USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 844 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 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 66:sc= 0.239 USER MOD Single : A 37 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 67:sc= 0.235 USER MOD Single : B 37 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-0.98) USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 23 SER OG : rot 180:sc= 0 USER MOD Single : C 31 SER OG : rot 68:sc= 0.233 USER MOD Single : C 37 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1) USER MOD Single : D 22 SER OG : rot 180:sc= 0 USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 65:sc= 0.233 USER MOD Single : D 37 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.523 10.396 18.946 1.00 99.99 N ATOM 2 CA SER A 22 1.252 10.116 17.676 1.00 99.99 C ATOM 3 C SER A 22 1.593 8.656 17.532 1.00 99.99 C ATOM 4 O SER A 22 1.425 7.864 18.460 1.00 99.99 O ATOM 5 CB SER A 22 2.530 11.006 17.545 1.00 99.99 C ATOM 6 OG SER A 22 3.495 10.756 18.564 1.00 99.99 O ATOM 0 HA SER A 22 0.578 10.374 16.859 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.987 10.833 16.571 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.239 12.056 17.579 1.00 99.99 H new ATOM 0 HG SER A 22 4.271 11.339 18.430 1.00 99.99 H new ATOM 11 N SER A 23 2.094 8.278 16.332 1.00 99.99 N ATOM 12 CA SER A 23 2.575 6.948 16.042 1.00 99.99 C ATOM 13 C SER A 23 4.005 7.121 15.595 1.00 99.99 C ATOM 14 O SER A 23 4.600 8.178 15.800 1.00 99.99 O ATOM 15 CB SER A 23 1.735 6.231 14.957 1.00 99.99 C ATOM 16 OG SER A 23 0.399 6.052 15.409 1.00 99.99 O ATOM 0 H SER A 23 2.167 8.915 15.539 1.00 99.99 H new ATOM 0 HA SER A 23 2.495 6.313 16.924 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.740 6.816 14.037 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.180 5.264 14.722 1.00 99.99 H new ATOM 0 HG SER A 23 -0.123 5.599 14.714 1.00 99.99 H new ATOM 22 N ASP A 24 4.607 6.061 14.995 1.00 99.99 N ATOM 23 CA ASP A 24 6.015 6.023 14.643 1.00 99.99 C ATOM 24 C ASP A 24 6.184 6.626 13.265 1.00 99.99 C ATOM 25 O ASP A 24 5.237 6.566 12.488 1.00 99.99 O ATOM 26 CB ASP A 24 6.571 4.572 14.613 1.00 99.99 C ATOM 27 CG ASP A 24 6.488 3.909 15.991 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.397 4.635 17.018 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.525 2.649 16.031 1.00 99.99 O ATOM 0 H ASP A 24 4.105 5.208 14.747 1.00 99.99 H new ATOM 0 HA ASP A 24 6.565 6.583 15.399 1.00 99.99 H new ATOM 0 HB2 ASP A 24 6.009 3.981 13.890 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.608 4.586 14.277 1.00 99.99 H new ATOM 34 N PRO A 25 7.313 7.233 12.894 1.00 99.99 N ATOM 35 CA PRO A 25 7.388 8.117 11.740 1.00 99.99 C ATOM 36 C PRO A 25 7.376 7.371 10.424 1.00 99.99 C ATOM 37 O PRO A 25 6.959 7.972 9.447 1.00 99.99 O ATOM 38 CB PRO A 25 8.709 8.883 11.922 1.00 99.99 C ATOM 39 CG PRO A 25 9.554 7.975 12.819 1.00 99.99 C ATOM 40 CD PRO A 25 8.505 7.344 13.732 1.00 99.99 C ATOM 0 HA PRO A 25 6.518 8.772 11.695 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.199 9.064 10.965 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.544 9.856 12.384 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.095 7.224 12.242 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.297 8.539 13.383 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.829 6.368 14.094 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.318 7.963 14.609 1.00 99.99 H new ATOM 48 N LEU A 26 7.830 6.097 10.382 1.00 99.99 N ATOM 49 CA LEU A 26 7.790 5.176 9.254 1.00 99.99 C ATOM 50 C LEU A 26 6.357 4.722 9.023 1.00 99.99 C ATOM 51 O LEU A 26 5.933 4.672 7.897 1.00 99.99 O ATOM 52 CB LEU A 26 8.614 3.902 9.492 1.00 99.99 C ATOM 53 CG LEU A 26 8.452 2.776 8.446 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.946 3.185 7.056 1.00 99.99 C ATOM 55 CD2 LEU A 26 9.166 1.503 8.921 1.00 99.99 C ATOM 0 H LEU A 26 8.262 5.668 11.201 1.00 99.99 H new ATOM 0 HA LEU A 26 8.204 5.718 8.404 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.667 4.179 9.536 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.349 3.501 10.470 1.00 99.99 H new ATOM 0 HG LEU A 26 7.384 2.577 8.352 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.808 2.356 6.362 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.379 4.048 6.708 1.00 99.99 H new ATOM 0 HD13 LEU A 26 10.004 3.443 7.107 1.00 99.99 H new ATOM 0 HD21 LEU A 26 9.044 0.718 8.175 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.227 1.711 9.059 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.735 1.175 9.867 1.00 99.99 H new ATOM 67 N VAL A 27 5.692 4.413 10.051 1.00 99.99 N ATOM 68 CA VAL A 27 4.314 3.939 9.975 1.00 99.99 C ATOM 69 C VAL A 27 3.424 5.056 9.451 1.00 99.99 C ATOM 70 O VAL A 27 2.621 4.808 8.587 1.00 99.99 O ATOM 71 CB VAL A 27 3.745 3.538 11.343 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.255 3.161 11.225 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.536 2.333 11.898 1.00 99.99 C ATOM 0 H VAL A 27 6.061 4.470 11.000 1.00 99.99 H new ATOM 0 HA VAL A 27 4.326 3.067 9.321 1.00 99.99 H new ATOM 0 HB VAL A 27 3.838 4.387 12.020 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.872 2.880 12.206 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.693 4.015 10.847 1.00 99.99 H new ATOM 0 HG13 VAL A 27 2.145 2.321 10.539 1.00 99.99 H new ATOM 0 HG21 VAL A 27 4.132 2.049 12.869 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.450 1.493 11.209 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.586 2.606 12.008 1.00 99.99 H new ATOM 83 N VAL A 28 3.583 6.196 9.971 1.00 99.99 N ATOM 84 CA VAL A 28 2.781 7.350 9.583 1.00 99.99 C ATOM 85 C VAL A 28 3.159 7.774 8.173 1.00 99.99 C ATOM 86 O VAL A 28 2.286 8.056 7.391 1.00 99.99 O ATOM 87 CB VAL A 28 3.017 8.570 10.482 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.290 9.817 9.937 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.539 8.261 11.915 1.00 99.99 C ATOM 0 H VAL A 28 4.276 6.395 10.693 1.00 99.99 H new ATOM 0 HA VAL A 28 1.739 7.041 9.665 1.00 99.99 H new ATOM 0 HB VAL A 28 4.086 8.784 10.493 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.477 10.664 10.596 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.660 10.046 8.938 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.218 9.622 9.891 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.708 9.130 12.550 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.475 8.024 11.901 1.00 99.99 H new ATOM 0 HG23 VAL A 28 3.095 7.410 12.308 1.00 99.99 H new ATOM 99 N ALA A 29 4.391 7.812 7.907 1.00 99.99 N ATOM 100 CA ALA A 29 4.897 8.227 6.602 1.00 99.99 C ATOM 101 C ALA A 29 4.374 7.276 5.535 1.00 99.99 C ATOM 102 O ALA A 29 3.986 7.732 4.488 1.00 99.99 O ATOM 103 CB ALA A 29 6.428 8.177 6.511 1.00 99.99 C ATOM 0 H ALA A 29 5.120 7.559 8.574 1.00 99.99 H new ATOM 0 HA ALA A 29 4.562 9.254 6.456 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.744 8.496 5.518 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.859 8.841 7.260 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.770 7.158 6.690 1.00 99.99 H new ATOM 109 N ALA A 30 4.388 6.047 5.817 1.00 99.99 N ATOM 110 CA ALA A 30 3.939 5.026 4.878 1.00 99.99 C ATOM 111 C ALA A 30 2.465 5.235 4.570 1.00 99.99 C ATOM 112 O ALA A 30 2.062 5.006 3.456 1.00 99.99 O ATOM 113 CB ALA A 30 4.063 3.603 5.440 1.00 99.99 C ATOM 0 H ALA A 30 4.710 5.677 6.711 1.00 99.99 H new ATOM 0 HA ALA A 30 4.573 5.123 3.997 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.714 2.886 4.696 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.106 3.397 5.681 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.457 3.514 6.342 1.00 99.99 H new ATOM 119 N SER A 31 1.743 5.644 5.518 1.00 99.99 N ATOM 120 CA SER A 31 0.309 5.864 5.370 1.00 99.99 C ATOM 121 C SER A 31 0.072 6.946 4.327 1.00 99.99 C ATOM 122 O SER A 31 -0.753 6.761 3.468 1.00 99.99 O ATOM 123 CB SER A 31 -0.358 6.353 6.662 1.00 99.99 C ATOM 124 OG SER A 31 -0.307 5.347 7.672 1.00 99.99 O ATOM 0 H SER A 31 2.101 5.850 6.451 1.00 99.99 H new ATOM 0 HA SER A 31 -0.120 4.903 5.088 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.142 7.255 7.015 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.395 6.621 6.462 1.00 99.99 H new ATOM 0 HG SER A 31 0.626 5.186 7.927 1.00 99.99 H new ATOM 130 N ILE A 32 0.764 7.996 4.435 1.00 99.99 N ATOM 131 CA ILE A 32 0.622 9.122 3.521 1.00 99.99 C ATOM 132 C ILE A 32 1.041 8.695 2.122 1.00 99.99 C ATOM 133 O ILE A 32 0.429 9.111 1.174 1.00 99.99 O ATOM 134 CB ILE A 32 1.516 10.312 3.897 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.069 10.909 5.249 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.477 11.398 2.801 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.110 11.855 5.862 1.00 99.99 C ATOM 0 H ILE A 32 1.467 8.136 5.161 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.423 9.426 3.573 1.00 99.99 H new ATOM 0 HB ILE A 32 2.541 9.952 3.988 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.133 11.450 5.109 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.867 10.098 5.949 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.118 12.230 3.091 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.831 10.978 1.860 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.454 11.754 2.678 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.737 12.241 6.810 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.040 11.312 6.032 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.294 12.685 5.180 1.00 99.99 H new ATOM 149 N ILE A 33 2.031 7.917 2.046 1.00 99.99 N ATOM 150 CA ILE A 33 2.559 7.447 0.770 1.00 99.99 C ATOM 151 C ILE A 33 1.480 6.664 0.035 1.00 99.99 C ATOM 152 O ILE A 33 1.280 6.894 -1.130 1.00 99.99 O ATOM 153 CB ILE A 33 3.750 6.492 0.928 1.00 99.99 C ATOM 154 CG1 ILE A 33 5.034 7.336 1.131 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.900 5.544 -0.275 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.235 6.554 1.675 1.00 99.99 C ATOM 0 H ILE A 33 2.532 7.561 2.860 1.00 99.99 H new ATOM 0 HA ILE A 33 2.881 8.337 0.229 1.00 99.99 H new ATOM 0 HB ILE A 33 3.577 5.857 1.797 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.312 7.785 0.177 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.810 8.154 1.815 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.756 4.888 -0.117 1.00 99.99 H new ATOM 0 HG22 ILE A 33 2.997 4.943 -0.380 1.00 99.99 H new ATOM 0 HG23 ILE A 33 4.054 6.129 -1.182 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.087 7.225 1.785 1.00 99.99 H new ATOM 0 HD12 ILE A 33 5.982 6.127 2.646 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.491 5.753 0.982 1.00 99.99 H new ATOM 168 N GLY A 34 0.850 5.804 0.710 1.00 99.99 N ATOM 169 CA GLY A 34 -0.194 4.966 0.128 1.00 99.99 C ATOM 170 C GLY A 34 -1.363 5.840 -0.295 1.00 99.99 C ATOM 171 O GLY A 34 -1.979 5.552 -1.291 1.00 99.99 O ATOM 0 H GLY A 34 1.019 5.630 1.701 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.198 4.422 -0.731 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.525 4.222 0.853 1.00 99.99 H new ATOM 175 N ILE A 35 -1.317 7.116 0.052 1.00 99.99 N ATOM 176 CA ILE A 35 -2.367 7.983 -0.475 1.00 99.99 C ATOM 177 C ILE A 35 -1.860 8.686 -1.724 1.00 99.99 C ATOM 178 O ILE A 35 -2.560 8.716 -2.704 1.00 99.99 O ATOM 179 CB ILE A 35 -2.779 9.087 0.507 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.302 8.467 1.827 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.861 9.981 -0.135 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.447 9.454 2.989 1.00 99.99 C ATOM 0 H ILE A 35 -0.619 7.555 0.653 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.225 7.339 -0.671 1.00 99.99 H new ATOM 0 HB ILE A 35 -1.907 9.699 0.738 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.272 8.007 1.636 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.625 7.668 2.130 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.150 10.763 0.567 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.465 10.436 -1.043 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.733 9.376 -0.383 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.819 8.928 3.869 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.477 9.896 3.214 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.149 10.241 2.713 1.00 99.99 H new ATOM 194 N LEU A 36 -0.713 9.208 -1.652 1.00 99.99 N ATOM 195 CA LEU A 36 -0.116 9.938 -2.765 1.00 99.99 C ATOM 196 C LEU A 36 -0.004 9.013 -3.969 1.00 99.99 C ATOM 197 O LEU A 36 -0.297 9.433 -5.058 1.00 99.99 O ATOM 198 CB LEU A 36 1.306 10.428 -2.463 1.00 99.99 C ATOM 199 CG LEU A 36 2.044 11.092 -3.644 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.327 12.370 -4.099 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.507 11.384 -3.285 1.00 99.99 C ATOM 0 H LEU A 36 -0.123 9.161 -0.821 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.760 10.798 -2.949 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.259 11.141 -1.640 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.898 9.581 -2.117 1.00 99.99 H new ATOM 0 HG LEU A 36 2.035 10.389 -4.477 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.871 12.815 -4.932 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.313 12.125 -4.416 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.287 13.079 -3.272 1.00 99.99 H new ATOM 0 HD21 LEU A 36 4.004 11.852 -4.135 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.544 12.056 -2.428 1.00 99.99 H new ATOM 0 HD23 LEU A 36 4.014 10.451 -3.037 1.00 99.99 H new ATOM 213 N HIS A 37 0.444 7.752 -3.769 1.00 99.99 N ATOM 214 CA HIS A 37 0.652 6.772 -4.809 1.00 99.99 C ATOM 215 C HIS A 37 -0.652 6.457 -5.492 1.00 99.99 C ATOM 216 O HIS A 37 -0.676 6.114 -6.673 1.00 99.99 O ATOM 217 CB HIS A 37 1.250 5.464 -4.238 1.00 99.99 C ATOM 218 CG HIS A 37 1.670 4.466 -5.286 1.00 99.99 C ATOM 219 ND1 HIS A 37 1.916 3.152 -4.992 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.929 4.634 -6.605 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.303 2.541 -6.104 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.318 3.419 -7.097 1.00 99.99 N ATOM 0 H HIS A 37 0.672 7.397 -2.840 1.00 99.99 H new ATOM 0 HA HIS A 37 1.355 7.196 -5.526 1.00 99.99 H new ATOM 0 HB2 HIS A 37 2.114 5.712 -3.622 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.514 4.998 -3.583 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.844 5.555 -7.163 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.564 1.496 -6.187 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.576 3.222 -8.064 1.00 99.99 H new ATOM 230 N LEU A 38 -1.775 6.611 -4.751 1.00 99.99 N ATOM 231 CA LEU A 38 -3.115 6.359 -5.267 1.00 99.99 C ATOM 232 C LEU A 38 -3.502 7.473 -6.229 1.00 99.99 C ATOM 233 O LEU A 38 -4.025 7.187 -7.276 1.00 99.99 O ATOM 234 CB LEU A 38 -4.188 6.343 -4.169 1.00 99.99 C ATOM 235 CG LEU A 38 -5.619 6.101 -4.708 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.728 4.763 -5.452 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.672 6.185 -3.603 1.00 99.99 C ATOM 0 H LEU A 38 -1.762 6.915 -3.777 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.078 5.380 -5.745 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -3.944 5.565 -3.445 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.165 7.293 -3.636 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.819 6.902 -5.419 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.747 4.630 -5.815 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.039 4.759 -6.297 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.475 3.948 -4.774 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.660 6.009 -4.028 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.464 5.431 -2.844 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.644 7.175 -3.148 1.00 99.99 H new ATOM 249 N ILE A 39 -3.249 8.650 -5.859 1.00 99.99 N ATOM 250 CA ILE A 39 -3.591 9.815 -6.668 1.00 99.99 C ATOM 251 C ILE A 39 -2.760 9.800 -7.942 1.00 99.99 C ATOM 252 O ILE A 39 -3.292 10.067 -8.991 1.00 99.99 O ATOM 253 CB ILE A 39 -3.281 11.144 -5.965 1.00 99.99 C ATOM 254 CG1 ILE A 39 -4.218 11.325 -4.750 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.439 12.320 -6.951 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.867 12.535 -3.873 1.00 99.99 C ATOM 0 H ILE A 39 -2.791 8.877 -4.976 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.662 9.752 -6.859 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.249 11.129 -5.613 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.243 11.431 -5.106 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -4.184 10.423 -4.139 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -3.216 13.256 -6.439 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.750 12.190 -7.786 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.462 12.346 -7.326 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.568 12.597 -3.041 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.854 12.423 -3.487 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.929 13.446 -4.468 1.00 99.99 H new ATOM 268 N LEU A 40 -1.539 9.513 -7.818 1.00 99.99 N ATOM 269 CA LEU A 40 -0.622 9.487 -8.951 1.00 99.99 C ATOM 270 C LEU A 40 -1.104 8.463 -9.967 1.00 99.99 C ATOM 271 O LEU A 40 -1.097 8.750 -11.137 1.00 99.99 O ATOM 272 CB LEU A 40 0.801 9.069 -8.559 1.00 99.99 C ATOM 273 CG LEU A 40 1.594 10.103 -7.729 1.00 99.99 C ATOM 274 CD1 LEU A 40 2.952 9.503 -7.314 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.813 11.418 -8.489 1.00 99.99 C ATOM 0 H LEU A 40 -1.103 9.279 -6.926 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.602 10.501 -9.350 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.745 8.140 -7.992 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.361 8.853 -9.469 1.00 99.99 H new ATOM 0 HG LEU A 40 1.002 10.337 -6.844 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.509 10.234 -6.729 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.786 8.608 -6.714 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.522 9.241 -8.206 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.375 12.111 -7.863 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.372 11.221 -9.404 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.848 11.858 -8.741 1.00 99.99 H new ATOM 287 N TRP A 41 -1.487 7.350 -9.510 1.00 99.99 N ATOM 288 CA TRP A 41 -1.948 6.268 -10.371 1.00 99.99 C ATOM 289 C TRP A 41 -3.266 6.669 -11.016 1.00 99.99 C ATOM 290 O TRP A 41 -3.449 6.418 -12.181 1.00 99.99 O ATOM 291 CB TRP A 41 -2.217 4.967 -9.603 1.00 99.99 C ATOM 292 CG TRP A 41 -2.597 3.794 -10.489 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.760 3.031 -11.244 1.00 99.99 C ATOM 294 CD2 TRP A 41 -3.933 3.348 -10.776 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.470 2.081 -11.922 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.809 2.281 -11.685 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.182 3.777 -10.316 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -4.930 1.605 -12.143 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.308 3.101 -10.791 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.191 2.027 -11.691 1.00 99.99 C ATOM 0 H TRP A 41 -1.503 7.125 -8.515 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.156 6.095 -11.100 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.327 4.704 -9.031 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.018 5.140 -8.884 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.689 3.158 -11.299 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.073 1.346 -12.507 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.272 4.599 -9.621 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.836 0.776 -12.829 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.289 3.409 -10.460 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.080 1.521 -12.038 1.00 99.99 H new ATOM 311 N ILE A 42 -4.108 7.242 -10.269 1.00 99.99 N ATOM 312 CA ILE A 42 -5.423 7.655 -10.749 1.00 99.99 C ATOM 313 C ILE A 42 -5.254 8.739 -11.804 1.00 99.99 C ATOM 314 O ILE A 42 -5.941 8.703 -12.794 1.00 99.99 O ATOM 315 CB ILE A 42 -6.298 8.260 -9.645 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.752 7.155 -8.662 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.526 8.977 -10.246 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.556 7.688 -7.466 1.00 99.99 C ATOM 0 H ILE A 42 -3.937 7.457 -9.287 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.904 6.757 -11.137 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.705 8.997 -9.103 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.358 6.427 -9.201 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.874 6.626 -8.292 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.131 9.398 -9.443 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.193 9.777 -10.907 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.123 8.263 -10.814 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.841 6.858 -6.820 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -6.945 8.394 -6.903 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.453 8.191 -7.826 1.00 99.99 H new ATOM 330 N LEU A 43 -4.394 9.630 -11.566 1.00 99.99 N ATOM 331 CA LEU A 43 -4.149 10.741 -12.478 1.00 99.99 C ATOM 332 C LEU A 43 -3.582 10.204 -13.785 1.00 99.99 C ATOM 333 O LEU A 43 -3.894 10.735 -14.821 1.00 99.99 O ATOM 334 CB LEU A 43 -3.119 11.741 -11.938 1.00 99.99 C ATOM 335 CG LEU A 43 -3.609 12.570 -10.727 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.432 13.336 -10.096 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.728 13.549 -11.114 1.00 99.99 C ATOM 0 H LEU A 43 -3.811 9.643 -10.729 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.106 11.246 -12.608 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.219 11.198 -11.651 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.837 12.423 -12.740 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.021 11.871 -9.998 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.790 13.916 -9.245 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.675 12.627 -9.760 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -1.997 14.008 -10.836 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.041 14.110 -10.233 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.361 14.240 -11.873 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.577 12.993 -11.511 1.00 99.99 H new ATOM 349 N ASP A 44 -2.794 9.223 -13.697 1.00 99.99 N ATOM 350 CA ASP A 44 -2.157 8.627 -14.863 1.00 99.99 C ATOM 351 C ASP A 44 -3.217 7.959 -15.730 1.00 99.99 C ATOM 352 O ASP A 44 -3.144 8.064 -16.928 1.00 99.99 O ATOM 353 CB ASP A 44 -1.144 7.532 -14.499 1.00 99.99 C ATOM 354 CG ASP A 44 -0.413 6.971 -15.734 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.365 7.730 -16.360 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.578 5.755 -16.051 1.00 99.99 O ATOM 0 H ASP A 44 -2.545 8.777 -12.814 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.640 9.438 -15.375 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.412 7.937 -13.800 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.660 6.720 -13.986 1.00 99.99 H new ATOM 361 N ARG A 45 -4.119 7.319 -15.125 1.00 99.99 N ATOM 362 CA ARG A 45 -5.183 6.612 -15.830 1.00 99.99 C ATOM 363 C ARG A 45 -6.040 7.615 -16.588 1.00 99.99 C ATOM 364 O ARG A 45 -6.361 7.369 -17.722 1.00 99.99 O ATOM 365 CB ARG A 45 -6.130 5.862 -14.884 1.00 99.99 C ATOM 366 CG ARG A 45 -5.454 4.709 -14.113 1.00 99.99 C ATOM 367 CD ARG A 45 -5.206 3.468 -14.981 1.00 99.99 C ATOM 368 NE ARG A 45 -3.813 3.550 -15.549 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.468 2.865 -16.656 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.342 2.061 -17.287 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.208 2.974 -17.106 1.00 99.99 N ATOM 0 H ARG A 45 -4.174 7.247 -14.109 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.690 5.896 -16.488 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.549 6.569 -14.168 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.963 5.461 -15.461 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.504 5.058 -13.709 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.079 4.432 -13.264 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.319 2.562 -14.386 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.940 3.416 -15.785 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.118 4.136 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.292 1.959 -16.929 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -4.055 1.553 -18.124 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.539 3.565 -16.612 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.919 2.466 -17.942 1.00 99.99 H new ATOM 385 N LEU A 46 -6.370 8.660 -15.963 1.00 99.99 N ATOM 386 CA LEU A 46 -7.209 9.693 -16.559 1.00 99.99 C ATOM 387 C LEU A 46 -6.458 10.351 -17.706 1.00 99.99 C ATOM 388 O LEU A 46 -5.455 11.032 -17.498 1.00 99.99 O ATOM 389 CB LEU A 46 -7.566 10.815 -15.575 1.00 99.99 C ATOM 390 CG LEU A 46 -8.335 10.417 -14.291 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.371 11.636 -13.349 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.758 9.918 -14.565 1.00 99.99 C ATOM 0 H LEU A 46 -6.080 8.861 -15.006 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.123 9.195 -16.882 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.641 11.307 -15.275 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.162 11.555 -16.109 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.808 9.581 -13.832 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.909 11.376 -12.438 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.352 11.931 -13.097 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.877 12.464 -13.845 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.240 9.656 -13.623 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.330 10.703 -15.059 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.718 9.039 -15.208 1.00 99.99 H new ATOM 405 N SER B 22 -10.396 0.523 18.946 1.00 99.99 N ATOM 406 CA SER B 22 -10.116 1.252 17.676 1.00 99.99 C ATOM 407 C SER B 22 -8.656 1.593 17.532 1.00 99.99 C ATOM 408 O SER B 22 -7.864 1.425 18.460 1.00 99.99 O ATOM 409 CB SER B 22 -11.006 2.530 17.545 1.00 99.99 C ATOM 410 OG SER B 22 -10.756 3.495 18.564 1.00 99.99 O ATOM 0 HA SER B 22 -10.374 0.578 16.859 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.833 2.987 16.571 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.056 2.239 17.579 1.00 99.99 H new ATOM 0 HG SER B 22 -11.339 4.271 18.430 1.00 99.99 H new ATOM 415 N SER B 23 -8.278 2.094 16.332 1.00 99.99 N ATOM 416 CA SER B 23 -6.948 2.575 16.042 1.00 99.99 C ATOM 417 C SER B 23 -7.121 4.005 15.595 1.00 99.99 C ATOM 418 O SER B 23 -8.178 4.600 15.800 1.00 99.99 O ATOM 419 CB SER B 23 -6.231 1.735 14.957 1.00 99.99 C ATOM 420 OG SER B 23 -6.052 0.399 15.409 1.00 99.99 O ATOM 0 H SER B 23 -8.915 2.167 15.539 1.00 99.99 H new ATOM 0 HA SER B 23 -6.313 2.495 16.924 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.816 1.740 14.037 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.264 2.180 14.722 1.00 99.99 H new ATOM 0 HG SER B 23 -5.599 -0.123 14.714 1.00 99.99 H new ATOM 426 N ASP B 24 -6.061 4.607 14.995 1.00 99.99 N ATOM 427 CA ASP B 24 -6.023 6.015 14.643 1.00 99.99 C ATOM 428 C ASP B 24 -6.626 6.184 13.265 1.00 99.99 C ATOM 429 O ASP B 24 -6.566 5.237 12.488 1.00 99.99 O ATOM 430 CB ASP B 24 -4.572 6.571 14.613 1.00 99.99 C ATOM 431 CG ASP B 24 -3.909 6.488 15.991 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.635 6.397 17.018 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.649 6.525 16.031 1.00 99.99 O ATOM 0 H ASP B 24 -5.208 4.105 14.747 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.583 6.565 15.399 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.981 6.009 13.890 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.586 7.608 14.277 1.00 99.99 H new ATOM 438 N PRO B 25 -7.233 7.313 12.894 1.00 99.99 N ATOM 439 CA PRO B 25 -8.117 7.388 11.740 1.00 99.99 C ATOM 440 C PRO B 25 -7.371 7.376 10.424 1.00 99.99 C ATOM 441 O PRO B 25 -7.972 6.959 9.447 1.00 99.99 O ATOM 442 CB PRO B 25 -8.883 8.709 11.922 1.00 99.99 C ATOM 443 CG PRO B 25 -7.975 9.554 12.819 1.00 99.99 C ATOM 444 CD PRO B 25 -7.344 8.505 13.732 1.00 99.99 C ATOM 0 HA PRO B 25 -8.772 6.518 11.695 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -9.064 9.199 10.965 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.856 8.544 12.384 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.224 10.095 12.242 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.539 10.297 13.383 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.368 8.829 14.094 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -7.963 8.318 14.609 1.00 99.99 H new ATOM 452 N LEU B 26 -6.097 7.830 10.382 1.00 99.99 N ATOM 453 CA LEU B 26 -5.176 7.790 9.254 1.00 99.99 C ATOM 454 C LEU B 26 -4.722 6.357 9.023 1.00 99.99 C ATOM 455 O LEU B 26 -4.672 5.933 7.897 1.00 99.99 O ATOM 456 CB LEU B 26 -3.902 8.614 9.492 1.00 99.99 C ATOM 457 CG LEU B 26 -2.776 8.452 8.446 1.00 99.99 C ATOM 458 CD1 LEU B 26 -3.185 8.946 7.056 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.503 9.166 8.921 1.00 99.99 C ATOM 0 H LEU B 26 -5.668 8.262 11.201 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.718 8.204 8.404 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -4.179 9.667 9.536 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.501 8.349 10.470 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.577 7.384 8.352 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -2.356 8.808 6.362 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -4.048 8.379 6.708 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -3.443 10.004 7.107 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.718 9.044 8.175 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.711 10.227 9.059 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -1.175 8.735 9.867 1.00 99.99 H new ATOM 471 N VAL B 27 -4.413 5.692 10.051 1.00 99.99 N ATOM 472 CA VAL B 27 -3.939 4.314 9.975 1.00 99.99 C ATOM 473 C VAL B 27 -5.056 3.424 9.451 1.00 99.99 C ATOM 474 O VAL B 27 -4.808 2.621 8.587 1.00 99.99 O ATOM 475 CB VAL B 27 -3.538 3.745 11.343 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.161 2.255 11.225 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.333 4.536 11.898 1.00 99.99 C ATOM 0 H VAL B 27 -4.470 6.061 11.000 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.067 4.326 9.321 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.387 3.838 12.020 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.880 1.872 12.206 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -4.015 1.693 10.847 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.321 2.145 10.539 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -2.049 4.132 12.869 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.493 4.450 11.209 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.606 5.586 12.008 1.00 99.99 H new ATOM 487 N VAL B 28 -6.196 3.583 9.971 1.00 99.99 N ATOM 488 CA VAL B 28 -7.350 2.781 9.583 1.00 99.99 C ATOM 489 C VAL B 28 -7.774 3.159 8.173 1.00 99.99 C ATOM 490 O VAL B 28 -8.056 2.286 7.391 1.00 99.99 O ATOM 491 CB VAL B 28 -8.570 3.017 10.482 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.817 2.290 9.937 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.261 2.539 11.915 1.00 99.99 C ATOM 0 H VAL B 28 -6.395 4.276 10.693 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.041 1.739 9.665 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.784 4.086 10.493 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.664 2.477 10.596 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.046 2.660 8.938 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.622 1.218 9.891 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.130 2.708 12.550 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -8.024 1.475 11.901 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.410 3.095 12.308 1.00 99.99 H new ATOM 503 N ALA B 29 -7.812 4.391 7.907 1.00 99.99 N ATOM 504 CA ALA B 29 -8.227 4.897 6.602 1.00 99.99 C ATOM 505 C ALA B 29 -7.276 4.374 5.535 1.00 99.99 C ATOM 506 O ALA B 29 -7.732 3.986 4.488 1.00 99.99 O ATOM 507 CB ALA B 29 -8.177 6.428 6.511 1.00 99.99 C ATOM 0 H ALA B 29 -7.559 5.120 8.574 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.254 4.562 6.456 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.496 6.744 5.518 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.841 6.859 7.260 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -7.158 6.770 6.690 1.00 99.99 H new ATOM 513 N ALA B 30 -6.047 4.388 5.817 1.00 99.99 N ATOM 514 CA ALA B 30 -5.026 3.939 4.878 1.00 99.99 C ATOM 515 C ALA B 30 -5.235 2.465 4.570 1.00 99.99 C ATOM 516 O ALA B 30 -5.006 2.062 3.456 1.00 99.99 O ATOM 517 CB ALA B 30 -3.603 4.063 5.440 1.00 99.99 C ATOM 0 H ALA B 30 -5.677 4.710 6.711 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.123 4.573 3.997 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.886 3.714 4.696 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.397 5.106 5.681 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.514 3.457 6.342 1.00 99.99 H new ATOM 523 N SER B 31 -5.644 1.743 5.518 1.00 99.99 N ATOM 524 CA SER B 31 -5.864 0.309 5.370 1.00 99.99 C ATOM 525 C SER B 31 -6.946 0.072 4.327 1.00 99.99 C ATOM 526 O SER B 31 -6.761 -0.753 3.468 1.00 99.99 O ATOM 527 CB SER B 31 -6.353 -0.358 6.662 1.00 99.99 C ATOM 528 OG SER B 31 -5.347 -0.307 7.672 1.00 99.99 O ATOM 0 H SER B 31 -5.850 2.101 6.451 1.00 99.99 H new ATOM 0 HA SER B 31 -4.903 -0.120 5.088 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.255 0.142 7.015 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.621 -1.395 6.462 1.00 99.99 H new ATOM 0 HG SER B 31 -5.198 0.624 7.938 1.00 99.99 H new ATOM 534 N ILE B 32 -7.996 0.764 4.435 1.00 99.99 N ATOM 535 CA ILE B 32 -9.122 0.622 3.521 1.00 99.99 C ATOM 536 C ILE B 32 -8.695 1.041 2.122 1.00 99.99 C ATOM 537 O ILE B 32 -9.111 0.429 1.174 1.00 99.99 O ATOM 538 CB ILE B 32 -10.312 1.516 3.897 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.909 1.069 5.249 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.398 1.477 2.801 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.855 2.110 5.862 1.00 99.99 C ATOM 0 H ILE B 32 -8.136 1.467 5.161 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.426 -0.423 3.573 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.952 2.541 3.988 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.450 0.133 5.109 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.098 0.867 5.949 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.230 2.118 3.091 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -10.978 1.831 1.860 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.754 0.454 2.678 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.241 1.737 6.810 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.312 3.040 6.032 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.685 2.294 5.180 1.00 99.99 H new ATOM 553 N ILE B 33 -7.917 2.031 2.046 1.00 99.99 N ATOM 554 CA ILE B 33 -7.447 2.559 0.770 1.00 99.99 C ATOM 555 C ILE B 33 -6.664 1.480 0.035 1.00 99.99 C ATOM 556 O ILE B 33 -6.894 1.280 -1.130 1.00 99.99 O ATOM 557 CB ILE B 33 -6.492 3.750 0.928 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.336 5.034 1.131 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.544 3.900 -0.275 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.554 6.235 1.675 1.00 99.99 C ATOM 0 H ILE B 33 -7.561 2.532 2.860 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.337 2.881 0.229 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.857 3.577 1.797 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.785 5.312 0.177 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.154 4.810 1.815 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.888 4.756 -0.117 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.943 2.997 -0.380 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -6.129 4.054 -1.182 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.225 7.087 1.785 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -6.127 5.982 2.646 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.753 6.491 0.982 1.00 99.99 H new ATOM 572 N GLY B 34 -5.804 0.850 0.710 1.00 99.99 N ATOM 573 CA GLY B 34 -4.966 -0.194 0.128 1.00 99.99 C ATOM 574 C GLY B 34 -5.840 -1.363 -0.295 1.00 99.99 C ATOM 575 O GLY B 34 -5.552 -1.979 -1.291 1.00 99.99 O ATOM 0 H GLY B 34 -5.630 1.019 1.701 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.422 0.198 -0.731 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.222 -0.525 0.853 1.00 99.99 H new ATOM 579 N ILE B 35 -7.116 -1.317 0.052 1.00 99.99 N ATOM 580 CA ILE B 35 -7.983 -2.367 -0.475 1.00 99.99 C ATOM 581 C ILE B 35 -8.686 -1.860 -1.724 1.00 99.99 C ATOM 582 O ILE B 35 -8.716 -2.560 -2.704 1.00 99.99 O ATOM 583 CB ILE B 35 -9.087 -2.779 0.507 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.467 -3.302 1.827 1.00 99.99 C ATOM 585 CG2 ILE B 35 -9.981 -3.861 -0.135 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.454 -3.447 2.989 1.00 99.99 C ATOM 0 H ILE B 35 -7.555 -0.619 0.653 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.339 -3.225 -0.671 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.699 -1.907 0.738 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -8.007 -4.272 1.636 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.668 -2.625 2.130 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.763 -4.150 0.567 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.436 -3.465 -1.043 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.376 -4.733 -0.383 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.928 -3.819 3.869 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.896 -2.477 3.214 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.241 -4.149 2.713 1.00 99.99 H new ATOM 598 N LEU B 36 -9.208 -0.713 -1.652 1.00 99.99 N ATOM 599 CA LEU B 36 -9.938 -0.116 -2.765 1.00 99.99 C ATOM 600 C LEU B 36 -9.013 -0.004 -3.969 1.00 99.99 C ATOM 601 O LEU B 36 -9.433 -0.297 -5.058 1.00 99.99 O ATOM 602 CB LEU B 36 -10.428 1.306 -2.463 1.00 99.99 C ATOM 603 CG LEU B 36 -11.092 2.044 -3.644 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.370 1.327 -4.099 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.384 3.507 -3.285 1.00 99.99 C ATOM 0 H LEU B 36 -9.161 -0.123 -0.821 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.798 -0.760 -2.949 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.141 1.259 -1.640 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.581 1.898 -2.117 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.389 2.035 -4.477 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.815 1.871 -4.932 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.125 0.313 -4.416 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.079 1.287 -3.272 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.852 4.004 -4.135 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -12.056 3.544 -2.428 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.451 4.014 -3.037 1.00 99.99 H new ATOM 617 N HIS B 37 -7.752 0.444 -3.769 1.00 99.99 N ATOM 618 CA HIS B 37 -6.772 0.652 -4.809 1.00 99.99 C ATOM 619 C HIS B 37 -6.457 -0.652 -5.492 1.00 99.99 C ATOM 620 O HIS B 37 -6.114 -0.676 -6.673 1.00 99.99 O ATOM 621 CB HIS B 37 -5.464 1.250 -4.238 1.00 99.99 C ATOM 622 CG HIS B 37 -4.466 1.670 -5.286 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.152 1.916 -4.992 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.634 1.929 -6.605 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.541 2.303 -6.104 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.419 2.318 -7.097 1.00 99.99 N ATOM 0 H HIS B 37 -7.397 0.672 -2.840 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.196 1.355 -5.526 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.712 2.114 -3.622 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -4.998 0.514 -3.583 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.555 1.844 -7.163 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.496 2.564 -6.187 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.222 2.576 -8.064 1.00 99.99 H new ATOM 634 N LEU B 38 -6.611 -1.775 -4.751 1.00 99.99 N ATOM 635 CA LEU B 38 -6.359 -3.115 -5.267 1.00 99.99 C ATOM 636 C LEU B 38 -7.473 -3.502 -6.229 1.00 99.99 C ATOM 637 O LEU B 38 -7.187 -4.025 -7.276 1.00 99.99 O ATOM 638 CB LEU B 38 -6.343 -4.188 -4.169 1.00 99.99 C ATOM 639 CG LEU B 38 -6.101 -5.619 -4.708 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.763 -5.728 -5.452 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.185 -6.672 -3.603 1.00 99.99 C ATOM 0 H LEU B 38 -6.915 -1.762 -3.777 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.380 -3.078 -5.745 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.565 -3.944 -3.445 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.293 -4.165 -3.636 1.00 99.99 H new ATOM 0 HG LEU B 38 -6.902 -5.819 -5.419 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.630 -6.747 -5.815 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.759 -5.039 -6.297 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -3.948 -5.475 -4.774 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.009 -7.660 -4.028 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.431 -6.464 -2.844 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.175 -6.644 -3.148 1.00 99.99 H new ATOM 653 N ILE B 39 -8.650 -3.249 -5.859 1.00 99.99 N ATOM 654 CA ILE B 39 -9.815 -3.591 -6.668 1.00 99.99 C ATOM 655 C ILE B 39 -9.800 -2.760 -7.942 1.00 99.99 C ATOM 656 O ILE B 39 -10.067 -3.292 -8.991 1.00 99.99 O ATOM 657 CB ILE B 39 -11.144 -3.281 -5.965 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.325 -4.218 -4.750 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.320 -3.439 -6.951 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.535 -3.867 -3.873 1.00 99.99 C ATOM 0 H ILE B 39 -8.877 -2.791 -4.976 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.752 -4.662 -6.859 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.129 -2.249 -5.613 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.431 -5.243 -5.106 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.423 -4.184 -4.139 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.256 -3.216 -6.439 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.190 -2.750 -7.786 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.346 -4.462 -7.326 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.597 -4.568 -3.041 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.423 -2.854 -3.487 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.446 -3.929 -4.468 1.00 99.99 H new ATOM 672 N LEU B 40 -9.513 -1.539 -7.818 1.00 99.99 N ATOM 673 CA LEU B 40 -9.487 -0.622 -8.951 1.00 99.99 C ATOM 674 C LEU B 40 -8.463 -1.104 -9.967 1.00 99.99 C ATOM 675 O LEU B 40 -8.750 -1.097 -11.137 1.00 99.99 O ATOM 676 CB LEU B 40 -9.069 0.801 -8.559 1.00 99.99 C ATOM 677 CG LEU B 40 -10.103 1.594 -7.729 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.503 2.952 -7.314 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.418 1.813 -8.489 1.00 99.99 C ATOM 0 H LEU B 40 -9.279 -1.103 -6.926 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.501 -0.602 -9.350 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.140 0.745 -7.992 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.853 1.361 -9.469 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.337 1.002 -6.844 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.234 3.509 -6.729 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.608 2.786 -6.714 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.241 3.522 -8.206 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.111 2.375 -7.863 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.221 2.372 -9.404 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.858 0.848 -8.741 1.00 99.99 H new ATOM 691 N TRP B 41 -7.350 -1.487 -9.510 1.00 99.99 N ATOM 692 CA TRP B 41 -6.268 -1.948 -10.371 1.00 99.99 C ATOM 693 C TRP B 41 -6.669 -3.266 -11.016 1.00 99.99 C ATOM 694 O TRP B 41 -6.418 -3.449 -12.181 1.00 99.99 O ATOM 695 CB TRP B 41 -4.967 -2.217 -9.603 1.00 99.99 C ATOM 696 CG TRP B 41 -3.794 -2.597 -10.489 1.00 99.99 C ATOM 697 CD1 TRP B 41 -3.031 -1.760 -11.244 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.348 -3.933 -10.776 1.00 99.99 C ATOM 699 NE1 TRP B 41 -2.081 -2.470 -11.922 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.281 -3.809 -11.685 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.777 -5.182 -10.316 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.605 -4.930 -12.143 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.101 -6.308 -10.791 1.00 99.99 C ATOM 704 CH2 TRP B 41 -2.027 -6.191 -11.691 1.00 99.99 C ATOM 0 H TRP B 41 -7.125 -1.503 -8.515 1.00 99.99 H new ATOM 0 HA TRP B 41 -6.095 -1.156 -11.100 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.704 -1.327 -9.031 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.140 -3.018 -8.884 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.158 -0.689 -11.299 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.346 -2.073 -12.507 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.599 -5.272 -9.621 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.776 -4.836 -12.829 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.409 -7.289 -10.460 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.521 -7.080 -12.038 1.00 99.99 H new ATOM 715 N ILE B 42 -7.242 -4.108 -10.269 1.00 99.99 N ATOM 716 CA ILE B 42 -7.655 -5.423 -10.749 1.00 99.99 C ATOM 717 C ILE B 42 -8.739 -5.254 -11.804 1.00 99.99 C ATOM 718 O ILE B 42 -8.703 -5.941 -12.794 1.00 99.99 O ATOM 719 CB ILE B 42 -8.260 -6.298 -9.645 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.155 -6.752 -8.662 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.977 -7.526 -10.246 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.688 -7.556 -7.466 1.00 99.99 C ATOM 0 H ILE B 42 -7.457 -3.937 -9.287 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.757 -5.904 -11.137 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.997 -5.705 -9.103 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.427 -7.358 -9.201 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.626 -5.874 -8.292 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.398 -8.131 -9.443 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.777 -7.193 -10.907 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.263 -8.123 -10.814 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.858 -7.841 -6.820 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.394 -6.945 -6.903 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.191 -8.453 -7.826 1.00 99.99 H new ATOM 734 N LEU B 43 -9.630 -4.394 -11.566 1.00 99.99 N ATOM 735 CA LEU B 43 -10.741 -4.149 -12.478 1.00 99.99 C ATOM 736 C LEU B 43 -10.204 -3.582 -13.785 1.00 99.99 C ATOM 737 O LEU B 43 -10.735 -3.894 -14.821 1.00 99.99 O ATOM 738 CB LEU B 43 -11.741 -3.119 -11.938 1.00 99.99 C ATOM 739 CG LEU B 43 -12.570 -3.609 -10.727 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.336 -2.432 -10.096 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.549 -4.728 -11.114 1.00 99.99 C ATOM 0 H LEU B 43 -9.643 -3.811 -10.729 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.246 -5.106 -12.608 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.198 -2.219 -11.651 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.423 -2.837 -12.740 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.871 -4.021 -9.998 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.916 -2.790 -9.245 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.627 -1.675 -9.760 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -14.008 -1.997 -10.836 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.110 -5.041 -10.233 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.240 -4.361 -11.873 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.993 -5.577 -11.511 1.00 99.99 H new ATOM 753 N ASP B 44 -9.223 -2.794 -13.697 1.00 99.99 N ATOM 754 CA ASP B 44 -8.627 -2.157 -14.863 1.00 99.99 C ATOM 755 C ASP B 44 -7.959 -3.217 -15.730 1.00 99.99 C ATOM 756 O ASP B 44 -8.064 -3.144 -16.928 1.00 99.99 O ATOM 757 CB ASP B 44 -7.532 -1.144 -14.499 1.00 99.99 C ATOM 758 CG ASP B 44 -6.971 -0.413 -15.734 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.730 0.365 -16.360 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.755 -0.578 -16.051 1.00 99.99 O ATOM 0 H ASP B 44 -8.777 -2.545 -12.814 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.438 -1.640 -15.375 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.937 -0.412 -13.800 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.720 -1.660 -13.986 1.00 99.99 H new ATOM 765 N ARG B 45 -7.319 -4.119 -15.125 1.00 99.99 N ATOM 766 CA ARG B 45 -6.612 -5.183 -15.830 1.00 99.99 C ATOM 767 C ARG B 45 -7.615 -6.040 -16.588 1.00 99.99 C ATOM 768 O ARG B 45 -7.369 -6.361 -17.722 1.00 99.99 O ATOM 769 CB ARG B 45 -5.862 -6.130 -14.884 1.00 99.99 C ATOM 770 CG ARG B 45 -4.709 -5.454 -14.113 1.00 99.99 C ATOM 771 CD ARG B 45 -3.468 -5.206 -14.981 1.00 99.99 C ATOM 772 NE ARG B 45 -3.550 -3.813 -15.549 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.865 -3.468 -16.656 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.061 -4.342 -17.287 1.00 99.99 N ATOM 775 NH2 ARG B 45 -2.974 -2.208 -17.106 1.00 99.99 N ATOM 0 H ARG B 45 -7.247 -4.174 -14.109 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.896 -4.690 -16.488 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.569 -6.549 -14.168 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.461 -6.963 -15.461 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.058 -4.504 -13.709 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.432 -6.079 -13.264 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.562 -5.319 -14.386 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.416 -5.940 -15.785 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.136 -3.118 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.959 -5.292 -16.929 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.553 -4.055 -18.124 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.565 -1.539 -16.612 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.466 -1.919 -17.942 1.00 99.99 H new ATOM 789 N LEU B 46 -8.660 -6.370 -15.963 1.00 99.99 N ATOM 790 CA LEU B 46 -9.693 -7.209 -16.559 1.00 99.99 C ATOM 791 C LEU B 46 -10.351 -6.458 -17.706 1.00 99.99 C ATOM 792 O LEU B 46 -11.032 -5.455 -17.498 1.00 99.99 O ATOM 793 CB LEU B 46 -10.815 -7.566 -15.575 1.00 99.99 C ATOM 794 CG LEU B 46 -10.417 -8.335 -14.291 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.636 -8.371 -13.349 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.918 -9.758 -14.565 1.00 99.99 C ATOM 0 H LEU B 46 -8.861 -6.080 -15.006 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.195 -8.123 -16.882 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.307 -6.641 -15.275 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.555 -8.162 -16.109 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.581 -7.808 -13.832 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.376 -8.909 -12.438 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.931 -7.352 -13.097 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.464 -8.877 -13.845 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.656 -10.240 -13.623 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.703 -10.330 -15.059 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -9.039 -9.718 -15.208 1.00 99.99 H new ATOM 809 N SER C 22 -0.523 -10.396 18.946 1.00 99.99 N ATOM 810 CA SER C 22 -1.252 -10.116 17.676 1.00 99.99 C ATOM 811 C SER C 22 -1.593 -8.656 17.532 1.00 99.99 C ATOM 812 O SER C 22 -1.425 -7.864 18.460 1.00 99.99 O ATOM 813 CB SER C 22 -2.530 -11.006 17.545 1.00 99.99 C ATOM 814 OG SER C 22 -3.495 -10.756 18.564 1.00 99.99 O ATOM 0 HA SER C 22 -0.578 -10.374 16.859 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.987 -10.833 16.571 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.239 -12.056 17.579 1.00 99.99 H new ATOM 0 HG SER C 22 -4.271 -11.339 18.430 1.00 99.99 H new ATOM 819 N SER C 23 -2.094 -8.278 16.332 1.00 99.99 N ATOM 820 CA SER C 23 -2.575 -6.948 16.042 1.00 99.99 C ATOM 821 C SER C 23 -4.005 -7.121 15.595 1.00 99.99 C ATOM 822 O SER C 23 -4.600 -8.178 15.800 1.00 99.99 O ATOM 823 CB SER C 23 -1.735 -6.231 14.957 1.00 99.99 C ATOM 824 OG SER C 23 -0.399 -6.052 15.409 1.00 99.99 O ATOM 0 H SER C 23 -2.167 -8.915 15.539 1.00 99.99 H new ATOM 0 HA SER C 23 -2.495 -6.313 16.924 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.740 -6.816 14.037 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.180 -5.264 14.722 1.00 99.99 H new ATOM 0 HG SER C 23 0.123 -5.599 14.714 1.00 99.99 H new ATOM 830 N ASP C 24 -4.607 -6.061 14.995 1.00 99.99 N ATOM 831 CA ASP C 24 -6.015 -6.023 14.643 1.00 99.99 C ATOM 832 C ASP C 24 -6.184 -6.626 13.265 1.00 99.99 C ATOM 833 O ASP C 24 -5.237 -6.566 12.488 1.00 99.99 O ATOM 834 CB ASP C 24 -6.571 -4.572 14.613 1.00 99.99 C ATOM 835 CG ASP C 24 -6.488 -3.909 15.991 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.397 -4.635 17.018 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.525 -2.649 16.031 1.00 99.99 O ATOM 0 H ASP C 24 -4.105 -5.208 14.747 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.565 -6.583 15.399 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -6.009 -3.981 13.890 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.608 -4.586 14.277 1.00 99.99 H new ATOM 842 N PRO C 25 -7.313 -7.233 12.894 1.00 99.99 N ATOM 843 CA PRO C 25 -7.388 -8.117 11.740 1.00 99.99 C ATOM 844 C PRO C 25 -7.376 -7.371 10.424 1.00 99.99 C ATOM 845 O PRO C 25 -6.959 -7.972 9.447 1.00 99.99 O ATOM 846 CB PRO C 25 -8.709 -8.883 11.922 1.00 99.99 C ATOM 847 CG PRO C 25 -9.554 -7.975 12.819 1.00 99.99 C ATOM 848 CD PRO C 25 -8.505 -7.344 13.732 1.00 99.99 C ATOM 0 HA PRO C 25 -6.518 -8.772 11.695 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.199 -9.064 10.965 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.544 -9.856 12.384 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.095 -7.224 12.242 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.297 -8.539 13.383 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.829 -6.368 14.094 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.318 -7.963 14.609 1.00 99.99 H new ATOM 856 N LEU C 26 -7.830 -6.097 10.382 1.00 99.99 N ATOM 857 CA LEU C 26 -7.790 -5.176 9.254 1.00 99.99 C ATOM 858 C LEU C 26 -6.357 -4.722 9.023 1.00 99.99 C ATOM 859 O LEU C 26 -5.933 -4.672 7.897 1.00 99.99 O ATOM 860 CB LEU C 26 -8.614 -3.902 9.492 1.00 99.99 C ATOM 861 CG LEU C 26 -8.452 -2.776 8.446 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.946 -3.185 7.056 1.00 99.99 C ATOM 863 CD2 LEU C 26 -9.166 -1.503 8.921 1.00 99.99 C ATOM 0 H LEU C 26 -8.262 -5.668 11.201 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.204 -5.718 8.404 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.667 -4.179 9.536 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.349 -3.501 10.470 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.384 -2.577 8.352 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.808 -2.356 6.362 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.379 -4.048 6.708 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -10.004 -3.443 7.107 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -9.044 -0.718 8.175 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.227 -1.711 9.059 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.735 -1.175 9.867 1.00 99.99 H new ATOM 875 N VAL C 27 -5.692 -4.413 10.051 1.00 99.99 N ATOM 876 CA VAL C 27 -4.314 -3.939 9.975 1.00 99.99 C ATOM 877 C VAL C 27 -3.424 -5.056 9.451 1.00 99.99 C ATOM 878 O VAL C 27 -2.621 -4.808 8.587 1.00 99.99 O ATOM 879 CB VAL C 27 -3.745 -3.538 11.343 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.255 -3.161 11.225 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.536 -2.333 11.898 1.00 99.99 C ATOM 0 H VAL C 27 -6.061 -4.470 11.000 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.326 -3.067 9.321 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.838 -4.387 12.020 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.872 -2.880 12.206 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.693 -4.015 10.847 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -2.145 -2.321 10.539 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -4.132 -2.049 12.869 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.450 -1.493 11.209 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.586 -2.606 12.008 1.00 99.99 H new ATOM 891 N VAL C 28 -3.583 -6.196 9.971 1.00 99.99 N ATOM 892 CA VAL C 28 -2.781 -7.350 9.583 1.00 99.99 C ATOM 893 C VAL C 28 -3.159 -7.774 8.173 1.00 99.99 C ATOM 894 O VAL C 28 -2.286 -8.056 7.391 1.00 99.99 O ATOM 895 CB VAL C 28 -3.017 -8.570 10.482 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.290 -9.817 9.937 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.539 -8.261 11.915 1.00 99.99 C ATOM 0 H VAL C 28 -4.276 -6.395 10.693 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.739 -7.041 9.665 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.086 -8.784 10.493 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.477 -10.664 10.596 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.660 -10.046 8.938 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.218 -9.622 9.891 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.708 -9.130 12.550 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.475 -8.024 11.901 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -3.095 -7.410 12.308 1.00 99.99 H new ATOM 907 N ALA C 29 -4.391 -7.812 7.907 1.00 99.99 N ATOM 908 CA ALA C 29 -4.897 -8.227 6.602 1.00 99.99 C ATOM 909 C ALA C 29 -4.374 -7.276 5.535 1.00 99.99 C ATOM 910 O ALA C 29 -3.986 -7.732 4.488 1.00 99.99 O ATOM 911 CB ALA C 29 -6.428 -8.177 6.511 1.00 99.99 C ATOM 0 H ALA C 29 -5.120 -7.559 8.574 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.562 -9.254 6.456 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.744 -8.496 5.518 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.859 -8.841 7.260 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.770 -7.158 6.690 1.00 99.99 H new ATOM 917 N ALA C 30 -4.388 -6.047 5.817 1.00 99.99 N ATOM 918 CA ALA C 30 -3.939 -5.026 4.878 1.00 99.99 C ATOM 919 C ALA C 30 -2.465 -5.235 4.570 1.00 99.99 C ATOM 920 O ALA C 30 -2.062 -5.006 3.456 1.00 99.99 O ATOM 921 CB ALA C 30 -4.063 -3.603 5.440 1.00 99.99 C ATOM 0 H ALA C 30 -4.710 -5.677 6.711 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.573 -5.123 3.997 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.714 -2.886 4.696 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.106 -3.397 5.681 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.457 -3.514 6.342 1.00 99.99 H new ATOM 927 N SER C 31 -1.743 -5.644 5.518 1.00 99.99 N ATOM 928 CA SER C 31 -0.309 -5.864 5.370 1.00 99.99 C ATOM 929 C SER C 31 -0.072 -6.946 4.327 1.00 99.99 C ATOM 930 O SER C 31 0.753 -6.761 3.468 1.00 99.99 O ATOM 931 CB SER C 31 0.358 -6.353 6.662 1.00 99.99 C ATOM 932 OG SER C 31 0.307 -5.347 7.672 1.00 99.99 O ATOM 0 H SER C 31 -2.101 -5.850 6.451 1.00 99.99 H new ATOM 0 HA SER C 31 0.120 -4.903 5.088 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.142 -7.255 7.015 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.395 -6.621 6.462 1.00 99.99 H new ATOM 0 HG SER C 31 -0.623 -5.209 7.950 1.00 99.99 H new ATOM 938 N ILE C 32 -0.764 -7.996 4.435 1.00 99.99 N ATOM 939 CA ILE C 32 -0.622 -9.122 3.521 1.00 99.99 C ATOM 940 C ILE C 32 -1.041 -8.695 2.122 1.00 99.99 C ATOM 941 O ILE C 32 -0.429 -9.111 1.174 1.00 99.99 O ATOM 942 CB ILE C 32 -1.516 -10.312 3.897 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.069 -10.909 5.249 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.477 -11.398 2.801 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.110 -11.855 5.862 1.00 99.99 C ATOM 0 H ILE C 32 -1.467 -8.136 5.161 1.00 99.99 H new ATOM 0 HA ILE C 32 0.423 -9.426 3.573 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.541 -9.952 3.988 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.133 -11.450 5.109 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.867 -10.098 5.949 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.118 -12.230 3.091 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.831 -10.978 1.860 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.454 -11.754 2.678 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.737 -12.241 6.810 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.040 -11.312 6.032 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.294 -12.685 5.180 1.00 99.99 H new ATOM 957 N ILE C 33 -2.031 -7.917 2.046 1.00 99.99 N ATOM 958 CA ILE C 33 -2.559 -7.447 0.770 1.00 99.99 C ATOM 959 C ILE C 33 -1.480 -6.664 0.035 1.00 99.99 C ATOM 960 O ILE C 33 -1.280 -6.894 -1.130 1.00 99.99 O ATOM 961 CB ILE C 33 -3.750 -6.492 0.928 1.00 99.99 C ATOM 962 CG1 ILE C 33 -5.034 -7.336 1.131 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.900 -5.544 -0.275 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.235 -6.554 1.675 1.00 99.99 C ATOM 0 H ILE C 33 -2.532 -7.561 2.860 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.881 -8.337 0.229 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.577 -5.857 1.797 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.312 -7.785 0.177 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.810 -8.154 1.815 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.756 -4.888 -0.117 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -2.997 -4.943 -0.380 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -4.054 -6.129 -1.182 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.087 -7.225 1.785 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -5.982 -6.127 2.646 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.491 -5.753 0.982 1.00 99.99 H new ATOM 976 N GLY C 34 -0.850 -5.804 0.710 1.00 99.99 N ATOM 977 CA GLY C 34 0.194 -4.966 0.128 1.00 99.99 C ATOM 978 C GLY C 34 1.363 -5.840 -0.295 1.00 99.99 C ATOM 979 O GLY C 34 1.979 -5.552 -1.291 1.00 99.99 O ATOM 0 H GLY C 34 -1.019 -5.630 1.701 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.198 -4.422 -0.731 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.525 -4.222 0.853 1.00 99.99 H new ATOM 983 N ILE C 35 1.317 -7.116 0.052 1.00 99.99 N ATOM 984 CA ILE C 35 2.367 -7.983 -0.475 1.00 99.99 C ATOM 985 C ILE C 35 1.860 -8.686 -1.724 1.00 99.99 C ATOM 986 O ILE C 35 2.560 -8.716 -2.704 1.00 99.99 O ATOM 987 CB ILE C 35 2.779 -9.087 0.507 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.302 -8.467 1.827 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.861 -9.981 -0.135 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.447 -9.454 2.989 1.00 99.99 C ATOM 0 H ILE C 35 0.619 -7.555 0.653 1.00 99.99 H new ATOM 0 HA ILE C 35 3.225 -7.339 -0.671 1.00 99.99 H new ATOM 0 HB ILE C 35 1.907 -9.699 0.738 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.272 -8.007 1.636 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.625 -7.668 2.130 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.150 -10.763 0.567 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.465 -10.436 -1.043 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.733 -9.376 -0.383 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.819 -8.928 3.869 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.477 -9.896 3.214 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.149 -10.241 2.713 1.00 99.99 H new ATOM 1002 N LEU C 36 0.713 -9.208 -1.652 1.00 99.99 N ATOM 1003 CA LEU C 36 0.116 -9.938 -2.765 1.00 99.99 C ATOM 1004 C LEU C 36 0.004 -9.013 -3.969 1.00 99.99 C ATOM 1005 O LEU C 36 0.297 -9.433 -5.058 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.306 -10.428 -2.463 1.00 99.99 C ATOM 1007 CG LEU C 36 -2.044 -11.092 -3.644 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.327 -12.370 -4.099 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.507 -11.384 -3.285 1.00 99.99 C ATOM 0 H LEU C 36 0.123 -9.161 -0.821 1.00 99.99 H new ATOM 0 HA LEU C 36 0.760 -10.798 -2.949 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.259 -11.141 -1.640 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.898 -9.581 -2.117 1.00 99.99 H new ATOM 0 HG LEU C 36 -2.035 -10.389 -4.477 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.871 -12.815 -4.932 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.313 -12.125 -4.416 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.287 -13.079 -3.272 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -4.004 -11.852 -4.135 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.544 -12.056 -2.428 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -4.014 -10.451 -3.037 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.444 -7.752 -3.769 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.652 -6.772 -4.809 1.00 99.99 C ATOM 1023 C HIS C 37 0.652 -6.457 -5.492 1.00 99.99 C ATOM 1024 O HIS C 37 0.676 -6.114 -6.673 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.250 -5.464 -4.238 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.670 -4.466 -5.286 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -1.916 -3.152 -4.992 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.929 -4.634 -6.605 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.303 -2.541 -6.104 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.318 -3.419 -7.097 1.00 99.99 N ATOM 0 H HIS C 37 -0.672 -7.397 -2.840 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.355 -7.196 -5.526 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -2.114 -5.712 -3.622 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.514 -4.998 -3.583 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.844 -5.555 -7.163 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.564 -1.496 -6.187 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.576 -3.222 -8.064 1.00 99.99 H new ATOM 1038 N LEU C 38 1.775 -6.611 -4.751 1.00 99.99 N ATOM 1039 CA LEU C 38 3.115 -6.359 -5.267 1.00 99.99 C ATOM 1040 C LEU C 38 3.502 -7.473 -6.229 1.00 99.99 C ATOM 1041 O LEU C 38 4.025 -7.187 -7.276 1.00 99.99 O ATOM 1042 CB LEU C 38 4.188 -6.343 -4.169 1.00 99.99 C ATOM 1043 CG LEU C 38 5.619 -6.101 -4.708 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.728 -4.763 -5.452 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.672 -6.185 -3.603 1.00 99.99 C ATOM 0 H LEU C 38 1.762 -6.915 -3.777 1.00 99.99 H new ATOM 0 HA LEU C 38 3.078 -5.380 -5.745 1.00 99.99 H new ATOM 0 HB2 LEU C 38 3.944 -5.565 -3.445 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.165 -7.293 -3.636 1.00 99.99 H new ATOM 0 HG LEU C 38 5.819 -6.902 -5.419 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.747 -4.630 -5.815 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.039 -4.759 -6.297 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.475 -3.948 -4.774 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.660 -6.009 -4.028 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.464 -5.431 -2.844 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.644 -7.175 -3.148 1.00 99.99 H new ATOM 1057 N ILE C 39 3.249 -8.650 -5.859 1.00 99.99 N ATOM 1058 CA ILE C 39 3.591 -9.815 -6.668 1.00 99.99 C ATOM 1059 C ILE C 39 2.760 -9.800 -7.942 1.00 99.99 C ATOM 1060 O ILE C 39 3.292 -10.067 -8.991 1.00 99.99 O ATOM 1061 CB ILE C 39 3.281 -11.144 -5.965 1.00 99.99 C ATOM 1062 CG1 ILE C 39 4.218 -11.325 -4.750 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.439 -12.320 -6.951 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.867 -12.535 -3.873 1.00 99.99 C ATOM 0 H ILE C 39 2.791 -8.877 -4.976 1.00 99.99 H new ATOM 0 HA ILE C 39 4.662 -9.752 -6.859 1.00 99.99 H new ATOM 0 HB ILE C 39 2.249 -11.129 -5.613 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.243 -11.431 -5.106 1.00 99.99 H new ATOM 0 HG13 ILE C 39 4.184 -10.423 -4.139 1.00 99.99 H new ATOM 0 HG21 ILE C 39 3.216 -13.256 -6.439 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.750 -12.190 -7.786 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.462 -12.346 -7.326 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.568 -12.597 -3.041 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.854 -12.423 -3.487 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.929 -13.446 -4.468 1.00 99.99 H new ATOM 1076 N LEU C 40 1.539 -9.513 -7.818 1.00 99.99 N ATOM 1077 CA LEU C 40 0.622 -9.487 -8.951 1.00 99.99 C ATOM 1078 C LEU C 40 1.104 -8.463 -9.967 1.00 99.99 C ATOM 1079 O LEU C 40 1.097 -8.750 -11.137 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.801 -9.069 -8.559 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.594 -10.103 -7.729 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -2.952 -9.503 -7.314 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.813 -11.418 -8.489 1.00 99.99 C ATOM 0 H LEU C 40 1.103 -9.279 -6.926 1.00 99.99 H new ATOM 0 HA LEU C 40 0.602 -10.501 -9.350 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.745 -8.140 -7.992 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.361 -8.853 -9.469 1.00 99.99 H new ATOM 0 HG LEU C 40 -1.002 -10.337 -6.844 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.509 -10.234 -6.729 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.786 -8.608 -6.714 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.522 -9.241 -8.206 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.375 -12.111 -7.863 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.372 -11.221 -9.404 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.848 -11.858 -8.741 1.00 99.99 H new ATOM 1095 N TRP C 41 1.487 -7.350 -9.510 1.00 99.99 N ATOM 1096 CA TRP C 41 1.948 -6.268 -10.371 1.00 99.99 C ATOM 1097 C TRP C 41 3.266 -6.669 -11.016 1.00 99.99 C ATOM 1098 O TRP C 41 3.449 -6.418 -12.181 1.00 99.99 O ATOM 1099 CB TRP C 41 2.217 -4.967 -9.603 1.00 99.99 C ATOM 1100 CG TRP C 41 2.597 -3.794 -10.489 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.760 -3.031 -11.244 1.00 99.99 C ATOM 1102 CD2 TRP C 41 3.933 -3.348 -10.776 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.470 -2.081 -11.922 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.809 -2.281 -11.685 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.182 -3.777 -10.316 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 4.930 -1.605 -12.143 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.308 -3.101 -10.791 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.191 -2.027 -11.691 1.00 99.99 C ATOM 0 H TRP C 41 1.503 -7.125 -8.515 1.00 99.99 H new ATOM 0 HA TRP C 41 1.156 -6.095 -11.100 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.327 -4.704 -9.031 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.018 -5.140 -8.884 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.689 -3.158 -11.299 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.073 -1.346 -12.507 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.272 -4.599 -9.621 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.836 -0.776 -12.829 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.289 -3.409 -10.460 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.080 -1.521 -12.038 1.00 99.99 H new ATOM 1119 N ILE C 42 4.108 -7.242 -10.269 1.00 99.99 N ATOM 1120 CA ILE C 42 5.423 -7.655 -10.749 1.00 99.99 C ATOM 1121 C ILE C 42 5.254 -8.739 -11.804 1.00 99.99 C ATOM 1122 O ILE C 42 5.941 -8.703 -12.794 1.00 99.99 O ATOM 1123 CB ILE C 42 6.298 -8.260 -9.645 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.752 -7.155 -8.662 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.526 -8.977 -10.246 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.556 -7.688 -7.466 1.00 99.99 C ATOM 0 H ILE C 42 3.937 -7.457 -9.287 1.00 99.99 H new ATOM 0 HA ILE C 42 5.904 -6.757 -11.137 1.00 99.99 H new ATOM 0 HB ILE C 42 5.705 -8.997 -9.103 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.358 -6.427 -9.201 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.874 -6.626 -8.292 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.131 -9.398 -9.443 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.193 -9.777 -10.907 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.123 -8.263 -10.814 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.841 -6.858 -6.820 1.00 99.99 H new ATOM 0 HD12 ILE C 42 6.945 -8.394 -6.903 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.453 -8.191 -7.826 1.00 99.99 H new ATOM 1138 N LEU C 43 4.394 -9.630 -11.566 1.00 99.99 N ATOM 1139 CA LEU C 43 4.149 -10.741 -12.478 1.00 99.99 C ATOM 1140 C LEU C 43 3.582 -10.204 -13.785 1.00 99.99 C ATOM 1141 O LEU C 43 3.894 -10.735 -14.821 1.00 99.99 O ATOM 1142 CB LEU C 43 3.119 -11.741 -11.938 1.00 99.99 C ATOM 1143 CG LEU C 43 3.609 -12.570 -10.727 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.432 -13.336 -10.096 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.728 -13.549 -11.114 1.00 99.99 C ATOM 0 H LEU C 43 3.811 -9.643 -10.729 1.00 99.99 H new ATOM 0 HA LEU C 43 5.106 -11.246 -12.608 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.219 -11.198 -11.651 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.837 -12.423 -12.740 1.00 99.99 H new ATOM 0 HG LEU C 43 4.021 -11.871 -9.998 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.790 -13.916 -9.245 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.675 -12.627 -9.760 1.00 99.99 H new ATOM 0 HD13 LEU C 43 1.997 -14.008 -10.836 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.041 -14.110 -10.233 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.361 -14.240 -11.873 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.577 -12.993 -11.511 1.00 99.99 H new ATOM 1157 N ASP C 44 2.794 -9.223 -13.697 1.00 99.99 N ATOM 1158 CA ASP C 44 2.157 -8.627 -14.863 1.00 99.99 C ATOM 1159 C ASP C 44 3.217 -7.959 -15.730 1.00 99.99 C ATOM 1160 O ASP C 44 3.144 -8.064 -16.928 1.00 99.99 O ATOM 1161 CB ASP C 44 1.144 -7.532 -14.499 1.00 99.99 C ATOM 1162 CG ASP C 44 0.413 -6.971 -15.734 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.365 -7.730 -16.360 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.578 -5.755 -16.051 1.00 99.99 O ATOM 0 H ASP C 44 2.545 -8.777 -12.814 1.00 99.99 H new ATOM 0 HA ASP C 44 1.640 -9.438 -15.375 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.412 -7.937 -13.800 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.660 -6.720 -13.986 1.00 99.99 H new ATOM 1169 N ARG C 45 4.119 -7.319 -15.125 1.00 99.99 N ATOM 1170 CA ARG C 45 5.183 -6.612 -15.830 1.00 99.99 C ATOM 1171 C ARG C 45 6.040 -7.615 -16.588 1.00 99.99 C ATOM 1172 O ARG C 45 6.361 -7.369 -17.722 1.00 99.99 O ATOM 1173 CB ARG C 45 6.130 -5.862 -14.884 1.00 99.99 C ATOM 1174 CG ARG C 45 5.454 -4.709 -14.113 1.00 99.99 C ATOM 1175 CD ARG C 45 5.206 -3.468 -14.981 1.00 99.99 C ATOM 1176 NE ARG C 45 3.813 -3.550 -15.549 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.468 -2.865 -16.656 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.342 -2.061 -17.287 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.208 -2.974 -17.106 1.00 99.99 N ATOM 0 H ARG C 45 4.174 -7.247 -14.109 1.00 99.99 H new ATOM 0 HA ARG C 45 4.690 -5.896 -16.488 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.549 -6.569 -14.168 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.963 -5.461 -15.461 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.504 -5.058 -13.709 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.079 -4.432 -13.264 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.319 -2.562 -14.386 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.940 -3.416 -15.785 1.00 99.99 H new ATOM 0 HE ARG C 45 3.118 -4.136 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.292 -1.959 -16.929 1.00 99.99 H new ATOM 0 HH12 ARG C 45 4.055 -1.553 -18.124 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.539 -3.565 -16.612 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.919 -2.466 -17.942 1.00 99.99 H new ATOM 1193 N LEU C 46 6.370 -8.660 -15.963 1.00 99.99 N ATOM 1194 CA LEU C 46 7.209 -9.693 -16.559 1.00 99.99 C ATOM 1195 C LEU C 46 6.458 -10.351 -17.706 1.00 99.99 C ATOM 1196 O LEU C 46 5.455 -11.032 -17.498 1.00 99.99 O ATOM 1197 CB LEU C 46 7.566 -10.815 -15.575 1.00 99.99 C ATOM 1198 CG LEU C 46 8.335 -10.417 -14.291 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.371 -11.636 -13.349 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.758 -9.918 -14.565 1.00 99.99 C ATOM 0 H LEU C 46 6.080 -8.861 -15.006 1.00 99.99 H new ATOM 0 HA LEU C 46 8.123 -9.195 -16.882 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.641 -11.307 -15.275 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.162 -11.555 -16.109 1.00 99.99 H new ATOM 0 HG LEU C 46 7.808 -9.581 -13.832 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.909 -11.376 -12.438 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.352 -11.931 -13.097 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.877 -12.464 -13.845 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.240 -9.656 -13.623 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.330 -10.703 -15.059 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.718 -9.039 -15.208 1.00 99.99 H new ATOM 1213 N SER D 22 10.396 -0.523 18.946 1.00 99.99 N ATOM 1214 CA SER D 22 10.116 -1.252 17.676 1.00 99.99 C ATOM 1215 C SER D 22 8.656 -1.593 17.532 1.00 99.99 C ATOM 1216 O SER D 22 7.864 -1.425 18.460 1.00 99.99 O ATOM 1217 CB SER D 22 11.006 -2.530 17.545 1.00 99.99 C ATOM 1218 OG SER D 22 10.756 -3.495 18.564 1.00 99.99 O ATOM 0 HA SER D 22 10.374 -0.578 16.859 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.833 -2.987 16.571 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.056 -2.239 17.579 1.00 99.99 H new ATOM 0 HG SER D 22 11.339 -4.271 18.430 1.00 99.99 H new ATOM 1223 N SER D 23 8.278 -2.094 16.332 1.00 99.99 N ATOM 1224 CA SER D 23 6.948 -2.575 16.042 1.00 99.99 C ATOM 1225 C SER D 23 7.121 -4.005 15.595 1.00 99.99 C ATOM 1226 O SER D 23 8.178 -4.600 15.800 1.00 99.99 O ATOM 1227 CB SER D 23 6.231 -1.735 14.957 1.00 99.99 C ATOM 1228 OG SER D 23 6.052 -0.399 15.409 1.00 99.99 O ATOM 0 H SER D 23 8.915 -2.167 15.539 1.00 99.99 H new ATOM 0 HA SER D 23 6.313 -2.495 16.924 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.816 -1.740 14.037 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.264 -2.180 14.722 1.00 99.99 H new ATOM 0 HG SER D 23 5.599 0.123 14.714 1.00 99.99 H new ATOM 1234 N ASP D 24 6.061 -4.607 14.995 1.00 99.99 N ATOM 1235 CA ASP D 24 6.023 -6.015 14.643 1.00 99.99 C ATOM 1236 C ASP D 24 6.626 -6.184 13.265 1.00 99.99 C ATOM 1237 O ASP D 24 6.566 -5.237 12.488 1.00 99.99 O ATOM 1238 CB ASP D 24 4.572 -6.571 14.613 1.00 99.99 C ATOM 1239 CG ASP D 24 3.909 -6.488 15.991 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.635 -6.397 17.018 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.649 -6.525 16.031 1.00 99.99 O ATOM 0 H ASP D 24 5.208 -4.105 14.747 1.00 99.99 H new ATOM 0 HA ASP D 24 6.583 -6.565 15.399 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.981 -6.009 13.890 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.586 -7.608 14.277 1.00 99.99 H new ATOM 1246 N PRO D 25 7.233 -7.313 12.894 1.00 99.99 N ATOM 1247 CA PRO D 25 8.117 -7.388 11.740 1.00 99.99 C ATOM 1248 C PRO D 25 7.371 -7.376 10.424 1.00 99.99 C ATOM 1249 O PRO D 25 7.972 -6.959 9.447 1.00 99.99 O ATOM 1250 CB PRO D 25 8.883 -8.709 11.922 1.00 99.99 C ATOM 1251 CG PRO D 25 7.975 -9.554 12.819 1.00 99.99 C ATOM 1252 CD PRO D 25 7.344 -8.505 13.732 1.00 99.99 C ATOM 0 HA PRO D 25 8.772 -6.518 11.695 1.00 99.99 H new ATOM 0 HB2 PRO D 25 9.064 -9.199 10.965 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.856 -8.544 12.384 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.224 -10.095 12.242 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.539 -10.297 13.383 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.368 -8.829 14.094 1.00 99.99 H new ATOM 0 HD3 PRO D 25 7.963 -8.318 14.609 1.00 99.99 H new ATOM 1260 N LEU D 26 6.097 -7.830 10.382 1.00 99.99 N ATOM 1261 CA LEU D 26 5.176 -7.790 9.254 1.00 99.99 C ATOM 1262 C LEU D 26 4.722 -6.357 9.023 1.00 99.99 C ATOM 1263 O LEU D 26 4.672 -5.933 7.897 1.00 99.99 O ATOM 1264 CB LEU D 26 3.902 -8.614 9.492 1.00 99.99 C ATOM 1265 CG LEU D 26 2.776 -8.452 8.446 1.00 99.99 C ATOM 1266 CD1 LEU D 26 3.185 -8.946 7.056 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.503 -9.166 8.921 1.00 99.99 C ATOM 0 H LEU D 26 5.668 -8.262 11.201 1.00 99.99 H new ATOM 0 HA LEU D 26 5.718 -8.204 8.404 1.00 99.99 H new ATOM 0 HB2 LEU D 26 4.179 -9.667 9.536 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.501 -8.349 10.470 1.00 99.99 H new ATOM 0 HG LEU D 26 2.577 -7.384 8.352 1.00 99.99 H new ATOM 0 HD11 LEU D 26 2.356 -8.808 6.362 1.00 99.99 H new ATOM 0 HD12 LEU D 26 4.048 -8.379 6.708 1.00 99.99 H new ATOM 0 HD13 LEU D 26 3.443 -10.004 7.107 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.718 -9.044 8.175 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.711 -10.227 9.059 1.00 99.99 H new ATOM 0 HD23 LEU D 26 1.175 -8.735 9.867 1.00 99.99 H new ATOM 1279 N VAL D 27 4.413 -5.692 10.051 1.00 99.99 N ATOM 1280 CA VAL D 27 3.939 -4.314 9.975 1.00 99.99 C ATOM 1281 C VAL D 27 5.056 -3.424 9.451 1.00 99.99 C ATOM 1282 O VAL D 27 4.808 -2.621 8.587 1.00 99.99 O ATOM 1283 CB VAL D 27 3.538 -3.745 11.343 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.161 -2.255 11.225 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.333 -4.536 11.898 1.00 99.99 C ATOM 0 H VAL D 27 4.470 -6.061 11.000 1.00 99.99 H new ATOM 0 HA VAL D 27 3.067 -4.326 9.321 1.00 99.99 H new ATOM 0 HB VAL D 27 4.387 -3.838 12.020 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.880 -1.872 12.206 1.00 99.99 H new ATOM 0 HG12 VAL D 27 4.015 -1.693 10.847 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.321 -2.145 10.539 1.00 99.99 H new ATOM 0 HG21 VAL D 27 2.049 -4.132 12.869 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.493 -4.450 11.209 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.606 -5.586 12.008 1.00 99.99 H new ATOM 1295 N VAL D 28 6.196 -3.583 9.971 1.00 99.99 N ATOM 1296 CA VAL D 28 7.350 -2.781 9.583 1.00 99.99 C ATOM 1297 C VAL D 28 7.774 -3.159 8.173 1.00 99.99 C ATOM 1298 O VAL D 28 8.056 -2.286 7.391 1.00 99.99 O ATOM 1299 CB VAL D 28 8.570 -3.017 10.482 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.817 -2.290 9.937 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.261 -2.539 11.915 1.00 99.99 C ATOM 0 H VAL D 28 6.395 -4.276 10.693 1.00 99.99 H new ATOM 0 HA VAL D 28 7.041 -1.739 9.665 1.00 99.99 H new ATOM 0 HB VAL D 28 8.784 -4.086 10.493 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.664 -2.477 10.596 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.046 -2.660 8.938 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.622 -1.218 9.891 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.130 -2.708 12.550 1.00 99.99 H new ATOM 0 HG22 VAL D 28 8.024 -1.475 11.901 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.410 -3.095 12.308 1.00 99.99 H new ATOM 1311 N ALA D 29 7.812 -4.391 7.907 1.00 99.99 N ATOM 1312 CA ALA D 29 8.227 -4.897 6.602 1.00 99.99 C ATOM 1313 C ALA D 29 7.276 -4.374 5.535 1.00 99.99 C ATOM 1314 O ALA D 29 7.732 -3.986 4.488 1.00 99.99 O ATOM 1315 CB ALA D 29 8.177 -6.428 6.511 1.00 99.99 C ATOM 0 H ALA D 29 7.559 -5.120 8.574 1.00 99.99 H new ATOM 0 HA ALA D 29 9.254 -4.562 6.456 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.496 -6.744 5.518 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.841 -6.859 7.260 1.00 99.99 H new ATOM 0 HB3 ALA D 29 7.158 -6.770 6.690 1.00 99.99 H new ATOM 1321 N ALA D 30 6.047 -4.388 5.817 1.00 99.99 N ATOM 1322 CA ALA D 30 5.026 -3.939 4.878 1.00 99.99 C ATOM 1323 C ALA D 30 5.235 -2.465 4.570 1.00 99.99 C ATOM 1324 O ALA D 30 5.006 -2.062 3.456 1.00 99.99 O ATOM 1325 CB ALA D 30 3.603 -4.063 5.440 1.00 99.99 C ATOM 0 H ALA D 30 5.677 -4.710 6.711 1.00 99.99 H new ATOM 0 HA ALA D 30 5.123 -4.573 3.997 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.886 -3.714 4.696 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.397 -5.106 5.681 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.514 -3.457 6.342 1.00 99.99 H new ATOM 1331 N SER D 31 5.644 -1.743 5.518 1.00 99.99 N ATOM 1332 CA SER D 31 5.864 -0.309 5.370 1.00 99.99 C ATOM 1333 C SER D 31 6.946 -0.072 4.327 1.00 99.99 C ATOM 1334 O SER D 31 6.761 0.753 3.468 1.00 99.99 O ATOM 1335 CB SER D 31 6.353 0.358 6.662 1.00 99.99 C ATOM 1336 OG SER D 31 5.347 0.307 7.672 1.00 99.99 O ATOM 0 H SER D 31 5.850 -2.101 6.451 1.00 99.99 H new ATOM 0 HA SER D 31 4.903 0.120 5.088 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.255 -0.142 7.015 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.621 1.395 6.462 1.00 99.99 H new ATOM 0 HG SER D 31 5.175 -0.627 7.916 1.00 99.99 H new ATOM 1342 N ILE D 32 7.996 -0.764 4.435 1.00 99.99 N ATOM 1343 CA ILE D 32 9.122 -0.622 3.521 1.00 99.99 C ATOM 1344 C ILE D 32 8.695 -1.041 2.122 1.00 99.99 C ATOM 1345 O ILE D 32 9.111 -0.429 1.174 1.00 99.99 O ATOM 1346 CB ILE D 32 10.312 -1.516 3.897 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.909 -1.069 5.249 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.398 -1.477 2.801 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.855 -2.110 5.862 1.00 99.99 C ATOM 0 H ILE D 32 8.136 -1.467 5.161 1.00 99.99 H new ATOM 0 HA ILE D 32 9.426 0.423 3.573 1.00 99.99 H new ATOM 0 HB ILE D 32 9.952 -2.541 3.988 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.450 -0.133 5.109 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.098 -0.867 5.949 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.230 -2.118 3.091 1.00 99.99 H new ATOM 0 HG22 ILE D 32 10.978 -1.831 1.860 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.754 -0.454 2.678 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.241 -1.737 6.810 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.312 -3.040 6.032 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.685 -2.294 5.180 1.00 99.99 H new ATOM 1361 N ILE D 33 7.917 -2.031 2.046 1.00 99.99 N ATOM 1362 CA ILE D 33 7.447 -2.559 0.770 1.00 99.99 C ATOM 1363 C ILE D 33 6.664 -1.480 0.035 1.00 99.99 C ATOM 1364 O ILE D 33 6.894 -1.280 -1.130 1.00 99.99 O ATOM 1365 CB ILE D 33 6.492 -3.750 0.928 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.336 -5.034 1.131 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.544 -3.900 -0.275 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.554 -6.235 1.675 1.00 99.99 C ATOM 0 H ILE D 33 7.561 -2.532 2.860 1.00 99.99 H new ATOM 0 HA ILE D 33 8.337 -2.881 0.229 1.00 99.99 H new ATOM 0 HB ILE D 33 5.857 -3.577 1.797 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.785 -5.312 0.177 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.154 -4.810 1.815 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.888 -4.756 -0.117 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.943 -2.997 -0.380 1.00 99.99 H new ATOM 0 HG23 ILE D 33 6.129 -4.054 -1.182 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.225 -7.087 1.785 1.00 99.99 H new ATOM 0 HD12 ILE D 33 6.127 -5.982 2.646 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.753 -6.491 0.982 1.00 99.99 H new ATOM 1380 N GLY D 34 5.804 -0.850 0.710 1.00 99.99 N ATOM 1381 CA GLY D 34 4.966 0.194 0.128 1.00 99.99 C ATOM 1382 C GLY D 34 5.840 1.363 -0.295 1.00 99.99 C ATOM 1383 O GLY D 34 5.552 1.979 -1.291 1.00 99.99 O ATOM 0 H GLY D 34 5.630 -1.019 1.701 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.422 -0.198 -0.731 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.222 0.525 0.853 1.00 99.99 H new ATOM 1387 N ILE D 35 7.116 1.317 0.052 1.00 99.99 N ATOM 1388 CA ILE D 35 7.983 2.367 -0.475 1.00 99.99 C ATOM 1389 C ILE D 35 8.686 1.860 -1.724 1.00 99.99 C ATOM 1390 O ILE D 35 8.716 2.560 -2.704 1.00 99.99 O ATOM 1391 CB ILE D 35 9.087 2.779 0.507 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.467 3.302 1.827 1.00 99.99 C ATOM 1393 CG2 ILE D 35 9.981 3.861 -0.135 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.454 3.447 2.989 1.00 99.99 C ATOM 0 H ILE D 35 7.555 0.619 0.653 1.00 99.99 H new ATOM 0 HA ILE D 35 7.339 3.225 -0.671 1.00 99.99 H new ATOM 0 HB ILE D 35 9.699 1.907 0.738 1.00 99.99 H new ATOM 0 HG12 ILE D 35 8.007 4.272 1.636 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.668 2.625 2.130 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.763 4.150 0.567 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.436 3.465 -1.043 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.376 4.733 -0.383 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.928 3.819 3.869 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.896 2.477 3.214 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.241 4.149 2.713 1.00 99.99 H new ATOM 1406 N LEU D 36 9.208 0.713 -1.652 1.00 99.99 N ATOM 1407 CA LEU D 36 9.938 0.116 -2.765 1.00 99.99 C ATOM 1408 C LEU D 36 9.013 0.004 -3.969 1.00 99.99 C ATOM 1409 O LEU D 36 9.433 0.297 -5.058 1.00 99.99 O ATOM 1410 CB LEU D 36 10.428 -1.306 -2.463 1.00 99.99 C ATOM 1411 CG LEU D 36 11.092 -2.044 -3.644 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.370 -1.327 -4.099 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.384 -3.507 -3.285 1.00 99.99 C ATOM 0 H LEU D 36 9.161 0.123 -0.821 1.00 99.99 H new ATOM 0 HA LEU D 36 10.798 0.760 -2.949 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.141 -1.259 -1.640 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.581 -1.898 -2.117 1.00 99.99 H new ATOM 0 HG LEU D 36 10.389 -2.035 -4.477 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.815 -1.871 -4.932 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.125 -0.313 -4.416 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.079 -1.287 -3.272 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.852 -4.004 -4.135 1.00 99.99 H new ATOM 0 HD22 LEU D 36 12.056 -3.544 -2.428 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.451 -4.014 -3.037 1.00 99.99 H new ATOM 1425 N HIS D 37 7.752 -0.444 -3.769 1.00 99.99 N ATOM 1426 CA HIS D 37 6.772 -0.652 -4.809 1.00 99.99 C ATOM 1427 C HIS D 37 6.457 0.652 -5.492 1.00 99.99 C ATOM 1428 O HIS D 37 6.114 0.676 -6.673 1.00 99.99 O ATOM 1429 CB HIS D 37 5.464 -1.250 -4.238 1.00 99.99 C ATOM 1430 CG HIS D 37 4.466 -1.670 -5.286 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.152 -1.916 -4.992 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.634 -1.929 -6.605 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.541 -2.303 -6.104 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.419 -2.318 -7.097 1.00 99.99 N ATOM 0 H HIS D 37 7.397 -0.672 -2.840 1.00 99.99 H new ATOM 0 HA HIS D 37 7.196 -1.355 -5.526 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.712 -2.114 -3.622 1.00 99.99 H new ATOM 0 HB3 HIS D 37 4.998 -0.514 -3.583 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.555 -1.844 -7.163 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.496 -2.564 -6.187 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.222 -2.576 -8.064 1.00 99.99 H new ATOM 1442 N LEU D 38 6.611 1.775 -4.751 1.00 99.99 N ATOM 1443 CA LEU D 38 6.359 3.115 -5.267 1.00 99.99 C ATOM 1444 C LEU D 38 7.473 3.502 -6.229 1.00 99.99 C ATOM 1445 O LEU D 38 7.187 4.025 -7.276 1.00 99.99 O ATOM 1446 CB LEU D 38 6.343 4.188 -4.169 1.00 99.99 C ATOM 1447 CG LEU D 38 6.101 5.619 -4.708 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.763 5.728 -5.452 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.185 6.672 -3.603 1.00 99.99 C ATOM 0 H LEU D 38 6.915 1.762 -3.777 1.00 99.99 H new ATOM 0 HA LEU D 38 5.380 3.078 -5.745 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.565 3.944 -3.445 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.293 4.165 -3.636 1.00 99.99 H new ATOM 0 HG LEU D 38 6.902 5.819 -5.419 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.630 6.747 -5.815 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.759 5.039 -6.297 1.00 99.99 H new ATOM 0 HD13 LEU D 38 3.948 5.475 -4.774 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.009 7.660 -4.028 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.431 6.464 -2.844 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.175 6.644 -3.148 1.00 99.99 H new ATOM 1461 N ILE D 39 8.650 3.249 -5.859 1.00 99.99 N ATOM 1462 CA ILE D 39 9.815 3.591 -6.668 1.00 99.99 C ATOM 1463 C ILE D 39 9.800 2.760 -7.942 1.00 99.99 C ATOM 1464 O ILE D 39 10.067 3.292 -8.991 1.00 99.99 O ATOM 1465 CB ILE D 39 11.144 3.281 -5.965 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.325 4.218 -4.750 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.320 3.439 -6.951 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.535 3.867 -3.873 1.00 99.99 C ATOM 0 H ILE D 39 8.877 2.791 -4.976 1.00 99.99 H new ATOM 0 HA ILE D 39 9.752 4.662 -6.859 1.00 99.99 H new ATOM 0 HB ILE D 39 11.129 2.249 -5.613 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.431 5.243 -5.106 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.423 4.184 -4.139 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.256 3.216 -6.439 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.190 2.750 -7.786 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.346 4.462 -7.326 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.597 4.568 -3.041 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.423 2.854 -3.487 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.446 3.929 -4.468 1.00 99.99 H new ATOM 1480 N LEU D 40 9.513 1.539 -7.818 1.00 99.99 N ATOM 1481 CA LEU D 40 9.487 0.622 -8.951 1.00 99.99 C ATOM 1482 C LEU D 40 8.463 1.104 -9.967 1.00 99.99 C ATOM 1483 O LEU D 40 8.750 1.097 -11.137 1.00 99.99 O ATOM 1484 CB LEU D 40 9.069 -0.801 -8.559 1.00 99.99 C ATOM 1485 CG LEU D 40 10.103 -1.594 -7.729 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.503 -2.952 -7.314 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.418 -1.813 -8.489 1.00 99.99 C ATOM 0 H LEU D 40 9.279 1.103 -6.926 1.00 99.99 H new ATOM 0 HA LEU D 40 10.501 0.602 -9.350 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.140 -0.745 -7.992 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.853 -1.361 -9.469 1.00 99.99 H new ATOM 0 HG LEU D 40 10.337 -1.002 -6.844 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.234 -3.509 -6.729 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.608 -2.786 -6.714 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.241 -3.522 -8.206 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.111 -2.375 -7.863 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.221 -2.372 -9.404 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.858 -0.848 -8.741 1.00 99.99 H new ATOM 1499 N TRP D 41 7.350 1.487 -9.510 1.00 99.99 N ATOM 1500 CA TRP D 41 6.268 1.948 -10.371 1.00 99.99 C ATOM 1501 C TRP D 41 6.669 3.266 -11.016 1.00 99.99 C ATOM 1502 O TRP D 41 6.418 3.449 -12.181 1.00 99.99 O ATOM 1503 CB TRP D 41 4.967 2.217 -9.603 1.00 99.99 C ATOM 1504 CG TRP D 41 3.794 2.597 -10.489 1.00 99.99 C ATOM 1505 CD1 TRP D 41 3.031 1.760 -11.244 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.348 3.933 -10.776 1.00 99.99 C ATOM 1507 NE1 TRP D 41 2.081 2.470 -11.922 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.281 3.809 -11.685 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.777 5.182 -10.316 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.605 4.930 -12.143 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.101 6.308 -10.791 1.00 99.99 C ATOM 1512 CH2 TRP D 41 2.027 6.191 -11.691 1.00 99.99 C ATOM 0 H TRP D 41 7.125 1.503 -8.515 1.00 99.99 H new ATOM 0 HA TRP D 41 6.095 1.156 -11.100 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.704 1.327 -9.031 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.140 3.018 -8.884 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.158 0.689 -11.299 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.346 2.073 -12.507 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.599 5.272 -9.621 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.776 4.836 -12.829 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.409 7.289 -10.460 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.521 7.080 -12.038 1.00 99.99 H new ATOM 1523 N ILE D 42 7.242 4.108 -10.269 1.00 99.99 N ATOM 1524 CA ILE D 42 7.655 5.423 -10.749 1.00 99.99 C ATOM 1525 C ILE D 42 8.739 5.254 -11.804 1.00 99.99 C ATOM 1526 O ILE D 42 8.703 5.941 -12.794 1.00 99.99 O ATOM 1527 CB ILE D 42 8.260 6.298 -9.645 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.155 6.752 -8.662 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.977 7.526 -10.246 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.688 7.556 -7.466 1.00 99.99 C ATOM 0 H ILE D 42 7.457 3.937 -9.287 1.00 99.99 H new ATOM 0 HA ILE D 42 6.757 5.904 -11.137 1.00 99.99 H new ATOM 0 HB ILE D 42 8.997 5.705 -9.103 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.427 7.358 -9.201 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.626 5.874 -8.292 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.398 8.131 -9.443 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.777 7.193 -10.907 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.263 8.123 -10.814 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.858 7.841 -6.820 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.394 6.945 -6.903 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.191 8.453 -7.826 1.00 99.99 H new ATOM 1542 N LEU D 43 9.630 4.394 -11.566 1.00 99.99 N ATOM 1543 CA LEU D 43 10.741 4.149 -12.478 1.00 99.99 C ATOM 1544 C LEU D 43 10.204 3.582 -13.785 1.00 99.99 C ATOM 1545 O LEU D 43 10.735 3.894 -14.821 1.00 99.99 O ATOM 1546 CB LEU D 43 11.741 3.119 -11.938 1.00 99.99 C ATOM 1547 CG LEU D 43 12.570 3.609 -10.727 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.336 2.432 -10.096 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.549 4.728 -11.114 1.00 99.99 C ATOM 0 H LEU D 43 9.643 3.811 -10.729 1.00 99.99 H new ATOM 0 HA LEU D 43 11.246 5.106 -12.608 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.198 2.219 -11.651 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.423 2.837 -12.740 1.00 99.99 H new ATOM 0 HG LEU D 43 11.871 4.021 -9.998 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.916 2.790 -9.245 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.627 1.675 -9.760 1.00 99.99 H new ATOM 0 HD13 LEU D 43 14.008 1.997 -10.836 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.110 5.041 -10.233 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.240 4.361 -11.873 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.993 5.577 -11.511 1.00 99.99 H new ATOM 1561 N ASP D 44 9.223 2.794 -13.697 1.00 99.99 N ATOM 1562 CA ASP D 44 8.627 2.157 -14.863 1.00 99.99 C ATOM 1563 C ASP D 44 7.959 3.217 -15.730 1.00 99.99 C ATOM 1564 O ASP D 44 8.064 3.144 -16.928 1.00 99.99 O ATOM 1565 CB ASP D 44 7.532 1.144 -14.499 1.00 99.99 C ATOM 1566 CG ASP D 44 6.971 0.413 -15.734 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.730 -0.365 -16.360 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.755 0.578 -16.051 1.00 99.99 O ATOM 0 H ASP D 44 8.777 2.545 -12.814 1.00 99.99 H new ATOM 0 HA ASP D 44 9.438 1.640 -15.375 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.937 0.412 -13.800 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.720 1.660 -13.986 1.00 99.99 H new ATOM 1573 N ARG D 45 7.319 4.119 -15.125 1.00 99.99 N ATOM 1574 CA ARG D 45 6.612 5.183 -15.830 1.00 99.99 C ATOM 1575 C ARG D 45 7.615 6.040 -16.588 1.00 99.99 C ATOM 1576 O ARG D 45 7.369 6.361 -17.722 1.00 99.99 O ATOM 1577 CB ARG D 45 5.862 6.130 -14.884 1.00 99.99 C ATOM 1578 CG ARG D 45 4.709 5.454 -14.113 1.00 99.99 C ATOM 1579 CD ARG D 45 3.468 5.206 -14.981 1.00 99.99 C ATOM 1580 NE ARG D 45 3.550 3.813 -15.549 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.865 3.468 -16.656 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.061 4.342 -17.287 1.00 99.99 N ATOM 1583 NH2 ARG D 45 2.974 2.208 -17.106 1.00 99.99 N ATOM 0 H ARG D 45 7.247 4.174 -14.109 1.00 99.99 H new ATOM 0 HA ARG D 45 5.896 4.690 -16.488 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.569 6.549 -14.168 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.461 6.963 -15.461 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.058 4.504 -13.709 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.432 6.079 -13.264 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.562 5.319 -14.386 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.416 5.940 -15.785 1.00 99.99 H new ATOM 0 HE ARG D 45 4.136 3.118 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.959 5.292 -16.929 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.553 4.055 -18.124 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.565 1.539 -16.612 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.466 1.919 -17.942 1.00 99.99 H new ATOM 1597 N LEU D 46 8.660 6.370 -15.963 1.00 99.99 N ATOM 1598 CA LEU D 46 9.693 7.209 -16.559 1.00 99.99 C ATOM 1599 C LEU D 46 10.351 6.458 -17.706 1.00 99.99 C ATOM 1600 O LEU D 46 11.032 5.455 -17.498 1.00 99.99 O ATOM 1601 CB LEU D 46 10.815 7.566 -15.575 1.00 99.99 C ATOM 1602 CG LEU D 46 10.417 8.335 -14.291 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.636 8.371 -13.349 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.918 9.758 -14.565 1.00 99.99 C ATOM 0 H LEU D 46 8.861 6.080 -15.006 1.00 99.99 H new ATOM 0 HA LEU D 46 9.195 8.123 -16.882 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.307 6.641 -15.275 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.555 8.162 -16.109 1.00 99.99 H new ATOM 0 HG LEU D 46 9.581 7.808 -13.832 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.376 8.909 -12.438 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.931 7.352 -13.097 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.464 8.877 -13.845 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.656 10.240 -13.623 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.703 10.330 -15.059 1.00 99.99 H new ATOM 0 HD23 LEU D 46 9.039 9.718 -15.208 1.00 99.99 H new