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 -35:sc= 0.617 USER MOD Single : A 37 HIS : no HD1:sc= -8.55! C(o=-8.5!,f=-9.8!) USER MOD Single : B 31 SER OG : rot -44:sc= 0.737 USER MOD Single : B 37 HIS : no HD1:sc= -7.16! C(o=-7.2!,f=-7.8!) USER MOD Single : C 31 SER OG : rot -28:sc= 0.678 USER MOD Single : C 37 HIS : no HD1:sc= -8.33! C(o=-8.3!,f=-9.7!) USER MOD Single : D 31 SER OG : rot -29:sc= 0.738 USER MOD Single : D 37 HIS : no HD1:sc= -7.4! C(o=-7.4!,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -13.398 4.908 1.939 1.00 0.00 N ATOM 108 CA VAL A 27 -12.397 5.177 2.960 1.00 0.00 C ATOM 109 C VAL A 27 -12.115 3.918 3.770 1.00 0.00 C ATOM 110 O VAL A 27 -10.960 3.582 4.041 1.00 0.00 O ATOM 111 CB VAL A 27 -12.888 6.291 3.884 1.00 0.00 C ATOM 112 CG1 VAL A 27 -11.874 6.504 5.008 1.00 0.00 C ATOM 113 CG2 VAL A 27 -13.042 7.589 3.084 1.00 0.00 C ATOM 0 HA VAL A 27 -11.474 5.493 2.474 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.851 6.011 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.223 7.298 5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.764 5.581 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.911 6.784 4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.392 8.383 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.079 7.870 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.764 7.438 2.282 1.00 0.00 H new ATOM 123 N VAL A 28 -13.182 3.222 4.150 1.00 0.00 N ATOM 124 CA VAL A 28 -13.046 2.000 4.930 1.00 0.00 C ATOM 125 C VAL A 28 -12.257 0.956 4.148 1.00 0.00 C ATOM 126 O VAL A 28 -11.379 0.291 4.695 1.00 0.00 O ATOM 127 CB VAL A 28 -14.427 1.443 5.280 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.270 0.123 6.036 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.175 2.448 6.159 1.00 0.00 C ATOM 0 H VAL A 28 -14.144 3.482 3.932 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.509 2.235 5.849 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.991 1.271 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.255 -0.273 6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.738 -0.594 5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.705 0.294 6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.159 2.051 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.610 2.621 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.289 3.389 5.620 1.00 0.00 H new ATOM 139 N ALA A 29 -12.576 0.820 2.863 1.00 0.00 N ATOM 140 CA ALA A 29 -11.888 -0.146 2.017 1.00 0.00 C ATOM 141 C ALA A 29 -10.394 0.154 1.968 1.00 0.00 C ATOM 142 O ALA A 29 -9.569 -0.756 1.996 1.00 0.00 O ATOM 143 CB ALA A 29 -12.463 -0.103 0.598 1.00 0.00 C ATOM 0 H ALA A 29 -13.300 1.362 2.390 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.036 -1.140 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.943 -0.828 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.525 -0.346 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.331 0.896 0.182 1.00 0.00 H new ATOM 149 N ALA A 30 -10.051 1.433 1.900 1.00 0.00 N ATOM 150 CA ALA A 30 -8.650 1.834 1.850 1.00 0.00 C ATOM 151 C ALA A 30 -7.889 1.269 3.045 1.00 0.00 C ATOM 152 O ALA A 30 -6.795 0.725 2.894 1.00 0.00 O ATOM 153 CB ALA A 30 -8.544 3.358 1.851 1.00 0.00 C ATOM 0 H ALA A 30 -10.717 2.206 1.878 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.211 1.440 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.494 3.650 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.064 3.759 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.998 3.754 2.759 1.00 0.00 H new ATOM 159 N SER A 31 -8.472 1.405 4.231 1.00 0.00 N ATOM 160 CA SER A 31 -7.834 0.901 5.443 1.00 0.00 C ATOM 161 C SER A 31 -7.770 -0.624 5.427 1.00 0.00 C ATOM 162 O SER A 31 -6.776 -1.220 5.840 1.00 0.00 O ATOM 163 CB SER A 31 -8.614 1.363 6.671 1.00 0.00 C ATOM 164 OG SER A 31 -9.950 0.885 6.585 1.00 0.00 O ATOM 0 H SER A 31 -9.375 1.855 4.379 1.00 0.00 H new ATOM 0 HA SER A 31 -6.818 1.294 5.484 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.140 0.990 7.579 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.608 2.451 6.732 1.00 0.00 H new ATOM 0 HG SER A 31 -10.241 0.893 5.649 1.00 0.00 H new ATOM 170 N ILE A 32 -8.842 -1.248 4.947 1.00 0.00 N ATOM 171 CA ILE A 32 -8.906 -2.702 4.876 1.00 0.00 C ATOM 172 C ILE A 32 -7.854 -3.238 3.914 1.00 0.00 C ATOM 173 O ILE A 32 -7.195 -4.232 4.198 1.00 0.00 O ATOM 174 CB ILE A 32 -10.296 -3.157 4.424 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.317 -2.827 5.516 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.287 -4.672 4.172 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.729 -3.066 4.983 1.00 0.00 C ATOM 0 H ILE A 32 -9.675 -0.770 4.603 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.709 -3.098 5.872 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.565 -2.640 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.139 -3.447 6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.206 -1.789 5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.278 -4.993 3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.559 -4.907 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.018 -5.192 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.456 -2.831 5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.904 -2.427 4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.835 -4.111 4.690 1.00 0.00 H new ATOM 189 N ILE A 33 -7.710 -2.582 2.772 1.00 0.00 N ATOM 190 CA ILE A 33 -6.741 -3.022 1.776 1.00 0.00 C ATOM 191 C ILE A 33 -5.328 -2.994 2.348 1.00 0.00 C ATOM 192 O ILE A 33 -4.552 -3.930 2.154 1.00 0.00 O ATOM 193 CB ILE A 33 -6.815 -2.105 0.546 1.00 0.00 C ATOM 194 CG1 ILE A 33 -8.129 -2.350 -0.203 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.629 -2.380 -0.390 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.374 -1.203 -1.186 1.00 0.00 C ATOM 0 H ILE A 33 -8.244 -1.753 2.513 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.980 -4.046 1.488 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.774 -1.067 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.084 -3.299 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.956 -2.421 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.691 -1.724 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.696 -2.192 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.657 -3.419 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.308 -1.375 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.437 -0.262 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.552 -1.154 -1.900 1.00 0.00 H new ATOM 208 N GLY A 34 -4.997 -1.918 3.045 1.00 0.00 N ATOM 209 CA GLY A 34 -3.671 -1.789 3.632 1.00 0.00 C ATOM 210 C GLY A 34 -3.499 -2.718 4.828 1.00 0.00 C ATOM 211 O GLY A 34 -2.498 -3.429 4.935 1.00 0.00 O ATOM 0 H GLY A 34 -5.620 -1.129 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.915 -2.017 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.509 -0.757 3.944 1.00 0.00 H new ATOM 215 N ILE A 35 -4.471 -2.698 5.732 1.00 0.00 N ATOM 216 CA ILE A 35 -4.404 -3.533 6.923 1.00 0.00 C ATOM 217 C ILE A 35 -4.465 -5.012 6.553 1.00 0.00 C ATOM 218 O ILE A 35 -3.699 -5.822 7.071 1.00 0.00 O ATOM 219 CB ILE A 35 -5.571 -3.194 7.858 1.00 0.00 C ATOM 220 CG1 ILE A 35 -5.390 -1.773 8.398 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.598 -4.182 9.031 1.00 0.00 C ATOM 222 CD1 ILE A 35 -6.677 -1.317 9.088 1.00 0.00 C ATOM 0 H ILE A 35 -5.307 -2.118 5.664 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.457 -3.338 7.427 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.508 -3.263 7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.558 -1.744 9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.142 -1.093 7.583 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.429 -3.938 9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.723 -5.196 8.650 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.661 -4.116 9.584 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.545 -0.305 9.471 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.498 -1.329 8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.906 -1.991 9.914 1.00 0.00 H new ATOM 234 N LEU A 36 -5.388 -5.358 5.666 1.00 0.00 N ATOM 235 CA LEU A 36 -5.548 -6.746 5.255 1.00 0.00 C ATOM 236 C LEU A 36 -4.292 -7.252 4.549 1.00 0.00 C ATOM 237 O LEU A 36 -3.816 -8.359 4.816 1.00 0.00 O ATOM 238 CB LEU A 36 -6.752 -6.879 4.312 1.00 0.00 C ATOM 239 CG LEU A 36 -6.999 -8.359 3.980 1.00 0.00 C ATOM 240 CD1 LEU A 36 -7.363 -9.141 5.260 1.00 0.00 C ATOM 241 CD2 LEU A 36 -8.144 -8.463 2.965 1.00 0.00 C ATOM 0 H LEU A 36 -6.032 -4.704 5.221 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.714 -7.348 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.639 -6.450 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.570 -6.318 3.396 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.091 -8.788 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.535 -10.188 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.544 -9.069 5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.267 -8.719 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.324 -9.511 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.048 -8.028 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.875 -7.924 2.056 1.00 0.00 H new ATOM 253 N HIS A 37 -3.766 -6.433 3.648 1.00 0.00 N ATOM 254 CA HIS A 37 -2.572 -6.798 2.900 1.00 0.00 C ATOM 255 C HIS A 37 -1.411 -7.049 3.848 1.00 0.00 C ATOM 256 O HIS A 37 -0.627 -7.976 3.650 1.00 0.00 O ATOM 257 CB HIS A 37 -2.207 -5.685 1.920 1.00 0.00 C ATOM 258 CG HIS A 37 -0.975 -6.081 1.153 1.00 0.00 C ATOM 259 ND1 HIS A 37 -0.981 -6.252 -0.217 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.306 -6.353 1.555 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.259 -6.614 -0.586 1.00 0.00 C ATOM 262 NE2 HIS A 37 1.084 -6.686 0.456 1.00 0.00 N ATOM 0 H HIS A 37 -4.146 -5.515 3.418 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.777 -7.712 2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.034 -5.504 1.233 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.030 -4.754 2.459 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.658 -6.314 2.575 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.551 -6.821 -1.605 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.074 -6.933 0.448 1.00 0.00 H new ATOM 270 N LEU A 38 -1.301 -6.214 4.869 1.00 0.00 N ATOM 271 CA LEU A 38 -0.224 -6.350 5.835 1.00 0.00 C ATOM 272 C LEU A 38 -0.297 -7.688 6.548 1.00 0.00 C ATOM 273 O LEU A 38 0.723 -8.312 6.796 1.00 0.00 O ATOM 274 CB LEU A 38 -0.283 -5.204 6.864 1.00 0.00 C ATOM 275 CG LEU A 38 0.491 -3.983 6.346 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.169 -2.772 7.220 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.015 -4.257 6.379 1.00 0.00 C ATOM 0 H LEU A 38 -1.940 -5.440 5.049 1.00 0.00 H new ATOM 0 HA LEU A 38 0.722 -6.299 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.321 -4.931 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.140 -5.536 7.812 1.00 0.00 H new ATOM 0 HG LEU A 38 0.193 -3.785 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.717 -1.904 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.901 -2.569 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.461 -2.978 8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.550 -3.382 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.325 -4.466 7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.244 -5.116 5.748 1.00 0.00 H new ATOM 289 N ILE A 39 -1.494 -8.122 6.879 1.00 0.00 N ATOM 290 CA ILE A 39 -1.643 -9.385 7.580 1.00 0.00 C ATOM 291 C ILE A 39 -1.050 -10.524 6.753 1.00 0.00 C ATOM 292 O ILE A 39 -0.300 -11.357 7.271 1.00 0.00 O ATOM 293 CB ILE A 39 -3.133 -9.649 7.823 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.674 -8.629 8.832 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.332 -11.065 8.372 1.00 0.00 C ATOM 296 CD1 ILE A 39 -5.202 -8.732 8.913 1.00 0.00 C ATOM 0 H ILE A 39 -2.366 -7.631 6.680 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.114 -9.332 8.531 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.671 -9.553 6.880 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.236 -8.809 9.814 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.384 -7.621 8.534 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.394 -11.244 8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.952 -11.791 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.792 -11.170 9.313 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.578 -8.004 9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.633 -8.530 7.932 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.483 -9.736 9.232 1.00 0.00 H new ATOM 308 N LEU A 40 -1.389 -10.560 5.472 1.00 0.00 N ATOM 309 CA LEU A 40 -0.880 -11.610 4.595 1.00 0.00 C ATOM 310 C LEU A 40 0.596 -11.400 4.285 1.00 0.00 C ATOM 311 O LEU A 40 1.391 -12.339 4.313 1.00 0.00 O ATOM 312 CB LEU A 40 -1.679 -11.624 3.294 1.00 0.00 C ATOM 313 CG LEU A 40 -3.121 -12.070 3.578 1.00 0.00 C ATOM 314 CD1 LEU A 40 -3.984 -11.815 2.338 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.167 -13.571 3.946 1.00 0.00 C ATOM 0 H LEU A 40 -2.006 -9.885 5.020 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.990 -12.566 5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.677 -10.631 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.213 -12.300 2.577 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.507 -11.497 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.008 -12.131 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.972 -10.752 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.587 -12.381 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.198 -13.866 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.773 -14.161 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.563 -13.746 4.836 1.00 0.00 H new ATOM 327 N TRP A 41 0.952 -10.159 3.985 1.00 0.00 N ATOM 328 CA TRP A 41 2.332 -9.828 3.660 1.00 0.00 C ATOM 329 C TRP A 41 3.237 -10.035 4.866 1.00 0.00 C ATOM 330 O TRP A 41 4.392 -10.439 4.725 1.00 0.00 O ATOM 331 CB TRP A 41 2.428 -8.389 3.147 1.00 0.00 C ATOM 332 CG TRP A 41 3.863 -8.029 2.935 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.593 -8.352 1.839 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.733 -7.228 3.782 1.00 0.00 C ATOM 335 NE1 TRP A 41 5.872 -7.850 1.996 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.001 -7.142 3.171 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.553 -6.586 5.019 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.050 -6.448 3.761 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.607 -5.874 5.611 1.00 0.00 C ATOM 340 CH2 TRP A 41 6.851 -5.809 4.981 1.00 0.00 C ATOM 0 H TRP A 41 0.308 -9.368 3.960 1.00 0.00 H new ATOM 0 HA TRP A 41 2.670 -10.498 2.869 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.875 -8.287 2.213 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.973 -7.705 3.863 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.235 -8.909 0.985 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.627 -7.987 1.324 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.597 -6.641 5.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.014 -6.405 3.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.456 -5.375 6.557 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.660 -5.262 5.441 1.00 0.00 H new ATOM 351 N ILE A 42 2.714 -9.745 6.045 1.00 0.00 N ATOM 352 CA ILE A 42 3.490 -9.893 7.264 1.00 0.00 C ATOM 353 C ILE A 42 3.861 -11.353 7.480 1.00 0.00 C ATOM 354 O ILE A 42 4.995 -11.669 7.827 1.00 0.00 O ATOM 355 CB ILE A 42 2.681 -9.368 8.472 1.00 0.00 C ATOM 356 CG1 ILE A 42 2.736 -7.819 8.509 1.00 0.00 C ATOM 357 CG2 ILE A 42 3.248 -9.943 9.785 1.00 0.00 C ATOM 358 CD1 ILE A 42 3.993 -7.342 9.251 1.00 0.00 C ATOM 0 H ILE A 42 1.761 -9.408 6.184 1.00 0.00 H new ATOM 0 HA ILE A 42 4.406 -9.310 7.169 1.00 0.00 H new ATOM 0 HB ILE A 42 1.644 -9.688 8.367 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.735 -7.425 7.493 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.846 -7.429 9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.669 -9.565 10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.187 -11.031 9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.289 -9.640 9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.015 -6.252 9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.977 -7.720 10.273 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.881 -7.715 8.740 1.00 0.00 H new ATOM 370 N LEU A 43 2.895 -12.236 7.286 1.00 0.00 N ATOM 371 CA LEU A 43 3.134 -13.657 7.483 1.00 0.00 C ATOM 372 C LEU A 43 4.212 -14.154 6.532 1.00 0.00 C ATOM 373 O LEU A 43 5.063 -14.958 6.911 1.00 0.00 O ATOM 374 CB LEU A 43 1.839 -14.434 7.249 1.00 0.00 C ATOM 375 CG LEU A 43 0.843 -14.140 8.383 1.00 0.00 C ATOM 376 CD1 LEU A 43 -0.552 -14.621 7.966 1.00 0.00 C ATOM 377 CD2 LEU A 43 1.269 -14.860 9.682 1.00 0.00 C ATOM 0 H LEU A 43 1.947 -11.998 6.995 1.00 0.00 H new ATOM 0 HA LEU A 43 3.473 -13.816 8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.405 -14.154 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.048 -15.503 7.204 1.00 0.00 H new ATOM 0 HG LEU A 43 0.828 -13.066 8.570 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.262 -14.415 8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.862 -14.097 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.524 -15.693 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.552 -14.639 10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.299 -15.936 9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.258 -14.514 9.983 1.00 0.00 H new ATOM 389 N ASP A 44 4.168 -13.671 5.301 1.00 0.00 N ATOM 390 CA ASP A 44 5.146 -14.072 4.301 1.00 0.00 C ATOM 391 C ASP A 44 6.547 -13.639 4.717 1.00 0.00 C ATOM 392 O ASP A 44 7.531 -14.311 4.406 1.00 0.00 O ATOM 393 CB ASP A 44 4.798 -13.449 2.950 1.00 0.00 C ATOM 394 CG ASP A 44 5.650 -14.075 1.852 1.00 0.00 C ATOM 395 OD1 ASP A 44 6.529 -14.855 2.184 1.00 0.00 O ATOM 396 OD2 ASP A 44 5.412 -13.767 0.696 1.00 0.00 O ATOM 0 H ASP A 44 3.470 -13.004 4.971 1.00 0.00 H new ATOM 0 HA ASP A 44 5.124 -15.158 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.741 -13.600 2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.966 -12.372 2.983 1.00 0.00 H new ATOM 630 N VAL B 28 -10.096 7.762 -6.048 1.00 0.00 N ATOM 631 CA VAL B 28 -10.247 6.592 -6.902 1.00 0.00 C ATOM 632 C VAL B 28 -8.890 5.947 -7.163 1.00 0.00 C ATOM 633 O VAL B 28 -8.753 4.725 -7.105 1.00 0.00 O ATOM 634 CB VAL B 28 -10.892 6.991 -8.229 1.00 0.00 C ATOM 635 CG1 VAL B 28 -10.990 5.764 -9.138 1.00 0.00 C ATOM 636 CG2 VAL B 28 -12.295 7.544 -7.970 1.00 0.00 C ATOM 0 HA VAL B 28 -10.888 5.872 -6.394 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.283 7.755 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.450 6.048 -10.084 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -9.992 5.368 -9.324 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.598 5.000 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.754 7.828 -8.917 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -12.904 6.780 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.228 8.418 -7.322 1.00 0.00 H new ATOM 646 N ALA B 29 -7.891 6.775 -7.450 1.00 0.00 N ATOM 647 CA ALA B 29 -6.550 6.272 -7.719 1.00 0.00 C ATOM 648 C ALA B 29 -6.021 5.497 -6.517 1.00 0.00 C ATOM 649 O ALA B 29 -5.387 4.455 -6.670 1.00 0.00 O ATOM 650 CB ALA B 29 -5.606 7.437 -8.027 1.00 0.00 C ATOM 0 H ALA B 29 -7.984 7.789 -7.502 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.598 5.605 -8.580 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.606 7.052 -8.227 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.968 7.977 -8.902 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.571 8.112 -7.172 1.00 0.00 H new ATOM 656 N ALA B 30 -6.291 6.006 -5.321 1.00 0.00 N ATOM 657 CA ALA B 30 -5.834 5.346 -4.103 1.00 0.00 C ATOM 658 C ALA B 30 -6.323 3.903 -4.062 1.00 0.00 C ATOM 659 O ALA B 30 -5.555 2.986 -3.770 1.00 0.00 O ATOM 660 CB ALA B 30 -6.355 6.097 -2.878 1.00 0.00 C ATOM 0 H ALA B 30 -6.819 6.865 -5.168 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.744 5.349 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -6.010 5.599 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.982 7.121 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -7.445 6.107 -2.894 1.00 0.00 H new ATOM 666 N SER B 31 -7.605 3.708 -4.353 1.00 0.00 N ATOM 667 CA SER B 31 -8.182 2.366 -4.346 1.00 0.00 C ATOM 668 C SER B 31 -7.585 1.513 -5.463 1.00 0.00 C ATOM 669 O SER B 31 -7.310 0.327 -5.273 1.00 0.00 O ATOM 670 CB SER B 31 -9.696 2.450 -4.524 1.00 0.00 C ATOM 671 OG SER B 31 -9.988 3.104 -5.752 1.00 0.00 O ATOM 0 H SER B 31 -8.259 4.452 -4.594 1.00 0.00 H new ATOM 0 HA SER B 31 -7.951 1.900 -3.388 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.131 1.450 -4.519 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.142 2.996 -3.693 1.00 0.00 H new ATOM 0 HG SER B 31 -9.408 3.888 -5.851 1.00 0.00 H new ATOM 677 N ILE B 32 -7.387 2.125 -6.623 1.00 0.00 N ATOM 678 CA ILE B 32 -6.821 1.418 -7.766 1.00 0.00 C ATOM 679 C ILE B 32 -5.393 0.976 -7.471 1.00 0.00 C ATOM 680 O ILE B 32 -5.002 -0.138 -7.800 1.00 0.00 O ATOM 681 CB ILE B 32 -6.834 2.312 -9.009 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.282 2.551 -9.445 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.063 1.630 -10.146 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.316 3.626 -10.534 1.00 0.00 C ATOM 0 H ILE B 32 -7.609 3.105 -6.798 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.433 0.536 -7.954 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.359 3.265 -8.775 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.718 1.625 -9.820 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -8.883 2.864 -8.591 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.075 2.270 -11.029 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.032 1.459 -9.835 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.533 0.676 -10.383 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.347 3.797 -10.845 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -7.897 4.553 -10.143 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -7.729 3.295 -11.391 1.00 0.00 H new ATOM 696 N ILE B 33 -4.617 1.860 -6.860 1.00 0.00 N ATOM 697 CA ILE B 33 -3.230 1.542 -6.545 1.00 0.00 C ATOM 698 C ILE B 33 -3.151 0.338 -5.613 1.00 0.00 C ATOM 699 O ILE B 33 -2.332 -0.561 -5.814 1.00 0.00 O ATOM 700 CB ILE B 33 -2.562 2.754 -5.876 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.374 3.872 -6.906 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.199 2.353 -5.293 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.067 5.185 -6.182 1.00 0.00 C ATOM 0 H ILE B 33 -4.918 2.792 -6.575 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.711 1.300 -7.472 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.201 3.109 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.561 3.621 -7.587 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.275 3.979 -7.511 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.736 3.220 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.338 1.567 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.555 1.987 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -1.933 5.981 -6.914 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -2.895 5.437 -5.519 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.154 5.073 -5.597 1.00 0.00 H new ATOM 715 N GLY B 34 -3.994 0.327 -4.592 1.00 0.00 N ATOM 716 CA GLY B 34 -4.000 -0.773 -3.642 1.00 0.00 C ATOM 717 C GLY B 34 -4.594 -2.036 -4.256 1.00 0.00 C ATOM 718 O GLY B 34 -4.023 -3.121 -4.144 1.00 0.00 O ATOM 0 H GLY B 34 -4.677 1.060 -4.401 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.982 -0.973 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -4.575 -0.491 -2.760 1.00 0.00 H new ATOM 722 N ILE B 35 -5.754 -1.892 -4.888 1.00 0.00 N ATOM 723 CA ILE B 35 -6.420 -3.034 -5.499 1.00 0.00 C ATOM 724 C ILE B 35 -5.593 -3.593 -6.653 1.00 0.00 C ATOM 725 O ILE B 35 -5.422 -4.805 -6.775 1.00 0.00 O ATOM 726 CB ILE B 35 -7.798 -2.608 -6.019 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.698 -2.251 -4.832 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.432 -3.762 -6.806 1.00 0.00 C ATOM 729 CD1 ILE B 35 -9.958 -1.546 -5.341 1.00 0.00 C ATOM 0 H ILE B 35 -6.247 -1.005 -4.990 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.532 -3.812 -4.743 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.687 -1.742 -6.672 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.969 -3.153 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.162 -1.604 -4.137 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.411 -3.456 -7.174 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.792 -4.022 -7.649 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.544 -4.629 -6.154 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.599 -1.292 -4.497 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.677 -0.636 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -10.497 -2.208 -6.019 1.00 0.00 H new ATOM 741 N LEU B 36 -5.096 -2.705 -7.503 1.00 0.00 N ATOM 742 CA LEU B 36 -4.307 -3.129 -8.651 1.00 0.00 C ATOM 743 C LEU B 36 -3.026 -3.824 -8.203 1.00 0.00 C ATOM 744 O LEU B 36 -2.650 -4.873 -8.735 1.00 0.00 O ATOM 745 CB LEU B 36 -3.954 -1.915 -9.521 1.00 0.00 C ATOM 746 CG LEU B 36 -3.233 -2.374 -10.799 1.00 0.00 C ATOM 747 CD1 LEU B 36 -4.167 -3.261 -11.650 1.00 0.00 C ATOM 748 CD2 LEU B 36 -2.806 -1.144 -11.607 1.00 0.00 C ATOM 0 H LEU B 36 -5.223 -1.696 -7.421 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.902 -3.834 -9.231 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.860 -1.368 -9.782 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.318 -1.229 -8.961 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.353 -2.957 -10.525 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.644 -3.579 -12.552 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.462 -4.138 -11.073 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.055 -2.693 -11.927 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -2.294 -1.464 -12.514 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.687 -0.560 -11.874 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.133 -0.531 -11.008 1.00 0.00 H new ATOM 760 N HIS B 37 -2.359 -3.230 -7.222 1.00 0.00 N ATOM 761 CA HIS B 37 -1.117 -3.786 -6.705 1.00 0.00 C ATOM 762 C HIS B 37 -1.353 -5.183 -6.155 1.00 0.00 C ATOM 763 O HIS B 37 -0.532 -6.081 -6.338 1.00 0.00 O ATOM 764 CB HIS B 37 -0.557 -2.888 -5.606 1.00 0.00 C ATOM 765 CG HIS B 37 0.728 -3.475 -5.091 1.00 0.00 C ATOM 766 ND1 HIS B 37 1.940 -2.821 -5.210 1.00 0.00 N ATOM 767 CD2 HIS B 37 1.004 -4.660 -4.462 1.00 0.00 C ATOM 768 CE1 HIS B 37 2.882 -3.611 -4.663 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.365 -4.743 -4.190 1.00 0.00 N ATOM 0 H HIS B 37 -2.657 -2.366 -6.770 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.397 -3.844 -7.521 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.382 -1.885 -5.994 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.278 -2.794 -4.794 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.274 -5.416 -4.214 1.00 0.00 H new ATOM 0 HE1 HIS B 37 3.931 -3.357 -4.614 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.860 -5.506 -3.728 1.00 0.00 H new ATOM 777 N LEU B 38 -2.475 -5.361 -5.474 1.00 0.00 N ATOM 778 CA LEU B 38 -2.805 -6.652 -4.893 1.00 0.00 C ATOM 779 C LEU B 38 -2.942 -7.715 -5.967 1.00 0.00 C ATOM 780 O LEU B 38 -2.516 -8.843 -5.778 1.00 0.00 O ATOM 781 CB LEU B 38 -4.114 -6.553 -4.085 1.00 0.00 C ATOM 782 CG LEU B 38 -3.819 -6.103 -2.647 1.00 0.00 C ATOM 783 CD1 LEU B 38 -5.126 -5.709 -1.963 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.142 -7.245 -1.855 1.00 0.00 C ATOM 0 H LEU B 38 -3.169 -4.631 -5.311 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.991 -6.939 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.792 -5.846 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.617 -7.520 -4.075 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.144 -5.247 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.920 -5.389 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.592 -4.891 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.800 -6.565 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.939 -6.911 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.804 -8.111 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.205 -7.519 -2.341 1.00 0.00 H new ATOM 796 N ILE B 39 -3.539 -7.359 -7.085 1.00 0.00 N ATOM 797 CA ILE B 39 -3.723 -8.324 -8.153 1.00 0.00 C ATOM 798 C ILE B 39 -2.374 -8.872 -8.616 1.00 0.00 C ATOM 799 O ILE B 39 -2.204 -10.084 -8.769 1.00 0.00 O ATOM 800 CB ILE B 39 -4.430 -7.640 -9.328 1.00 0.00 C ATOM 801 CG1 ILE B 39 -5.869 -7.290 -8.927 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.451 -8.575 -10.542 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.513 -6.410 -10.004 1.00 0.00 C ATOM 0 H ILE B 39 -3.901 -6.425 -7.278 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.327 -9.153 -7.785 1.00 0.00 H new ATOM 0 HB ILE B 39 -3.891 -6.729 -9.587 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.451 -8.202 -8.795 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -5.872 -6.769 -7.970 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -4.955 -8.081 -11.373 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.429 -8.819 -10.831 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -4.984 -9.491 -10.287 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.534 -6.166 -9.712 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -5.938 -5.491 -10.115 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.525 -6.947 -10.953 1.00 0.00 H new ATOM 815 N LEU B 40 -1.423 -7.977 -8.838 1.00 0.00 N ATOM 816 CA LEU B 40 -0.097 -8.394 -9.285 1.00 0.00 C ATOM 817 C LEU B 40 0.680 -9.062 -8.156 1.00 0.00 C ATOM 818 O LEU B 40 1.332 -10.087 -8.353 1.00 0.00 O ATOM 819 CB LEU B 40 0.679 -7.181 -9.792 1.00 0.00 C ATOM 820 CG LEU B 40 0.019 -6.649 -11.073 1.00 0.00 C ATOM 821 CD1 LEU B 40 0.617 -5.280 -11.420 1.00 0.00 C ATOM 822 CD2 LEU B 40 0.240 -7.628 -12.250 1.00 0.00 C ATOM 0 H LEU B 40 -1.539 -6.971 -8.719 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.221 -9.118 -10.091 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.697 -6.403 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.715 -7.456 -9.991 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.053 -6.552 -10.902 1.00 0.00 H new ATOM 0 HD11 LEU B 40 0.151 -4.899 -12.329 1.00 0.00 H new ATOM 0 HD12 LEU B 40 0.435 -4.585 -10.600 1.00 0.00 H new ATOM 0 HD13 LEU B 40 1.691 -5.381 -11.578 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -0.236 -7.232 -13.147 1.00 0.00 H new ATOM 0 HD22 LEU B 40 1.309 -7.747 -12.428 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -0.197 -8.596 -12.005 1.00 0.00 H new ATOM 834 N TRP B 41 0.608 -8.465 -6.975 1.00 0.00 N ATOM 835 CA TRP B 41 1.313 -8.997 -5.819 1.00 0.00 C ATOM 836 C TRP B 41 0.741 -10.343 -5.403 1.00 0.00 C ATOM 837 O TRP B 41 1.469 -11.225 -4.947 1.00 0.00 O ATOM 838 CB TRP B 41 1.262 -7.998 -4.658 1.00 0.00 C ATOM 839 CG TRP B 41 1.888 -8.608 -3.447 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.220 -8.656 -3.198 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.236 -9.192 -2.285 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.420 -9.289 -1.985 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.228 -9.625 -1.380 1.00 0.00 C ATOM 844 CE3 TRP B 41 -0.111 -9.399 -1.936 1.00 0.00 C ATOM 845 CZ2 TRP B 41 1.898 -10.240 -0.178 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.442 -10.009 -0.718 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.560 -10.428 0.156 1.00 0.00 C ATOM 0 H TRP B 41 0.072 -7.617 -6.793 1.00 0.00 H new ATOM 0 HA TRP B 41 2.356 -9.151 -6.095 1.00 0.00 H new ATOM 0 HB2 TRP B 41 1.787 -7.082 -4.929 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.229 -7.723 -4.447 1.00 0.00 H new ATOM 0 HD1 TRP B 41 3.995 -8.265 -3.840 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.338 -9.484 -1.586 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.895 -9.086 -2.610 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.676 -10.571 0.494 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.479 -10.155 -0.455 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.298 -10.898 1.092 1.00 0.00 H new ATOM 858 N ILE B 42 -0.562 -10.494 -5.555 1.00 0.00 N ATOM 859 CA ILE B 42 -1.217 -11.735 -5.184 1.00 0.00 C ATOM 860 C ILE B 42 -0.712 -12.878 -6.053 1.00 0.00 C ATOM 861 O ILE B 42 -0.428 -13.966 -5.557 1.00 0.00 O ATOM 862 CB ILE B 42 -2.747 -11.590 -5.335 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.322 -10.809 -4.127 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.408 -12.979 -5.425 1.00 0.00 C ATOM 865 CD1 ILE B 42 -3.615 -11.761 -2.960 1.00 0.00 C ATOM 0 H ILE B 42 -1.184 -9.778 -5.930 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.983 -11.958 -4.143 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.960 -11.040 -6.252 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.613 -10.044 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -4.236 -10.294 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.487 -12.862 -5.531 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.014 -13.514 -6.289 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.192 -13.544 -4.519 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.018 -11.194 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.342 -12.510 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -2.693 -12.256 -2.654 1.00 0.00 H new ATOM 877 N LEU B 43 -0.615 -12.629 -7.347 1.00 0.00 N ATOM 878 CA LEU B 43 -0.162 -13.655 -8.273 1.00 0.00 C ATOM 879 C LEU B 43 1.253 -14.098 -7.931 1.00 0.00 C ATOM 880 O LEU B 43 1.574 -15.285 -7.989 1.00 0.00 O ATOM 881 CB LEU B 43 -0.199 -13.114 -9.702 1.00 0.00 C ATOM 882 CG LEU B 43 -1.657 -12.929 -10.150 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.693 -12.060 -11.412 1.00 0.00 C ATOM 884 CD2 LEU B 43 -2.316 -14.296 -10.447 1.00 0.00 C ATOM 0 H LEU B 43 -0.841 -11.733 -7.779 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.827 -14.515 -8.191 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.331 -12.163 -9.755 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.313 -13.802 -10.375 1.00 0.00 H new ATOM 0 HG LEU B 43 -2.211 -12.444 -9.347 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.726 -11.927 -11.733 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.252 -11.087 -11.196 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -1.127 -12.547 -12.206 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -3.348 -14.142 -10.762 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.765 -14.801 -11.241 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.300 -14.911 -9.547 1.00 0.00 H new ATOM 896 N ASP B 44 2.091 -13.138 -7.572 1.00 0.00 N ATOM 897 CA ASP B 44 3.471 -13.436 -7.219 1.00 0.00 C ATOM 898 C ASP B 44 3.529 -14.328 -5.983 1.00 0.00 C ATOM 899 O ASP B 44 4.436 -15.149 -5.843 1.00 0.00 O ATOM 900 CB ASP B 44 4.234 -12.140 -6.952 1.00 0.00 C ATOM 901 CG ASP B 44 5.728 -12.427 -6.852 1.00 0.00 C ATOM 902 OD1 ASP B 44 6.091 -13.592 -6.874 1.00 0.00 O ATOM 903 OD2 ASP B 44 6.489 -11.478 -6.752 1.00 0.00 O ATOM 0 H ASP B 44 1.842 -12.150 -7.517 1.00 0.00 H new ATOM 0 HA ASP B 44 3.933 -13.963 -8.054 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.045 -11.425 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.880 -11.684 -6.028 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.376 14.198 -0.918 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.359 14.067 -1.953 1.00 0.00 C ATOM 1139 C VAL C 28 0.645 12.984 -1.575 1.00 0.00 C ATOM 1140 O VAL C 28 1.024 12.159 -2.406 1.00 0.00 O ATOM 1141 CB VAL C 28 0.370 15.398 -2.146 1.00 0.00 C ATOM 1142 CG1 VAL C 28 1.476 15.227 -3.187 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -0.622 16.459 -2.628 1.00 0.00 C ATOM 0 HA VAL C 28 -0.849 13.787 -2.886 1.00 0.00 H new ATOM 0 HB VAL C 28 0.807 15.712 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.996 16.175 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL C 28 2.184 14.472 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL C 28 1.038 14.912 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.102 17.407 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.060 16.144 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -1.412 16.582 -1.887 1.00 0.00 H new ATOM 1153 N ALA C 29 1.070 12.991 -0.315 1.00 0.00 N ATOM 1154 CA ALA C 29 2.030 12.002 0.160 1.00 0.00 C ATOM 1155 C ALA C 29 1.473 10.593 -0.011 1.00 0.00 C ATOM 1156 O ALA C 29 2.194 9.676 -0.395 1.00 0.00 O ATOM 1157 CB ALA C 29 2.346 12.249 1.638 1.00 0.00 C ATOM 0 H ALA C 29 0.768 13.664 0.389 1.00 0.00 H new ATOM 0 HA ALA C 29 2.943 12.096 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.064 11.506 1.986 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.769 13.246 1.758 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.430 12.171 2.224 1.00 0.00 H new ATOM 1163 N ALA C 30 0.186 10.429 0.270 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.448 9.124 0.141 1.00 0.00 C ATOM 1165 C ALA C 30 -0.258 8.573 -1.268 1.00 0.00 C ATOM 1166 O ALA C 30 0.098 7.408 -1.445 1.00 0.00 O ATOM 1167 CB ALA C 30 -1.943 9.239 0.446 1.00 0.00 C ATOM 0 H ALA C 30 -0.433 11.175 0.586 1.00 0.00 H new ATOM 0 HA ALA C 30 0.018 8.442 0.852 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.411 8.259 0.348 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -2.080 9.606 1.463 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.405 9.934 -0.255 1.00 0.00 H new ATOM 1173 N SER C 31 -0.497 9.416 -2.267 1.00 0.00 N ATOM 1174 CA SER C 31 -0.344 8.997 -3.657 1.00 0.00 C ATOM 1175 C SER C 31 1.121 8.716 -3.979 1.00 0.00 C ATOM 1176 O SER C 31 1.441 7.760 -4.688 1.00 0.00 O ATOM 1177 CB SER C 31 -0.869 10.086 -4.588 1.00 0.00 C ATOM 1178 OG SER C 31 -0.146 11.288 -4.357 1.00 0.00 O ATOM 0 H SER C 31 -0.794 10.384 -2.143 1.00 0.00 H new ATOM 0 HA SER C 31 -0.917 8.081 -3.804 1.00 0.00 H new ATOM 0 HB2 SER C 31 -0.760 9.776 -5.627 1.00 0.00 H new ATOM 0 HB3 SER C 31 -1.933 10.248 -4.414 1.00 0.00 H new ATOM 0 HG SER C 31 0.177 11.303 -3.432 1.00 0.00 H new ATOM 1184 N ILE C 32 2.006 9.556 -3.452 1.00 0.00 N ATOM 1185 CA ILE C 32 3.437 9.393 -3.685 1.00 0.00 C ATOM 1186 C ILE C 32 3.935 8.089 -3.074 1.00 0.00 C ATOM 1187 O ILE C 32 4.722 7.374 -3.684 1.00 0.00 O ATOM 1188 CB ILE C 32 4.213 10.569 -3.085 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.887 11.841 -3.870 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.721 10.290 -3.167 1.00 0.00 C ATOM 1191 CD1 ILE C 32 4.475 13.053 -3.144 1.00 0.00 C ATOM 0 H ILE C 32 1.760 10.352 -2.864 1.00 0.00 H new ATOM 0 HA ILE C 32 3.603 9.366 -4.762 1.00 0.00 H new ATOM 0 HB ILE C 32 3.927 10.698 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE C 32 4.296 11.774 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.807 11.952 -3.971 1.00 0.00 H new ATOM 0 HG21 ILE C 32 6.270 11.129 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.954 9.382 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE C 32 6.011 10.161 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE C 32 4.243 13.960 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE C 32 4.045 13.123 -2.145 1.00 0.00 H new ATOM 0 HD13 ILE C 32 5.556 12.941 -3.066 1.00 0.00 H new ATOM 1203 N ILE C 33 3.480 7.792 -1.865 1.00 0.00 N ATOM 1204 CA ILE C 33 3.907 6.574 -1.187 1.00 0.00 C ATOM 1205 C ILE C 33 3.521 5.342 -1.997 1.00 0.00 C ATOM 1206 O ILE C 33 4.321 4.418 -2.157 1.00 0.00 O ATOM 1207 CB ILE C 33 3.253 6.502 0.201 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.860 7.570 1.115 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.472 5.112 0.815 1.00 0.00 C ATOM 1210 CD1 ILE C 33 2.973 7.743 2.349 1.00 0.00 C ATOM 0 H ILE C 33 2.824 8.368 -1.338 1.00 0.00 H new ATOM 0 HA ILE C 33 4.992 6.596 -1.083 1.00 0.00 H new ATOM 0 HB ILE C 33 2.183 6.681 0.098 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.867 7.279 1.415 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.947 8.516 0.580 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.005 5.071 1.799 1.00 0.00 H new ATOM 0 HG22 ILE C 33 3.026 4.355 0.170 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.541 4.922 0.913 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.402 8.503 3.002 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.975 8.053 2.039 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.909 6.797 2.886 1.00 0.00 H new ATOM 1222 N GLY C 34 2.296 5.326 -2.496 1.00 0.00 N ATOM 1223 CA GLY C 34 1.825 4.196 -3.282 1.00 0.00 C ATOM 1224 C GLY C 34 2.477 4.163 -4.660 1.00 0.00 C ATOM 1225 O GLY C 34 2.970 3.124 -5.100 1.00 0.00 O ATOM 0 H GLY C 34 1.615 6.075 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY C 34 2.042 3.268 -2.753 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.742 4.254 -3.392 1.00 0.00 H new ATOM 1229 N ILE C 35 2.466 5.303 -5.342 1.00 0.00 N ATOM 1230 CA ILE C 35 3.047 5.383 -6.674 1.00 0.00 C ATOM 1231 C ILE C 35 4.554 5.152 -6.625 1.00 0.00 C ATOM 1232 O ILE C 35 5.103 4.410 -7.437 1.00 0.00 O ATOM 1233 CB ILE C 35 2.764 6.764 -7.278 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.260 6.909 -7.527 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.514 6.910 -8.608 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.933 8.371 -7.840 1.00 0.00 C ATOM 0 H ILE C 35 2.065 6.175 -4.998 1.00 0.00 H new ATOM 0 HA ILE C 35 2.595 4.607 -7.293 1.00 0.00 H new ATOM 0 HB ILE C 35 3.100 7.537 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.955 6.271 -8.357 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.702 6.580 -6.650 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.311 7.892 -9.034 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.585 6.804 -8.435 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.180 6.138 -9.301 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.137 8.474 -8.017 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.223 8.997 -6.997 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.480 8.684 -8.729 1.00 0.00 H new ATOM 1248 N LEU C 36 5.216 5.799 -5.676 1.00 0.00 N ATOM 1249 CA LEU C 36 6.661 5.664 -5.548 1.00 0.00 C ATOM 1250 C LEU C 36 7.046 4.226 -5.216 1.00 0.00 C ATOM 1251 O LEU C 36 7.983 3.668 -5.796 1.00 0.00 O ATOM 1252 CB LEU C 36 7.179 6.600 -4.449 1.00 0.00 C ATOM 1253 CG LEU C 36 8.714 6.555 -4.398 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.309 7.075 -5.725 1.00 0.00 C ATOM 1255 CD2 LEU C 36 9.207 7.421 -3.232 1.00 0.00 C ATOM 0 H LEU C 36 4.782 6.416 -4.990 1.00 0.00 H new ATOM 0 HA LEU C 36 7.114 5.934 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.843 7.619 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.766 6.304 -3.484 1.00 0.00 H new ATOM 0 HG LEU C 36 9.038 5.525 -4.252 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.397 7.038 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU C 36 8.962 6.451 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.988 8.104 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU C 36 10.296 7.392 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.877 8.449 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.799 7.038 -2.297 1.00 0.00 H new ATOM 1267 N HIS C 37 6.319 3.634 -4.278 1.00 0.00 N ATOM 1268 CA HIS C 37 6.587 2.265 -3.864 1.00 0.00 C ATOM 1269 C HIS C 37 6.447 1.318 -5.043 1.00 0.00 C ATOM 1270 O HIS C 37 7.233 0.384 -5.200 1.00 0.00 O ATOM 1271 CB HIS C 37 5.623 1.854 -2.754 1.00 0.00 C ATOM 1272 CG HIS C 37 5.917 0.441 -2.337 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.339 0.118 -1.062 1.00 0.00 N ATOM 1274 CD2 HIS C 37 5.865 -0.745 -3.020 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.524 -1.213 -1.019 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.246 -1.788 -2.186 1.00 0.00 N ATOM 0 H HIS C 37 5.541 4.080 -3.791 1.00 0.00 H new ATOM 0 HA HIS C 37 7.609 2.211 -3.488 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.725 2.525 -1.901 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.593 1.935 -3.102 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.571 -0.853 -4.054 1.00 0.00 H new ATOM 0 HE1 HIS C 37 6.858 -1.750 -0.143 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.301 -2.780 -2.418 1.00 0.00 H new ATOM 1284 N LEU C 38 5.437 1.557 -5.867 1.00 0.00 N ATOM 1285 CA LEU C 38 5.198 0.711 -7.025 1.00 0.00 C ATOM 1286 C LEU C 38 6.377 0.750 -7.978 1.00 0.00 C ATOM 1287 O LEU C 38 6.751 -0.268 -8.540 1.00 0.00 O ATOM 1288 CB LEU C 38 3.917 1.162 -7.756 1.00 0.00 C ATOM 1289 CG LEU C 38 2.686 0.479 -7.142 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.418 1.157 -7.663 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.662 -1.025 -7.511 1.00 0.00 C ATOM 0 H LEU C 38 4.774 2.325 -5.756 1.00 0.00 H new ATOM 0 HA LEU C 38 5.071 -0.314 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.813 2.245 -7.687 1.00 0.00 H new ATOM 0 HB3 LEU C 38 3.988 0.915 -8.815 1.00 0.00 H new ATOM 0 HG LEU C 38 2.734 0.571 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.543 0.674 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.428 2.210 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.379 1.070 -8.749 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.784 -1.494 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.624 -1.133 -8.595 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.562 -1.508 -7.130 1.00 0.00 H new ATOM 1303 N ILE C 39 6.956 1.918 -8.164 1.00 0.00 N ATOM 1304 CA ILE C 39 8.080 2.038 -9.075 1.00 0.00 C ATOM 1305 C ILE C 39 9.221 1.121 -8.637 1.00 0.00 C ATOM 1306 O ILE C 39 9.792 0.390 -9.450 1.00 0.00 O ATOM 1307 CB ILE C 39 8.566 3.491 -9.083 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.499 4.382 -9.727 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.873 3.601 -9.876 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.870 5.859 -9.542 1.00 0.00 C ATOM 0 H ILE C 39 6.675 2.785 -7.706 1.00 0.00 H new ATOM 0 HA ILE C 39 7.761 1.746 -10.075 1.00 0.00 H new ATOM 0 HB ILE C 39 8.743 3.815 -8.058 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.412 4.150 -10.789 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.527 4.183 -9.276 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.212 4.637 -9.877 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.633 2.971 -9.414 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.705 3.273 -10.902 1.00 0.00 H new ATOM 0 HD11 ILE C 39 7.107 6.486 -10.002 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.934 6.088 -8.478 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.833 6.054 -10.014 1.00 0.00 H new ATOM 1322 N LEU C 40 9.550 1.164 -7.353 1.00 0.00 N ATOM 1323 CA LEU C 40 10.627 0.329 -6.831 1.00 0.00 C ATOM 1324 C LEU C 40 10.209 -1.134 -6.765 1.00 0.00 C ATOM 1325 O LEU C 40 10.969 -2.029 -7.134 1.00 0.00 O ATOM 1326 CB LEU C 40 11.019 0.812 -5.436 1.00 0.00 C ATOM 1327 CG LEU C 40 11.667 2.201 -5.535 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.796 2.802 -4.131 1.00 0.00 C ATOM 1329 CD2 LEU C 40 13.064 2.109 -6.193 1.00 0.00 C ATOM 0 H LEU C 40 9.095 1.759 -6.661 1.00 0.00 H new ATOM 0 HA LEU C 40 11.479 0.410 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.139 0.855 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.713 0.107 -4.978 1.00 0.00 H new ATOM 0 HG LEU C 40 11.036 2.839 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU C 40 12.256 3.788 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.807 2.893 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU C 40 12.417 2.153 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU C 40 13.504 3.104 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU C 40 13.706 1.463 -5.594 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.967 1.694 -7.196 1.00 0.00 H new ATOM 1341 N TRP C 41 8.996 -1.368 -6.284 1.00 0.00 N ATOM 1342 CA TRP C 41 8.482 -2.723 -6.161 1.00 0.00 C ATOM 1343 C TRP C 41 8.298 -3.362 -7.530 1.00 0.00 C ATOM 1344 O TRP C 41 8.499 -4.565 -7.698 1.00 0.00 O ATOM 1345 CB TRP C 41 7.168 -2.724 -5.378 1.00 0.00 C ATOM 1346 CG TRP C 41 6.595 -4.105 -5.365 1.00 0.00 C ATOM 1347 CD1 TRP C 41 6.970 -5.096 -4.521 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.508 -4.643 -6.168 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.224 -6.224 -4.803 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.303 -5.989 -5.800 1.00 0.00 C ATOM 1351 CE3 TRP C 41 4.698 -4.104 -7.182 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.335 -6.772 -6.412 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 3.709 -4.892 -7.793 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.533 -6.222 -7.408 1.00 0.00 C ATOM 0 H TRP C 41 8.352 -0.640 -5.974 1.00 0.00 H new ATOM 0 HA TRP C 41 9.211 -3.318 -5.611 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.340 -2.381 -4.358 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.461 -2.030 -5.833 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.727 -5.017 -3.755 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.341 -7.121 -4.331 1.00 0.00 H new ATOM 0 HE3 TRP C 41 4.837 -3.079 -7.493 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.204 -7.803 -6.117 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.082 -4.467 -8.563 1.00 0.00 H new ATOM 0 HH2 TRP C 41 2.774 -6.825 -7.883 1.00 0.00 H new ATOM 1365 N ILE C 42 7.905 -2.555 -8.500 1.00 0.00 N ATOM 1366 CA ILE C 42 7.686 -3.056 -9.848 1.00 0.00 C ATOM 1367 C ILE C 42 8.991 -3.574 -10.436 1.00 0.00 C ATOM 1368 O ILE C 42 9.025 -4.640 -11.047 1.00 0.00 O ATOM 1369 CB ILE C 42 7.110 -1.936 -10.741 1.00 0.00 C ATOM 1370 CG1 ILE C 42 5.597 -1.762 -10.456 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.325 -2.274 -12.229 1.00 0.00 C ATOM 1372 CD1 ILE C 42 4.773 -2.746 -11.298 1.00 0.00 C ATOM 0 H ILE C 42 7.732 -1.557 -8.382 1.00 0.00 H new ATOM 0 HA ILE C 42 6.971 -3.878 -9.805 1.00 0.00 H new ATOM 0 HB ILE C 42 7.629 -1.005 -10.514 1.00 0.00 H new ATOM 0 HG12 ILE C 42 5.399 -1.927 -9.397 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.294 -0.739 -10.681 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.914 -1.475 -12.847 1.00 0.00 H new ATOM 0 HG22 ILE C 42 8.392 -2.375 -12.429 1.00 0.00 H new ATOM 0 HG23 ILE C 42 6.822 -3.211 -12.466 1.00 0.00 H new ATOM 0 HD11 ILE C 42 3.713 -2.609 -11.084 1.00 0.00 H new ATOM 0 HD12 ILE C 42 4.957 -2.562 -12.356 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.064 -3.767 -11.052 1.00 0.00 H new ATOM 1384 N LEU C 43 10.055 -2.810 -10.260 1.00 0.00 N ATOM 1385 CA LEU C 43 11.349 -3.201 -10.797 1.00 0.00 C ATOM 1386 C LEU C 43 11.802 -4.520 -10.194 1.00 0.00 C ATOM 1387 O LEU C 43 12.351 -5.376 -10.889 1.00 0.00 O ATOM 1388 CB LEU C 43 12.381 -2.115 -10.494 1.00 0.00 C ATOM 1389 CG LEU C 43 12.077 -0.861 -11.330 1.00 0.00 C ATOM 1390 CD1 LEU C 43 12.870 0.325 -10.768 1.00 0.00 C ATOM 1391 CD2 LEU C 43 12.463 -1.084 -12.810 1.00 0.00 C ATOM 0 H LEU C 43 10.051 -1.924 -9.755 1.00 0.00 H new ATOM 0 HA LEU C 43 11.255 -3.325 -11.876 1.00 0.00 H new ATOM 0 HB2 LEU C 43 12.363 -1.869 -9.432 1.00 0.00 H new ATOM 0 HB3 LEU C 43 13.383 -2.480 -10.719 1.00 0.00 H new ATOM 0 HG LEU C 43 11.008 -0.654 -11.278 1.00 0.00 H new ATOM 0 HD11 LEU C 43 12.658 1.217 -11.358 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.580 0.498 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.936 0.105 -10.815 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.240 -0.185 -13.384 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.528 -1.303 -12.879 1.00 0.00 H new ATOM 0 HD23 LEU C 43 11.893 -1.922 -13.212 1.00 0.00 H new ATOM 1403 N ASP C 44 11.571 -4.679 -8.901 1.00 0.00 N ATOM 1404 CA ASP C 44 11.959 -5.899 -8.210 1.00 0.00 C ATOM 1405 C ASP C 44 11.208 -7.100 -8.778 1.00 0.00 C ATOM 1406 O ASP C 44 11.734 -8.213 -8.811 1.00 0.00 O ATOM 1407 CB ASP C 44 11.659 -5.773 -6.717 1.00 0.00 C ATOM 1408 CG ASP C 44 12.311 -6.923 -5.956 1.00 0.00 C ATOM 1409 OD1 ASP C 44 12.851 -7.806 -6.603 1.00 0.00 O ATOM 1410 OD2 ASP C 44 12.260 -6.906 -4.738 1.00 0.00 O ATOM 0 H ASP C 44 11.118 -3.982 -8.310 1.00 0.00 H new ATOM 0 HA ASP C 44 13.029 -6.049 -8.355 1.00 0.00 H new ATOM 0 HB2 ASP C 44 12.032 -4.820 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP C 44 10.582 -5.781 -6.552 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.008 9.116 8.481 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.050 9.683 7.545 1.00 0.00 C ATOM 1630 C VAL D 27 -4.624 9.432 8.027 1.00 0.00 C ATOM 1631 O VAL D 27 -3.750 9.042 7.250 1.00 0.00 O ATOM 1632 CB VAL D 27 -6.296 11.183 7.400 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -5.225 11.788 6.495 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -7.677 11.419 6.782 1.00 0.00 C ATOM 0 HA VAL D 27 -6.179 9.203 6.575 1.00 0.00 H new ATOM 0 HB VAL D 27 -6.253 11.654 8.382 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -5.399 12.859 6.391 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -4.241 11.622 6.934 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -5.269 11.316 5.514 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -7.851 12.490 6.679 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -7.721 10.948 5.800 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -8.443 10.987 7.426 1.00 0.00 H new ATOM 1644 N VAL D 28 -4.402 9.655 9.317 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.082 9.453 9.900 1.00 0.00 C ATOM 1646 C VAL D 28 -2.659 7.995 9.759 1.00 0.00 C ATOM 1647 O VAL D 28 -1.518 7.702 9.403 1.00 0.00 O ATOM 1648 CB VAL D 28 -3.095 9.844 11.379 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -1.723 9.568 11.991 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -3.421 11.332 11.511 1.00 0.00 C ATOM 0 H VAL D 28 -5.114 9.973 9.975 1.00 0.00 H new ATOM 0 HA VAL D 28 -2.368 10.083 9.369 1.00 0.00 H new ATOM 0 HB VAL D 28 -3.851 9.259 11.902 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -1.732 9.847 13.045 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -1.490 8.507 11.898 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -0.967 10.153 11.468 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -3.430 11.610 12.565 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -2.665 11.918 10.988 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -4.400 11.530 11.075 1.00 0.00 H new ATOM 1660 N ALA D 29 -3.585 7.085 10.040 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.296 5.659 9.941 1.00 0.00 C ATOM 1662 C ALA D 29 -2.875 5.299 8.521 1.00 0.00 C ATOM 1663 O ALA D 29 -1.960 4.506 8.318 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.533 4.844 10.328 1.00 0.00 C ATOM 0 H ALA D 29 -4.536 7.307 10.336 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.480 5.425 10.624 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.307 3.781 10.251 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.819 5.081 11.353 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.355 5.090 9.656 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.545 5.890 7.538 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.226 5.617 6.142 1.00 0.00 C ATOM 1672 C ALA D 30 -1.754 5.899 5.865 1.00 0.00 C ATOM 1673 O ALA D 30 -1.068 5.095 5.233 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.093 6.488 5.233 1.00 0.00 C ATOM 0 H ALA D 30 -4.305 6.555 7.680 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.427 4.565 5.940 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -3.851 6.280 4.191 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.145 6.266 5.412 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -3.902 7.540 5.447 1.00 0.00 H new ATOM 1680 N SER D 31 -1.275 7.044 6.339 1.00 0.00 N ATOM 1681 CA SER D 31 0.122 7.415 6.132 1.00 0.00 C ATOM 1682 C SER D 31 1.050 6.480 6.902 1.00 0.00 C ATOM 1683 O SER D 31 2.112 6.096 6.407 1.00 0.00 O ATOM 1684 CB SER D 31 0.351 8.853 6.596 1.00 0.00 C ATOM 1685 OG SER D 31 0.011 8.962 7.971 1.00 0.00 O ATOM 0 H SER D 31 -1.825 7.725 6.863 1.00 0.00 H new ATOM 0 HA SER D 31 0.345 7.332 5.068 1.00 0.00 H new ATOM 0 HB2 SER D 31 1.393 9.135 6.444 1.00 0.00 H new ATOM 0 HB3 SER D 31 -0.255 9.539 6.004 1.00 0.00 H new ATOM 0 HG SER D 31 -0.685 8.307 8.189 1.00 0.00 H new ATOM 1691 N ILE D 32 0.644 6.119 8.114 1.00 0.00 N ATOM 1692 CA ILE D 32 1.441 5.227 8.946 1.00 0.00 C ATOM 1693 C ILE D 32 1.550 3.849 8.304 1.00 0.00 C ATOM 1694 O ILE D 32 2.617 3.245 8.301 1.00 0.00 O ATOM 1695 CB ILE D 32 0.818 5.098 10.340 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.938 6.435 11.072 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.554 4.011 11.136 1.00 0.00 C ATOM 1698 CD1 ILE D 32 0.116 6.387 12.360 1.00 0.00 C ATOM 0 H ILE D 32 -0.229 6.429 8.541 1.00 0.00 H new ATOM 0 HA ILE D 32 2.440 5.653 9.039 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.233 4.825 10.245 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.983 6.643 11.302 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.585 7.244 10.433 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.109 3.921 12.127 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.471 3.058 10.613 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.606 4.281 11.234 1.00 0.00 H new ATOM 0 HD11 ILE D 32 0.202 7.340 12.882 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -0.930 6.199 12.117 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.489 5.588 13.000 1.00 0.00 H new ATOM 1710 N ILE D 33 0.441 3.355 7.775 1.00 0.00 N ATOM 1711 CA ILE D 33 0.434 2.039 7.149 1.00 0.00 C ATOM 1712 C ILE D 33 1.405 1.993 5.974 1.00 0.00 C ATOM 1713 O ILE D 33 2.164 1.036 5.822 1.00 0.00 O ATOM 1714 CB ILE D 33 -0.984 1.708 6.657 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.901 1.463 7.860 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.957 0.459 5.764 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -3.362 1.507 7.403 1.00 0.00 C ATOM 0 H ILE D 33 -0.457 3.838 7.765 1.00 0.00 H new ATOM 0 HA ILE D 33 0.749 1.303 7.889 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.363 2.549 6.076 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.678 0.496 8.310 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.725 2.219 8.625 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.967 0.235 5.422 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.314 0.641 4.903 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.570 -0.387 6.333 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -4.016 1.333 8.258 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.579 2.485 6.973 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -3.532 0.735 6.653 1.00 0.00 H new ATOM 1729 N GLY D 34 1.373 3.026 5.146 1.00 0.00 N ATOM 1730 CA GLY D 34 2.256 3.081 3.990 1.00 0.00 C ATOM 1731 C GLY D 34 3.698 3.347 4.405 1.00 0.00 C ATOM 1732 O GLY D 34 4.619 2.662 3.957 1.00 0.00 O ATOM 0 H GLY D 34 0.753 3.829 5.250 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.201 2.140 3.443 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.921 3.865 3.311 1.00 0.00 H new ATOM 1736 N ILE D 35 3.891 4.353 5.250 1.00 0.00 N ATOM 1737 CA ILE D 35 5.228 4.707 5.702 1.00 0.00 C ATOM 1738 C ILE D 35 5.839 3.582 6.533 1.00 0.00 C ATOM 1739 O ILE D 35 7.001 3.224 6.350 1.00 0.00 O ATOM 1740 CB ILE D 35 5.168 5.987 6.544 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.758 7.161 5.653 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.546 6.268 7.153 1.00 0.00 C ATOM 1743 CD1 ILE D 35 4.423 8.373 6.525 1.00 0.00 C ATOM 0 H ILE D 35 3.144 4.933 5.633 1.00 0.00 H new ATOM 0 HA ILE D 35 5.853 4.870 4.824 1.00 0.00 H new ATOM 0 HB ILE D 35 4.438 5.861 7.344 1.00 0.00 H new ATOM 0 HG12 ILE D 35 5.566 7.408 4.964 1.00 0.00 H new ATOM 0 HG13 ILE D 35 3.895 6.887 5.047 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.501 7.178 7.751 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.841 5.432 7.787 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.278 6.394 6.355 1.00 0.00 H new ATOM 0 HD11 ILE D 35 4.131 9.209 5.889 1.00 0.00 H new ATOM 0 HD12 ILE D 35 3.601 8.123 7.196 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.298 8.652 7.112 1.00 0.00 H new ATOM 1755 N LEU D 36 5.055 3.041 7.454 1.00 0.00 N ATOM 1756 CA LEU D 36 5.540 1.972 8.316 1.00 0.00 C ATOM 1757 C LEU D 36 5.891 0.731 7.500 1.00 0.00 C ATOM 1758 O LEU D 36 6.932 0.103 7.713 1.00 0.00 O ATOM 1759 CB LEU D 36 4.474 1.614 9.359 1.00 0.00 C ATOM 1760 CG LEU D 36 5.028 0.576 10.348 1.00 0.00 C ATOM 1761 CD1 LEU D 36 6.220 1.169 11.133 1.00 0.00 C ATOM 1762 CD2 LEU D 36 3.919 0.161 11.320 1.00 0.00 C ATOM 0 H LEU D 36 4.089 3.321 7.623 1.00 0.00 H new ATOM 0 HA LEU D 36 6.440 2.325 8.820 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.165 2.510 9.896 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.588 1.218 8.863 1.00 0.00 H new ATOM 0 HG LEU D 36 5.375 -0.297 9.795 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.603 0.424 11.830 1.00 0.00 H new ATOM 0 HD12 LEU D 36 7.009 1.454 10.437 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.890 2.048 11.687 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.308 -0.575 12.023 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.569 1.036 11.868 1.00 0.00 H new ATOM 0 HD23 LEU D 36 3.090 -0.273 10.762 1.00 0.00 H new ATOM 1774 N HIS D 37 5.012 0.384 6.569 1.00 0.00 N ATOM 1775 CA HIS D 37 5.225 -0.782 5.725 1.00 0.00 C ATOM 1776 C HIS D 37 6.510 -0.632 4.929 1.00 0.00 C ATOM 1777 O HIS D 37 7.260 -1.592 4.752 1.00 0.00 O ATOM 1778 CB HIS D 37 4.045 -0.963 4.774 1.00 0.00 C ATOM 1779 CG HIS D 37 4.280 -2.177 3.917 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.452 -3.284 3.958 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.251 -2.475 2.999 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.938 -4.186 3.088 1.00 0.00 C ATOM 1783 NE2 HIS D 37 5.033 -3.742 2.475 1.00 0.00 N ATOM 0 H HIS D 37 4.148 0.892 6.380 1.00 0.00 H new ATOM 0 HA HIS D 37 5.308 -1.662 6.363 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.121 -1.077 5.340 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.929 -0.078 4.148 1.00 0.00 H new ATOM 0 HD2 HIS D 37 6.066 -1.822 2.723 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.494 -5.154 2.908 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.591 -4.227 1.773 1.00 0.00 H new ATOM 1791 N LEU D 38 6.757 0.576 4.443 1.00 0.00 N ATOM 1792 CA LEU D 38 7.953 0.838 3.657 1.00 0.00 C ATOM 1793 C LEU D 38 9.206 0.588 4.474 1.00 0.00 C ATOM 1794 O LEU D 38 10.180 0.057 3.964 1.00 0.00 O ATOM 1795 CB LEU D 38 7.942 2.291 3.143 1.00 0.00 C ATOM 1796 CG LEU D 38 7.178 2.380 1.814 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.903 3.847 1.488 1.00 0.00 C ATOM 1798 CD2 LEU D 38 8.005 1.745 0.673 1.00 0.00 C ATOM 0 H LEU D 38 6.150 1.384 4.578 1.00 0.00 H new ATOM 0 HA LEU D 38 7.956 0.156 2.807 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.476 2.942 3.883 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.964 2.644 3.007 1.00 0.00 H new ATOM 0 HG LEU D 38 6.237 1.838 1.909 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.361 3.915 0.545 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.304 4.290 2.284 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.848 4.384 1.403 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.450 1.816 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.953 2.274 0.573 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.197 0.697 0.902 1.00 0.00 H new ATOM 1810 N ILE D 39 9.185 0.975 5.732 1.00 0.00 N ATOM 1811 CA ILE D 39 10.351 0.786 6.572 1.00 0.00 C ATOM 1812 C ILE D 39 10.721 -0.694 6.646 1.00 0.00 C ATOM 1813 O ILE D 39 11.887 -1.063 6.485 1.00 0.00 O ATOM 1814 CB ILE D 39 10.045 1.309 7.980 1.00 0.00 C ATOM 1815 CG1 ILE D 39 9.891 2.834 7.936 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.182 0.937 8.938 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.362 3.346 9.283 1.00 0.00 C ATOM 0 H ILE D 39 8.388 1.416 6.191 1.00 0.00 H new ATOM 0 HA ILE D 39 11.191 1.334 6.145 1.00 0.00 H new ATOM 0 HB ILE D 39 9.119 0.857 8.335 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.851 3.299 7.712 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.207 3.116 7.136 1.00 0.00 H new ATOM 0 HG21 ILE D 39 10.955 1.313 9.936 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.287 -0.147 8.974 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.114 1.380 8.586 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.255 4.430 9.244 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.392 2.893 9.489 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.062 3.079 10.074 1.00 0.00 H new ATOM 1829 N LEU D 40 9.727 -1.536 6.891 1.00 0.00 N ATOM 1830 CA LEU D 40 9.972 -2.971 6.985 1.00 0.00 C ATOM 1831 C LEU D 40 10.259 -3.572 5.615 1.00 0.00 C ATOM 1832 O LEU D 40 11.169 -4.384 5.456 1.00 0.00 O ATOM 1833 CB LEU D 40 8.755 -3.662 7.600 1.00 0.00 C ATOM 1834 CG LEU D 40 8.609 -3.234 9.068 1.00 0.00 C ATOM 1835 CD1 LEU D 40 7.249 -3.700 9.598 1.00 0.00 C ATOM 1836 CD2 LEU D 40 9.741 -3.842 9.930 1.00 0.00 C ATOM 0 H LEU D 40 8.755 -1.257 7.027 1.00 0.00 H new ATOM 0 HA LEU D 40 10.846 -3.126 7.618 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.855 -3.401 7.043 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.867 -4.744 7.535 1.00 0.00 H new ATOM 0 HG LEU D 40 8.677 -2.148 9.127 1.00 0.00 H new ATOM 0 HD11 LEU D 40 7.142 -3.398 10.640 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.453 -3.248 9.005 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.183 -4.786 9.526 1.00 0.00 H new ATOM 0 HD21 LEU D 40 9.619 -3.526 10.966 1.00 0.00 H new ATOM 0 HD22 LEU D 40 9.697 -4.930 9.874 1.00 0.00 H new ATOM 0 HD23 LEU D 40 10.706 -3.499 9.558 1.00 0.00 H new ATOM 1848 N TRP D 41 9.469 -3.168 4.630 1.00 0.00 N ATOM 1849 CA TRP D 41 9.634 -3.675 3.277 1.00 0.00 C ATOM 1850 C TRP D 41 10.960 -3.221 2.684 1.00 0.00 C ATOM 1851 O TRP D 41 11.592 -3.953 1.921 1.00 0.00 O ATOM 1852 CB TRP D 41 8.461 -3.233 2.396 1.00 0.00 C ATOM 1853 CG TRP D 41 8.707 -3.663 0.986 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.463 -4.902 0.495 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.167 -2.863 -0.139 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.806 -4.924 -0.844 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.233 -3.689 -1.281 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.545 -1.516 -0.275 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.657 -3.198 -2.511 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 9.962 -1.019 -1.519 1.00 0.00 C ATOM 1861 CH2 TRP D 41 10.017 -1.859 -2.632 1.00 0.00 C ATOM 0 H TRP D 41 8.712 -2.494 4.742 1.00 0.00 H new ATOM 0 HA TRP D 41 9.643 -4.764 3.317 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.532 -3.669 2.763 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.345 -2.150 2.442 1.00 0.00 H new ATOM 0 HD1 TRP D 41 8.066 -5.735 1.057 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.750 -5.753 -1.436 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.514 -0.860 0.583 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.707 -3.853 -3.368 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.242 0.020 -1.616 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.339 -1.470 -3.587 1.00 0.00 H new ATOM 1872 N ILE D 42 11.369 -2.014 3.027 1.00 0.00 N ATOM 1873 CA ILE D 42 12.616 -1.473 2.513 1.00 0.00 C ATOM 1874 C ILE D 42 13.791 -2.309 2.999 1.00 0.00 C ATOM 1875 O ILE D 42 14.696 -2.628 2.232 1.00 0.00 O ATOM 1876 CB ILE D 42 12.783 -0.007 2.968 1.00 0.00 C ATOM 1877 CG1 ILE D 42 11.907 0.918 2.088 1.00 0.00 C ATOM 1878 CG2 ILE D 42 14.261 0.418 2.865 1.00 0.00 C ATOM 1879 CD1 ILE D 42 12.655 1.317 0.809 1.00 0.00 C ATOM 0 H ILE D 42 10.861 -1.392 3.655 1.00 0.00 H new ATOM 0 HA ILE D 42 12.591 -1.504 1.424 1.00 0.00 H new ATOM 0 HB ILE D 42 12.465 0.078 4.007 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.979 0.409 1.829 1.00 0.00 H new ATOM 0 HG13 ILE D 42 11.635 1.812 2.650 1.00 0.00 H new ATOM 0 HG21 ILE D 42 14.365 1.454 3.189 1.00 0.00 H new ATOM 0 HG22 ILE D 42 14.869 -0.224 3.502 1.00 0.00 H new ATOM 0 HG23 ILE D 42 14.595 0.326 1.832 1.00 0.00 H new ATOM 0 HD11 ILE D 42 12.022 1.967 0.205 1.00 0.00 H new ATOM 0 HD12 ILE D 42 13.571 1.846 1.073 1.00 0.00 H new ATOM 0 HD13 ILE D 42 12.905 0.422 0.239 1.00 0.00 H new ATOM 1891 N LEU D 43 13.778 -2.648 4.277 1.00 0.00 N ATOM 1892 CA LEU D 43 14.862 -3.429 4.852 1.00 0.00 C ATOM 1893 C LEU D 43 14.967 -4.784 4.169 1.00 0.00 C ATOM 1894 O LEU D 43 16.065 -5.270 3.901 1.00 0.00 O ATOM 1895 CB LEU D 43 14.617 -3.624 6.347 1.00 0.00 C ATOM 1896 CG LEU D 43 14.793 -2.287 7.085 1.00 0.00 C ATOM 1897 CD1 LEU D 43 14.199 -2.401 8.492 1.00 0.00 C ATOM 1898 CD2 LEU D 43 16.290 -1.913 7.188 1.00 0.00 C ATOM 0 H LEU D 43 13.037 -2.398 4.932 1.00 0.00 H new ATOM 0 HA LEU D 43 15.798 -2.890 4.702 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.611 -4.011 6.512 1.00 0.00 H new ATOM 0 HB3 LEU D 43 15.312 -4.363 6.745 1.00 0.00 H new ATOM 0 HG LEU D 43 14.276 -1.508 6.524 1.00 0.00 H new ATOM 0 HD11 LEU D 43 14.323 -1.454 9.017 1.00 0.00 H new ATOM 0 HD12 LEU D 43 13.138 -2.640 8.421 1.00 0.00 H new ATOM 0 HD13 LEU D 43 14.713 -3.190 9.041 1.00 0.00 H new ATOM 0 HD21 LEU D 43 16.393 -0.964 7.714 1.00 0.00 H new ATOM 0 HD22 LEU D 43 16.822 -2.690 7.736 1.00 0.00 H new ATOM 0 HD23 LEU D 43 16.712 -1.821 6.187 1.00 0.00 H new ATOM 1910 N ASP D 44 13.821 -5.382 3.887 1.00 0.00 N ATOM 1911 CA ASP D 44 13.791 -6.682 3.234 1.00 0.00 C ATOM 1912 C ASP D 44 14.408 -6.596 1.840 1.00 0.00 C ATOM 1913 O ASP D 44 15.015 -7.553 1.362 1.00 0.00 O ATOM 1914 CB ASP D 44 12.350 -7.181 3.123 1.00 0.00 C ATOM 1915 CG ASP D 44 12.338 -8.643 2.691 1.00 0.00 C ATOM 1916 OD1 ASP D 44 13.400 -9.159 2.385 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.266 -9.224 2.675 1.00 0.00 O ATOM 0 H ASP D 44 12.903 -4.991 4.098 1.00 0.00 H new ATOM 0 HA ASP D 44 14.372 -7.381 3.836 1.00 0.00 H new ATOM 0 HB2 ASP D 44 11.844 -7.072 4.082 1.00 0.00 H new ATOM 0 HB3 ASP D 44 11.801 -6.575 2.402 1.00 0.00 H new