288 7.836 -2.100 1.00 0.00 N ATOM 1204 CA ILE C 33 3.813 6.575 -1.595 1.00 0.00 C ATOM 1205 C ILE C 33 3.366 5.415 -2.481 1.00 0.00 C ATOM 1206 O ILE C 33 4.153 4.521 -2.785 1.00 0.00 O ATOM 1207 CB ILE C 33 3.326 6.342 -0.157 1.00 0.00 C ATOM 1208 CG1 ILE C 33 4.019 7.331 0.785 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.639 4.904 0.283 1.00 0.00 C ATOM 1210 CD1 ILE C 33 3.321 7.311 2.146 1.00 0.00 C ATOM 0 H ILE C 33 2.682 8.337 -1.451 1.00 0.00 H new ATOM 0 HA ILE C 33 4.902 6.626 -1.605 1.00 0.00 H new ATOM 0 HB ILE C 33 2.248 6.496 -0.119 1.00 0.00 H new ATOM 0 HG12 ILE C 33 5.070 7.066 0.899 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.988 8.335 0.363 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.289 4.752 1.304 1.00 0.00 H new ATOM 0 HG22 ILE C 33 3.135 4.202 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.715 4.736 0.240 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.813 8.014 2.818 1.00 0.00 H new ATOM 0 HD12 ILE C 33 2.276 7.597 2.023 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.376 6.308 2.568 1.00 0.00 H new ATOM 1222 N GLY C 34 2.104 5.429 -2.882 1.00 0.00 N ATOM 1223 CA GLY C 34 1.581 4.360 -3.721 1.00 0.00 C ATOM 1224 C GLY C 34 2.341 4.276 -5.041 1.00 0.00 C ATOM 1225 O GLY C 34 2.841 3.214 -5.413 1.00 0.00 O ATOM 0 H GLY C 34 1.431 6.157 -2.645 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.657 3.409 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.523 4.532 -3.917 1.00 0.00 H new ATOM 1229 N ILE C 35 2.424 5.399 -5.748 1.00 0.00 N ATOM 1230 CA ILE C 35 3.123 5.431 -7.028 1.00 0.00 C ATOM 1231 C ILE C 35 4.617 5.227 -6.834 1.00 0.00 C ATOM 1232 O ILE C 35 5.246 4.466 -7.559 1.00 0.00 O ATOM 1233 CB ILE C 35 2.881 6.774 -7.719 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.376 7.056 -7.783 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.451 6.735 -9.140 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.637 5.894 -8.454 1.00 0.00 C ATOM 0 H ILE C 35 2.020 6.290 -5.460 1.00 0.00 H new ATOM 0 HA ILE C 35 2.736 4.622 -7.648 1.00 0.00 H new ATOM 0 HB ILE C 35 3.376 7.562 -7.152 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.986 7.209 -6.777 1.00 0.00 H new ATOM 0 HG13 ILE C 35 1.196 7.977 -8.338 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.276 7.694 -9.629 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.522 6.539 -9.097 1.00 0.00 H new ATOM 0 HG23 ILE C 35 2.960 5.944 -9.707 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.430 6.114 -8.490 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.014 5.760 -9.468 1.00 0.00 H new ATOM 0 HD13 ILE C 35 0.800 4.980 -7.882 1.00 0.00 H new ATOM 1248 N LEU C 36 5.180 5.921 -5.856 1.00 0.00 N ATOM 1249 CA LEU C 36 6.609 5.814 -5.597 1.00 0.00 C ATOM 1250 C LEU C 36 6.990 4.385 -5.223 1.00 0.00 C ATOM 1251 O LEU C 36 7.981 3.843 -5.716 1.00 0.00 O ATOM 1252 CB LEU C 36 7.002 6.765 -4.457 1.00 0.00 C ATOM 1253 CG LEU C 36 8.512 6.661 -4.178 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.308 7.029 -5.444 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.884 7.615 -3.038 1.00 0.00 C ATOM 0 H LEU C 36 4.678 6.556 -5.236 1.00 0.00 H new ATOM 0 HA LEU C 36 7.143 6.088 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.743 7.790 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.440 6.517 -3.556 1.00 0.00 H new ATOM 0 HG LEU C 36 8.756 5.638 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.376 6.953 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.045 6.345 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.068 8.050 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU C 36 9.953 7.544 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.636 8.637 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.328 7.344 -2.141 1.00 0.00 H new ATOM 1267 N HIS C 37 6.198 3.785 -4.346 1.00 0.00 N ATOM 1268 CA HIS C 37 6.457 2.423 -3.904 1.00 0.00 C ATOM 1269 C HIS C 37 6.315 1.452 -5.065 1.00 0.00 C ATOM 1270 O HIS C 37 7.098 0.513 -5.200 1.00 0.00 O ATOM 1271 CB HIS C 37 5.488 2.040 -2.788 1.00 0.00 C ATOM 1272 CG HIS C 37 5.776 0.635 -2.335 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.188 0.341 -1.049 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.729 -0.567 -2.991 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.373 -0.990 -0.974 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.103 -1.591 -2.130 1.00 0.00 N ATOM 0 H HIS C 37 5.374 4.218 -3.928 1.00 0.00 H new ATOM 0 HA HIS C 37 7.478 2.371 -3.525 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.589 2.731 -1.951 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.460 2.116 -3.142 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.444 -0.699 -4.024 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.701 -1.507 -0.084 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.159 -2.588 -2.339 1.00 0.00 H new ATOM 1284 N LEU C 38 5.306 1.676 -5.894 1.00 0.00 N ATOM 1285 CA LEU C 38 5.065 0.805 -7.035 1.00 0.00 C ATOM 1286 C LEU C 38 6.239 0.822 -7.997 1.00 0.00 C ATOM 1287 O LEU C 38 6.630 -0.211 -8.520 1.00 0.00 O ATOM 1288 CB LEU C 38 3.779 1.234 -7.766 1.00 0.00 C ATOM 1289 CG LEU C 38 2.552 0.549 -7.146 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.268 1.191 -7.698 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.564 -0.966 -7.470 1.00 0.00 C ATOM 0 H LEU C 38 4.645 2.447 -5.799 1.00 0.00 H new ATOM 0 HA LEU C 38 4.946 -0.213 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.666 2.317 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU C 38 3.851 0.976 -8.823 1.00 0.00 H new ATOM 0 HG LEU C 38 2.583 0.676 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.399 0.703 -7.257 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.255 2.252 -7.448 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.239 1.073 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.689 -1.440 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.543 -1.107 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.468 -1.418 -7.063 1.00 0.00 H new ATOM 1303 N ILE C 39 6.797 1.992 -8.233 1.00 0.00 N ATOM 1304 CA ILE C 39 7.917 2.092 -9.149 1.00 0.00 C ATOM 1305 C ILE C 39 9.075 1.220 -8.671 1.00 0.00 C ATOM 1306 O ILE C 39 9.659 0.464 -9.450 1.00 0.00 O ATOM 1307 CB ILE C 39 8.367 3.554 -9.235 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.308 4.374 -9.980 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.702 3.656 -9.975 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.603 5.866 -9.812 1.00 0.00 C ATOM 0 H ILE C 39 6.501 2.873 -7.812 1.00 0.00 H new ATOM 0 HA ILE C 39 7.606 1.744 -10.134 1.00 0.00 H new ATOM 0 HB ILE C 39 8.491 3.944 -8.225 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.307 4.110 -11.038 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.316 4.143 -9.593 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.009 4.700 -10.029 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.459 3.082 -9.441 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.590 3.259 -10.984 1.00 0.00 H new ATOM 0 HD11 ILE C 39 6.849 6.448 -10.342 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.582 6.124 -8.753 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.588 6.090 -10.221 1.00 0.00 H new ATOM 1322 N LEU C 40 9.403 1.329 -7.392 1.00 0.00 N ATOM 1323 CA LEU C 40 10.496 0.544 -6.834 1.00 0.00 C ATOM 1324 C LEU C 40 10.113 -0.926 -6.718 1.00 0.00 C ATOM 1325 O LEU C 40 10.904 -1.815 -7.039 1.00 0.00 O ATOM 1326 CB LEU C 40 10.869 1.089 -5.455 1.00 0.00 C ATOM 1327 CG LEU C 40 11.438 2.511 -5.602 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.559 3.149 -4.214 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.823 2.477 -6.280 1.00 0.00 C ATOM 0 H LEU C 40 8.935 1.945 -6.727 1.00 0.00 H new ATOM 0 HA LEU C 40 11.351 0.623 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU C 40 9.992 1.102 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.605 0.439 -4.982 1.00 0.00 H new ATOM 0 HG LEU C 40 10.764 3.099 -6.225 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.962 4.157 -4.311 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.575 3.195 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU C 40 12.227 2.550 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU C 40 13.207 3.493 -6.374 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.509 1.884 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.733 2.030 -7.270 1.00 0.00 H new ATOM 1341 N TRP C 41 8.898 -1.171 -6.255 1.00 0.00 N ATOM 1342 CA TRP C 41 8.414 -2.534 -6.091 1.00 0.00 C ATOM 1343 C TRP C 41 8.260 -3.219 -7.440 1.00 0.00 C ATOM 1344 O TRP C 41 8.492 -4.421 -7.567 1.00 0.00 O ATOM 1345 CB TRP C 41 7.091 -2.540 -5.319 1.00 0.00 C ATOM 1346 CG TRP C 41 6.514 -3.922 -5.325 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.881 -4.923 -4.492 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.425 -4.447 -6.136 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.134 -6.049 -4.794 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.216 -5.798 -5.789 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.622 -3.892 -7.143 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.246 -6.568 -6.417 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.632 -4.667 -7.771 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.448 -6.001 -7.407 1.00 0.00 C ATOM 0 H TRP C 41 8.230 -0.448 -5.987 1.00 0.00 H new ATOM 0 HA TRP C 41 9.150 -3.095 -5.514 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.255 -2.207 -4.294 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.390 -1.840 -5.773 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.632 -4.855 -3.719 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.250 -6.953 -4.336 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.765 -2.863 -7.438 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.111 -7.603 -6.139 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.011 -4.228 -8.538 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.687 -6.594 -7.893 1.00 0.00 H new ATOM 1365 N ILE C 42 7.858 -2.453 -8.439 1.00 0.00 N ATOM 1366 CA ILE C 42 7.666 -3.003 -9.770 1.00 0.00 C ATOM 1367 C ILE C 42 8.988 -3.518 -10.311 1.00 0.00 C ATOM 1368 O ILE C 42 9.048 -4.593 -10.908 1.00 0.00 O ATOM 1369 CB ILE C 42 7.090 -1.920 -10.709 1.00 0.00 C ATOM 1370 CG1 ILE C 42 5.569 -1.774 -10.474 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.355 -2.291 -12.184 1.00 0.00 C ATOM 1372 CD1 ILE C 42 4.789 -2.802 -11.308 1.00 0.00 C ATOM 0 H ILE C 42 7.659 -1.456 -8.356 1.00 0.00 H new ATOM 0 HA ILE C 42 6.961 -3.832 -9.716 1.00 0.00 H new ATOM 0 HB ILE C 42 7.582 -0.972 -10.490 1.00 0.00 H new ATOM 0 HG12 ILE C 42 5.345 -1.911 -9.416 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.250 -0.766 -10.739 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.943 -1.518 -12.833 1.00 0.00 H new ATOM 0 HG22 ILE C 42 8.429 -2.371 -12.352 1.00 0.00 H new ATOM 0 HG23 ILE C 42 6.880 -3.246 -12.410 1.00 0.00 H new ATOM 0 HD11 ILE C 42 3.721 -2.682 -11.128 1.00 0.00 H new ATOM 0 HD12 ILE C 42 4.998 -2.646 -12.366 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.094 -3.809 -11.023 1.00 0.00 H new ATOM 1384 N LEU C 43 10.037 -2.736 -10.130 1.00 0.00 N ATOM 1385 CA LEU C 43 11.337 -3.125 -10.643 1.00 0.00 C ATOM 1386 C LEU C 43 11.791 -4.429 -9.998 1.00 0.00 C ATOM 1387 O LEU C 43 12.306 -5.323 -10.667 1.00 0.00 O ATOM 1388 CB LEU C 43 12.361 -2.007 -10.366 1.00 0.00 C ATOM 1389 CG LEU C 43 13.416 -1.965 -11.487 1.00 0.00 C ATOM 1390 CD1 LEU C 43 14.063 -3.354 -11.644 1.00 0.00 C ATOM 1391 CD2 LEU C 43 12.753 -1.528 -12.824 1.00 0.00 C ATOM 0 H LEU C 43 10.016 -1.842 -9.640 1.00 0.00 H new ATOM 0 HA LEU C 43 11.263 -3.280 -11.719 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.852 -1.046 -10.299 1.00 0.00 H new ATOM 0 HB3 LEU C 43 12.847 -2.178 -9.405 1.00 0.00 H new ATOM 0 HG LEU C 43 14.188 -1.241 -11.226 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.809 -3.320 -12.438 1.00 0.00 H new ATOM 0 HD12 LEU C 43 14.542 -3.640 -10.708 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.296 -4.086 -11.897 1.00 0.00 H new ATOM 0 HD21 LEU C 43 13.506 -1.501 -13.612 1.00 0.00 H new ATOM 0 HD22 LEU C 43 11.972 -2.240 -13.093 1.00 0.00 H new ATOM 0 HD23 LEU C 43 12.315 -0.537 -12.706 1.00 0.00 H new ATOM 1403 N ASP C 44 11.600 -4.532 -8.695 1.00 0.00 N ATOM 1404 CA ASP C 44 12.003 -5.728 -7.976 1.00 0.00 C ATOM 1405 C ASP C 44 11.245 -6.945 -8.491 1.00 0.00 C ATOM 1406 O ASP C 44 11.807 -8.032 -8.614 1.00 0.00 O ATOM 1407 CB ASP C 44 11.733 -5.548 -6.484 1.00 0.00 C ATOM 1408 CG ASP C 44 12.151 -6.802 -5.723 1.00 0.00 C ATOM 1409 OD1 ASP C 44 12.526 -7.767 -6.368 1.00 0.00 O ATOM 1410 OD2 ASP C 44 12.083 -6.779 -4.504 1.00 0.00 O ATOM 0 H ASP C 44 11.172 -3.809 -8.117 1.00 0.00 H new ATOM 0 HA ASP C 44 13.069 -5.888 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP C 44 12.282 -4.685 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP C 44 10.674 -5.349 -6.319 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.541 8.089 8.231 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.663 8.880 7.378 1.00 0.00 C ATOM 1630 C VAL D 27 -5.241 8.885 7.932 1.00 0.00 C ATOM 1631 O VAL D 27 -4.273 8.672 7.198 1.00 0.00 O ATOM 1632 CB VAL D 27 -7.185 10.315 7.284 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -6.199 11.168 6.483 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.549 10.316 6.585 1.00 0.00 C ATOM 0 HA VAL D 27 -6.650 8.433 6.384 1.00 0.00 H new ATOM 0 HB VAL D 27 -7.289 10.730 8.287 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -6.572 12.190 6.417 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -5.229 11.167 6.981 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -6.092 10.755 5.480 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -8.922 11.338 6.517 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.444 9.901 5.583 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -9.252 9.710 7.157 1.00 0.00 H new ATOM 1644 N VAL D 28 -5.121 9.130 9.233 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.813 9.160 9.877 1.00 0.00 C ATOM 1646 C VAL D 28 -3.153 7.789 9.806 1.00 0.00 C ATOM 1647 O VAL D 28 -1.965 7.676 9.504 1.00 0.00 O ATOM 1648 CB VAL D 28 -3.959 9.585 11.340 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.596 9.501 12.035 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -4.476 11.024 11.405 1.00 0.00 C ATOM 0 H VAL D 28 -5.907 9.309 9.858 1.00 0.00 H new ATOM 0 HA VAL D 28 -3.186 9.881 9.353 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.664 8.922 11.841 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.700 9.804 13.077 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -2.227 8.476 11.990 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -1.890 10.163 11.533 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -4.580 11.327 12.447 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.771 11.687 10.903 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -5.446 11.085 10.911 1.00 0.00 H new ATOM 1660 N ALA D 29 -3.931 6.750 10.090 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.409 5.390 10.057 1.00 0.00 C ATOM 1662 C ALA D 29 -2.903 5.044 8.662 1.00 0.00 C ATOM 1663 O ALA D 29 -1.859 4.415 8.512 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.503 4.401 10.465 1.00 0.00 C ATOM 0 H ALA D 29 -4.916 6.823 10.343 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.578 5.323 10.759 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.105 3.387 10.438 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.843 4.631 11.475 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.342 4.480 9.773 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.645 5.461 7.644 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.253 5.182 6.267 1.00 0.00 C ATOM 1672 C ALA D 30 -1.841 5.687 5.997 1.00 0.00 C ATOM 1673 O ALA D 30 -1.005 4.962 5.460 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.230 5.855 5.303 1.00 0.00 C ATOM 0 H ALA D 30 -4.513 5.988 7.743 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.274 4.103 6.114 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -3.932 5.643 4.276 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.235 5.470 5.476 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.221 6.932 5.469 1.00 0.00 H new ATOM 1680 N SER D 31 -1.583 6.934 6.373 1.00 0.00 N ATOM 1681 CA SER D 31 -0.264 7.522 6.167 1.00 0.00 C ATOM 1682 C SER D 31 0.800 6.749 6.939 1.00 0.00 C ATOM 1683 O SER D 31 1.888 6.494 6.429 1.00 0.00 O ATOM 1684 CB SER D 31 -0.266 8.980 6.622 1.00 0.00 C ATOM 1685 OG SER D 31 -1.216 9.709 5.857 1.00 0.00 O ATOM 0 H SER D 31 -2.261 7.552 6.818 1.00 0.00 H new ATOM 0 HA SER D 31 -0.030 7.472 5.104 1.00 0.00 H new ATOM 0 HB2 SER D 31 -0.511 9.042 7.682 1.00 0.00 H new ATOM 0 HB3 SER D 31 0.727 9.413 6.499 1.00 0.00 H new ATOM 0 HG SER D 31 -1.221 10.645 6.148 1.00 0.00 H new ATOM 1691 N ILE D 32 0.477 6.383 8.174 1.00 0.00 N ATOM 1692 CA ILE D 32 1.413 5.644 9.016 1.00 0.00 C ATOM 1693 C ILE D 32 1.728 4.282 8.406 1.00 0.00 C ATOM 1694 O ILE D 32 2.874 3.844 8.407 1.00 0.00 O ATOM 1695 CB ILE D 32 0.830 5.459 10.419 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.735 6.820 11.113 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.740 4.533 11.237 1.00 0.00 C ATOM 1698 CD1 ILE D 32 -0.069 6.680 12.407 1.00 0.00 C ATOM 0 H ILE D 32 -0.421 6.584 8.614 1.00 0.00 H new ATOM 0 HA ILE D 32 2.337 6.219 9.084 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.163 5.016 10.343 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.733 7.198 11.332 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.258 7.544 10.453 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.323 4.403 12.236 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.810 3.564 10.744 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.734 4.974 11.313 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -0.136 7.650 12.900 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -1.072 6.321 12.175 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.427 5.970 13.069 1.00 0.00 H new ATOM 1710 N ILE D 33 0.701 3.619 7.893 1.00 0.00 N ATOM 1711 CA ILE D 33 0.884 2.306 7.292 1.00 0.00 C ATOM 1712 C ILE D 33 1.851 2.385 6.114 1.00 0.00 C ATOM 1713 O ILE D 33 2.713 1.523 5.950 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.467 1.751 6.815 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.327 1.383 8.028 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.250 0.509 5.938 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -2.764 1.123 7.571 1.00 0.00 C ATOM 0 H ILE D 33 -0.259 3.965 7.881 1.00 0.00 H new ATOM 0 HA ILE D 33 1.302 1.639 8.046 1.00 0.00 H new ATOM 0 HB ILE D 33 -0.976 2.514 6.226 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -0.924 0.497 8.519 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.307 2.190 8.760 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.215 0.125 5.606 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.352 0.777 5.070 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.267 -0.258 6.515 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.378 0.861 8.433 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.164 2.021 7.100 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -2.775 0.302 6.854 1.00 0.00 H new ATOM 1729 N GLY D 34 1.698 3.413 5.291 1.00 0.00 N ATOM 1730 CA GLY D 34 2.563 3.571 4.132 1.00 0.00 C ATOM 1731 C GLY D 34 4.023 3.709 4.550 1.00 0.00 C ATOM 1732 O GLY D 34 4.887 2.974 4.072 1.00 0.00 O ATOM 0 H GLY D 34 0.992 4.141 5.402 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.451 2.712 3.471 1.00 0.00 H new ATOM 0 HA3 GLY D 34 2.259 4.451 3.565 1.00 0.00 H new ATOM 1736 N ILE D 35 4.296 4.654 5.443 1.00 0.00 N ATOM 1737 CA ILE D 35 5.660 4.878 5.911 1.00 0.00 C ATOM 1738 C ILE D 35 6.145 3.701 6.739 1.00 0.00 C ATOM 1739 O ILE D 35 7.268 3.234 6.570 1.00 0.00 O ATOM 1740 CB ILE D 35 5.719 6.153 6.756 1.00 0.00 C ATOM 1741 CG1 ILE D 35 5.089 7.313 5.979 1.00 0.00 C ATOM 1742 CG2 ILE D 35 7.174 6.489 7.085 1.00 0.00 C ATOM 1743 CD1 ILE D 35 5.754 7.469 4.608 1.00 0.00 C ATOM 0 H ILE D 35 3.598 5.273 5.855 1.00 0.00 H new ATOM 0 HA ILE D 35 6.307 4.985 5.040 1.00 0.00 H new ATOM 0 HB ILE D 35 5.168 5.995 7.683 1.00 0.00 H new ATOM 0 HG12 ILE D 35 4.021 7.136 5.853 1.00 0.00 H new ATOM 0 HG13 ILE D 35 5.194 8.237 6.547 1.00 0.00 H new ATOM 0 HG21 ILE D 35 7.211 7.397 7.687 1.00 0.00 H new ATOM 0 HG22 ILE D 35 7.620 5.666 7.643 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.730 6.644 6.160 1.00 0.00 H new ATOM 0 HD11 ILE D 35 5.292 8.298 4.072 1.00 0.00 H new ATOM 0 HD12 ILE D 35 6.817 7.669 4.740 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.626 6.551 4.035 1.00 0.00 H new ATOM 1755 N LEU D 36 5.298 3.228 7.639 1.00 0.00 N ATOM 1756 CA LEU D 36 5.673 2.114 8.497 1.00 0.00 C ATOM 1757 C LEU D 36 5.965 0.864 7.671 1.00 0.00 C ATOM 1758 O LEU D 36 6.958 0.170 7.902 1.00 0.00 O ATOM 1759 CB LEU D 36 4.539 1.818 9.489 1.00 0.00 C ATOM 1760 CG LEU D 36 4.928 0.642 10.403 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.212 0.982 11.182 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.785 0.364 11.384 1.00 0.00 C ATOM 0 H LEU D 36 4.358 3.592 7.794 1.00 0.00 H new ATOM 0 HA LEU D 36 6.576 2.390 9.041 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.332 2.703 10.091 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.624 1.580 8.947 1.00 0.00 H new ATOM 0 HG LEU D 36 5.110 -0.243 9.794 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.479 0.144 11.826 1.00 0.00 H new ATOM 0 HD12 LEU D 36 7.024 1.174 10.480 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.043 1.869 11.792 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.057 -0.468 12.033 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.601 1.251 11.990 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.882 0.111 10.828 1.00 0.00 H new ATOM 1774 N HIS D 37 5.094 0.586 6.710 1.00 0.00 N ATOM 1775 CA HIS D 37 5.259 -0.581 5.858 1.00 0.00 C ATOM 1776 C HIS D 37 6.520 -0.448 5.019 1.00 0.00 C ATOM 1777 O HIS D 37 7.251 -1.417 4.821 1.00 0.00 O ATOM 1778 CB HIS D 37 4.046 -0.739 4.946 1.00 0.00 C ATOM 1779 CG HIS D 37 4.229 -1.955 4.076 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.379 -3.043 4.136 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.168 -2.270 3.131 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.821 -3.956 3.251 1.00 0.00 C ATOM 1783 NE2 HIS D 37 4.908 -3.531 2.609 1.00 0.00 N ATOM 0 H HIS D 37 4.270 1.150 6.503 1.00 0.00 H new ATOM 0 HA HIS D 37 5.348 -1.464 6.491 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.139 -0.838 5.543 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.925 0.150 4.327 1.00 0.00 H new ATOM 0 HD2 HIS D 37 5.989 -1.633 2.835 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.352 -4.914 3.082 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.436 -4.025 1.889 1.00 0.00 H new ATOM 1791 N LEU D 38 6.762 0.755 4.515 1.00 0.00 N ATOM 1792 CA LEU D 38 7.933 1.000 3.686 1.00 0.00 C ATOM 1793 C LEU D 38 9.217 0.743 4.456 1.00 0.00 C ATOM 1794 O LEU D 38 10.157 0.170 3.924 1.00 0.00 O ATOM 1795 CB LEU D 38 7.917 2.449 3.162 1.00 0.00 C ATOM 1796 CG LEU D 38 7.126 2.538 1.846 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.880 4.014 1.494 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.908 1.848 0.704 1.00 0.00 C ATOM 0 H LEU D 38 6.168 1.570 4.665 1.00 0.00 H new ATOM 0 HA LEU D 38 7.898 0.310 2.843 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.469 3.106 3.907 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.938 2.796 3.003 1.00 0.00 H new ATOM 0 HG LEU D 38 6.169 2.031 1.970 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.319 4.077 0.561 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.310 4.488 2.293 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.836 4.525 1.378 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.337 1.918 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.872 2.340 0.574 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.067 0.799 0.954 1.00 0.00 H new ATOM 1810 N ILE D 39 9.259 1.170 5.700 1.00 0.00 N ATOM 1811 CA ILE D 39 10.455 0.971 6.497 1.00 0.00 C ATOM 1812 C ILE D 39 10.782 -0.516 6.603 1.00 0.00 C ATOM 1813 O ILE D 39 11.927 -0.926 6.400 1.00 0.00 O ATOM 1814 CB ILE D 39 10.229 1.556 7.895 1.00 0.00 C ATOM 1815 CG1 ILE D 39 10.188 3.085 7.811 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.356 1.127 8.835 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.669 3.657 9.132 1.00 0.00 C ATOM 0 H ILE D 39 8.495 1.649 6.177 1.00 0.00 H new ATOM 0 HA ILE D 39 11.294 1.475 6.018 1.00 0.00 H new ATOM 0 HB ILE D 39 9.281 1.185 8.284 1.00 0.00 H new ATOM 0 HG12 ILE D 39 11.184 3.475 7.600 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.543 3.397 6.989 1.00 0.00 H new ATOM 0 HG21 ILE D 39 11.184 1.549 9.825 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.379 0.039 8.903 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.309 1.487 8.448 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.640 4.745 9.071 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.665 3.278 9.323 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.331 3.356 9.944 1.00 0.00 H new ATOM 1829 N LEU D 40 9.778 -1.318 6.922 1.00 0.00 N ATOM 1830 CA LEU D 40 9.982 -2.756 7.053 1.00 0.00 C ATOM 1831 C LEU D 40 10.214 -3.402 5.693 1.00 0.00 C ATOM 1832 O LEU D 40 11.087 -4.257 5.538 1.00 0.00 O ATOM 1833 CB LEU D 40 8.764 -3.388 7.721 1.00 0.00 C ATOM 1834 CG LEU D 40 8.647 -2.878 9.167 1.00 0.00 C ATOM 1835 CD1 LEU D 40 7.293 -3.300 9.743 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.785 -3.447 10.041 1.00 0.00 C ATOM 0 H LEU D 40 8.823 -1.004 7.094 1.00 0.00 H new ATOM 0 HA LEU D 40 10.867 -2.923 7.667 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.861 -3.140 7.163 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.855 -4.474 7.714 1.00 0.00 H new ATOM 0 HG LEU D 40 8.726 -1.791 9.165 1.00 0.00 H new ATOM 0 HD11 LEU D 40 7.206 -2.940 10.768 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.492 -2.873 9.139 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.216 -4.387 9.732 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.683 -3.073 11.060 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.730 -4.536 10.047 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.747 -3.134 9.635 1.00 0.00 H new ATOM 1848 N TRP D 41 9.425 -2.987 4.714 1.00 0.00 N ATOM 1849 CA TRP D 41 9.542 -3.533 3.371 1.00 0.00 C ATOM 1850 C TRP D 41 10.863 -3.134 2.733 1.00 0.00 C ATOM 1851 O TRP D 41 11.453 -3.900 1.972 1.00 0.00 O ATOM 1852 CB TRP D 41 8.357 -3.083 2.509 1.00 0.00 C ATOM 1853 CG TRP D 41 8.587 -3.495 1.089 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.347 -4.729 0.587 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.024 -2.678 -0.033 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.680 -4.735 -0.756 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.084 -3.490 -1.186 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.385 -1.328 -0.158 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.491 -2.978 -2.415 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.782 -0.809 -1.399 1.00 0.00 C ATOM 1861 CH2 TRP D 41 9.834 -1.635 -2.523 1.00 0.00 C ATOM 0 H TRP D 41 8.700 -2.278 4.823 1.00 0.00 H new ATOM 0 HA TRP D 41 9.524 -4.621 3.439 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.434 -3.526 2.882 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.239 -2.001 2.570 1.00 0.00 H new ATOM 0 HD1 TRP D 41 7.960 -5.570 1.143 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.632 -5.560 -1.354 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.357 -0.683 0.708 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.540 -3.621 -3.281 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.049 0.234 -1.485 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.141 -1.231 -3.476 1.00 0.00 H new ATOM 1872 N ILE D 42 11.314 -1.931 3.037 1.00 0.00 N ATOM 1873 CA ILE D 42 12.560 -1.441 2.480 1.00 0.00 C ATOM 1874 C ILE D 42 13.715 -2.309 2.950 1.00 0.00 C ATOM 1875 O ILE D 42 14.602 -2.652 2.171 1.00 0.00 O ATOM 1876 CB ILE D 42 12.787 0.026 2.906 1.00 0.00 C ATOM 1877 CG1 ILE D 42 11.933 0.969 2.026 1.00 0.00 C ATOM 1878 CG2 ILE D 42 14.277 0.399 2.776 1.00 0.00 C ATOM 1879 CD1 ILE D 42 12.677 1.319 0.727 1.00 0.00 C ATOM 0 H ILE D 42 10.840 -1.279 3.662 1.00 0.00 H new ATOM 0 HA ILE D 42 12.506 -1.487 1.392 1.00 0.00 H new ATOM 0 HB ILE D 42 12.487 0.136 3.948 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.982 0.492 1.789 1.00 0.00 H new ATOM 0 HG13 ILE D 42 11.704 1.881 2.577 1.00 0.00 H new ATOM 0 HG21 ILE D 42 14.420 1.436 3.080 1.00 0.00 H new ATOM 0 HG22 ILE D 42 14.872 -0.252 3.416 1.00 0.00 H new ATOM 0 HG23 ILE D 42 14.593 0.278 1.740 1.00 0.00 H new ATOM 0 HD11 ILE D 42 12.060 1.983 0.122 1.00 0.00 H new ATOM 0 HD12 ILE D 42 13.616 1.816 0.968 1.00 0.00 H new ATOM 0 HD13 ILE D 42 12.883 0.406 0.168 1.00 0.00 H new ATOM 1891 N LEU D 43 13.713 -2.637 4.230 1.00 0.00 N ATOM 1892 CA LEU D 43 14.790 -3.433 4.784 1.00 0.00 C ATOM 1893 C LEU D 43 14.841 -4.800 4.106 1.00 0.00 C ATOM 1894 O LEU D 43 15.909 -5.304 3.769 1.00 0.00 O ATOM 1895 CB LEU D 43 14.588 -3.600 6.303 1.00 0.00 C ATOM 1896 CG LEU D 43 15.953 -3.683 7.012 1.00 0.00 C ATOM 1897 CD1 LEU D 43 16.798 -4.807 6.386 1.00 0.00 C ATOM 1898 CD2 LEU D 43 16.697 -2.323 6.896 1.00 0.00 C ATOM 0 H LEU D 43 12.988 -2.369 4.896 1.00 0.00 H new ATOM 0 HA LEU D 43 15.736 -2.922 4.605 1.00 0.00 H new ATOM 0 HB2 LEU D 43 14.016 -2.760 6.696 1.00 0.00 H new ATOM 0 HB3 LEU D 43 14.010 -4.502 6.504 1.00 0.00 H new ATOM 0 HG LEU D 43 15.795 -3.905 8.067 1.00 0.00 H new ATOM 0 HD11 LEU D 43 17.762 -4.861 6.891 1.00 0.00 H new ATOM 0 HD12 LEU D 43 16.277 -5.758 6.495 1.00 0.00 H new ATOM 0 HD13 LEU D 43 16.954 -4.599 5.328 1.00 0.00 H new ATOM 0 HD21 LEU D 43 17.661 -2.391 7.400 1.00 0.00 H new ATOM 0 HD22 LEU D 43 16.854 -2.083 5.844 1.00 0.00 H new ATOM 0 HD23 LEU D 43 16.099 -1.540 7.362 1.00 0.00 H new ATOM 1910 N ASP D 44 13.678 -5.394 3.911 1.00 0.00 N ATOM 1911 CA ASP D 44 13.608 -6.701 3.281 1.00 0.00 C ATOM 1912 C ASP D 44 14.148 -6.640 1.858 1.00 0.00 C ATOM 1913 O ASP D 44 14.831 -7.558 1.402 1.00 0.00 O ATOM 1914 CB ASP D 44 12.161 -7.190 3.262 1.00 0.00 C ATOM 1915 CG ASP D 44 12.077 -8.555 2.586 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.095 -9.018 2.098 1.00 0.00 O ATOM 1917 OD2 ASP D 44 10.995 -9.116 2.564 1.00 0.00 O ATOM 0 H ASP D 44 12.777 -4.998 4.177 1.00 0.00 H new ATOM 0 HA ASP D 44 14.219 -7.396 3.857 1.00 0.00 H new ATOM 0 HB2 ASP D 44 11.778 -7.256 4.280 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.534 -6.474 2.731 1.00 0.00 H new