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 65:sc= 0.244 USER MOD Single : A 37 HIS : no HD1:sc= -0.777 X(o=-0.78,f=-0.61) 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 66:sc= 0.243 USER MOD Single : B 37 HIS : no HD1:sc= -0.747 X(o=-0.75,f=-0.6) 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 67:sc= 0.239 USER MOD Single : C 37 HIS : no HD1:sc= -0.758 X(o=-0.76,f=-0.6) 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 64:sc= 0.239 USER MOD Single : D 37 HIS : no HD1:sc= -0.783 X(o=-0.78,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.531 10.398 18.950 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 1.405 7.860 18.453 1.00 99.99 O ATOM 5 CB SER A 22 2.529 11.006 17.537 1.00 99.99 C ATOM 6 OG SER A 22 3.500 10.759 18.550 1.00 99.99 O ATOM 0 HA SER A 22 0.573 10.372 16.863 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.980 10.832 16.560 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.237 12.056 17.571 1.00 99.99 H new ATOM 0 HG SER A 22 4.275 11.343 18.410 1.00 99.99 H new ATOM 11 N SER A 23 2.118 8.282 16.340 1.00 99.99 N ATOM 12 CA SER A 23 2.603 6.953 16.054 1.00 99.99 C ATOM 13 C SER A 23 4.030 7.128 15.601 1.00 99.99 C ATOM 14 O SER A 23 4.626 8.184 15.811 1.00 99.99 O ATOM 15 CB SER A 23 1.760 6.229 14.975 1.00 99.99 C ATOM 16 OG SER A 23 0.427 6.047 15.433 1.00 99.99 O ATOM 0 H SER A 23 2.208 8.923 15.551 1.00 99.99 H new ATOM 0 HA SER A 23 2.529 6.322 16.940 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.759 6.811 14.053 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.207 5.263 14.742 1.00 99.99 H new ATOM 0 HG SER A 23 -0.097 5.590 14.742 1.00 99.99 H new ATOM 22 N ASP A 24 4.628 6.074 14.990 1.00 99.99 N ATOM 23 CA ASP A 24 6.034 6.038 14.630 1.00 99.99 C ATOM 24 C ASP A 24 6.193 6.632 13.247 1.00 99.99 C ATOM 25 O ASP A 24 5.245 6.555 12.472 1.00 99.99 O ATOM 26 CB ASP A 24 6.595 4.588 14.607 1.00 99.99 C ATOM 27 CG ASP A 24 6.522 3.934 15.990 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.435 4.667 17.013 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.563 2.675 16.038 1.00 99.99 O ATOM 0 H ASP A 24 4.125 5.223 14.738 1.00 99.99 H new ATOM 0 HA ASP A 24 6.587 6.605 15.379 1.00 99.99 H new ATOM 0 HB2 ASP A 24 6.031 3.990 13.891 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.630 4.603 14.265 1.00 99.99 H new ATOM 34 N PRO A 25 7.315 7.248 12.868 1.00 99.99 N ATOM 35 CA PRO A 25 7.378 8.123 11.707 1.00 99.99 C ATOM 36 C PRO A 25 7.370 7.367 10.398 1.00 99.99 C ATOM 37 O PRO A 25 6.970 7.965 9.411 1.00 99.99 O ATOM 38 CB PRO A 25 8.691 8.905 11.880 1.00 99.99 C ATOM 39 CG PRO A 25 9.547 8.014 12.782 1.00 99.99 C ATOM 40 CD PRO A 25 8.508 7.379 13.702 1.00 99.99 C ATOM 0 HA PRO A 25 6.501 8.769 11.659 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.177 9.083 10.921 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.516 9.880 12.335 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.095 7.265 12.210 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.284 8.591 13.340 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.843 6.410 14.071 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.316 8.003 14.575 1.00 99.99 H new ATOM 48 N LEU A 26 7.811 6.088 10.370 1.00 99.99 N ATOM 49 CA LEU A 26 7.773 5.158 9.249 1.00 99.99 C ATOM 50 C LEU A 26 6.336 4.726 9.001 1.00 99.99 C ATOM 51 O LEU A 26 5.929 4.671 7.868 1.00 99.99 O ATOM 52 CB LEU A 26 8.572 3.874 9.509 1.00 99.99 C ATOM 53 CG LEU A 26 8.407 2.742 8.470 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.928 3.131 7.084 1.00 99.99 C ATOM 55 CD2 LEU A 26 9.093 1.461 8.965 1.00 99.99 C ATOM 0 H LEU A 26 8.230 5.661 11.196 1.00 99.99 H new ATOM 0 HA LEU A 26 8.208 5.686 8.400 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.629 4.134 9.566 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.286 3.485 10.486 1.00 99.99 H new ATOM 0 HG LEU A 26 7.338 2.560 8.363 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.787 2.298 6.395 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.380 4.000 6.720 1.00 99.99 H new ATOM 0 HD13 LEU A 26 9.989 3.372 7.149 1.00 99.99 H new ATOM 0 HD21 LEU A 26 8.969 0.672 8.223 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.155 1.652 9.117 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.643 1.148 9.907 1.00 99.99 H new ATOM 67 N VAL A 27 5.650 4.439 10.021 1.00 99.99 N ATOM 68 CA VAL A 27 4.266 3.987 9.929 1.00 99.99 C ATOM 69 C VAL A 27 3.401 5.119 9.396 1.00 99.99 C ATOM 70 O VAL A 27 2.603 4.884 8.523 1.00 99.99 O ATOM 71 CB VAL A 27 3.675 3.594 11.290 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.181 3.241 11.155 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.441 2.376 11.853 1.00 99.99 C ATOM 0 H VAL A 27 6.005 4.500 10.975 1.00 99.99 H new ATOM 0 HA VAL A 27 4.271 3.115 9.274 1.00 99.99 H new ATOM 0 HB VAL A 27 3.774 4.441 11.969 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.783 2.965 12.131 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.637 4.104 10.771 1.00 99.99 H new ATOM 0 HG13 VAL A 27 2.066 2.404 10.467 1.00 99.99 H new ATOM 0 HG21 VAL A 27 4.021 2.097 12.819 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.350 1.538 11.162 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.493 2.633 11.975 1.00 99.99 H new ATOM 83 N VAL A 28 3.571 6.255 9.918 1.00 99.99 N ATOM 84 CA VAL A 28 2.792 7.422 9.523 1.00 99.99 C ATOM 85 C VAL A 28 3.172 7.823 8.105 1.00 99.99 C ATOM 86 O VAL A 28 2.300 8.111 7.324 1.00 99.99 O ATOM 87 CB VAL A 28 3.060 8.647 10.407 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.357 9.903 9.852 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.584 8.364 11.846 1.00 99.99 C ATOM 0 H VAL A 28 4.258 6.442 10.648 1.00 99.99 H new ATOM 0 HA VAL A 28 1.744 7.136 9.615 1.00 99.99 H new ATOM 0 HB VAL A 28 4.133 8.839 10.410 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.566 10.754 10.501 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.726 10.113 8.848 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.281 9.731 9.815 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.776 9.236 12.471 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.515 8.150 11.840 1.00 99.99 H new ATOM 0 HG23 VAL A 28 3.124 7.506 12.246 1.00 99.99 H new ATOM 99 N ALA A 29 4.403 7.836 7.834 1.00 99.99 N ATOM 100 CA ALA A 29 4.911 8.227 6.522 1.00 99.99 C ATOM 101 C ALA A 29 4.375 7.267 5.470 1.00 99.99 C ATOM 102 O ALA A 29 3.990 7.712 4.416 1.00 99.99 O ATOM 103 CB ALA A 29 6.440 8.159 6.429 1.00 99.99 C ATOM 0 H ALA A 29 5.130 7.578 8.501 1.00 99.99 H new ATOM 0 HA ALA A 29 4.587 9.255 6.362 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.758 8.461 5.431 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.880 8.829 7.168 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.771 7.139 6.622 1.00 99.99 H new ATOM 109 N ALA A 30 4.373 6.042 5.770 1.00 99.99 N ATOM 110 CA ALA A 30 3.910 5.013 4.848 1.00 99.99 C ATOM 111 C ALA A 30 2.439 5.238 4.536 1.00 99.99 C ATOM 112 O ALA A 30 2.035 5.003 3.423 1.00 99.99 O ATOM 113 CB ALA A 30 4.016 3.597 5.432 1.00 99.99 C ATOM 0 H ALA A 30 4.691 5.681 6.670 1.00 99.99 H new ATOM 0 HA ALA A 30 4.545 5.087 3.965 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.657 2.874 4.700 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.056 3.381 5.676 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.410 3.530 6.336 1.00 99.99 H new ATOM 119 N SER A 31 1.721 5.663 5.480 1.00 99.99 N ATOM 120 CA SER A 31 0.290 5.899 5.329 1.00 99.99 C ATOM 121 C SER A 31 0.067 6.969 4.271 1.00 99.99 C ATOM 122 O SER A 31 -0.760 6.783 3.413 1.00 99.99 O ATOM 123 CB SER A 31 -0.371 6.414 6.614 1.00 99.99 C ATOM 124 OG SER A 31 -0.331 5.422 7.638 1.00 99.99 O ATOM 0 H SER A 31 2.081 5.872 6.411 1.00 99.99 H new ATOM 0 HA SER A 31 -0.152 4.939 5.060 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.139 7.315 6.955 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.405 6.691 6.410 1.00 99.99 H new ATOM 0 HG SER A 31 0.600 5.252 7.893 1.00 99.99 H new ATOM 130 N ILE A 32 0.771 8.013 4.366 1.00 99.99 N ATOM 131 CA ILE A 32 0.643 9.128 3.436 1.00 99.99 C ATOM 132 C ILE A 32 1.047 8.674 2.042 1.00 99.99 C ATOM 133 O ILE A 32 0.438 9.089 1.091 1.00 99.99 O ATOM 134 CB ILE A 32 1.559 10.308 3.790 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.129 10.931 5.137 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.532 11.378 2.680 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.190 11.868 5.730 1.00 99.99 C ATOM 0 H ILE A 32 1.474 8.155 5.091 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.397 9.451 3.489 1.00 99.99 H new ATOM 0 HB ILE A 32 2.578 9.933 3.880 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.201 11.485 4.995 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.918 10.133 5.849 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.189 12.204 2.954 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.873 10.939 1.743 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.515 11.749 2.557 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.829 12.274 6.675 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.111 11.312 5.902 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.384 12.685 5.035 1.00 99.99 H new ATOM 149 N ILE A 33 2.021 7.875 1.971 1.00 99.99 N ATOM 150 CA ILE A 33 2.534 7.379 0.699 1.00 99.99 C ATOM 151 C ILE A 33 1.441 6.592 -0.012 1.00 99.99 C ATOM 152 O ILE A 33 1.237 6.800 -1.181 1.00 99.99 O ATOM 153 CB ILE A 33 3.718 6.416 0.865 1.00 99.99 C ATOM 154 CG1 ILE A 33 5.010 7.251 1.042 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.848 5.445 -0.322 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.209 6.468 1.589 1.00 99.99 C ATOM 0 H ILE A 33 2.519 7.519 2.787 1.00 99.99 H new ATOM 0 HA ILE A 33 2.859 8.256 0.139 1.00 99.99 H new ATOM 0 HB ILE A 33 3.548 5.799 1.747 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.283 7.681 0.078 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.799 8.083 1.714 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.699 4.784 -0.160 1.00 99.99 H new ATOM 0 HG22 ILE A 33 2.938 4.851 -0.408 1.00 99.99 H new ATOM 0 HG23 ILE A 33 3.999 6.012 -1.241 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.068 7.133 1.679 1.00 99.99 H new ATOM 0 HD12 ILE A 33 5.961 6.060 2.569 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.452 5.652 0.908 1.00 99.99 H new ATOM 168 N GLY A 34 0.805 5.755 0.685 1.00 99.99 N ATOM 169 CA GLY A 34 -0.252 4.917 0.127 1.00 99.99 C ATOM 170 C GLY A 34 -1.418 5.794 -0.298 1.00 99.99 C ATOM 171 O GLY A 34 -2.033 5.509 -1.295 1.00 99.99 O ATOM 0 H GLY A 34 0.977 5.601 1.678 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.126 4.356 -0.728 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.582 4.187 0.867 1.00 99.99 H new ATOM 175 N ILE A 35 -1.369 7.070 0.050 1.00 99.99 N ATOM 176 CA ILE A 35 -2.415 7.940 -0.479 1.00 99.99 C ATOM 177 C ILE A 35 -1.906 8.640 -1.729 1.00 99.99 C ATOM 178 O ILE A 35 -2.605 8.667 -2.709 1.00 99.99 O ATOM 179 CB ILE A 35 -2.823 9.047 0.501 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.349 8.431 1.822 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.902 9.945 -0.142 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.490 9.421 2.983 1.00 99.99 C ATOM 0 H ILE A 35 -0.671 7.507 0.652 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.274 7.299 -0.675 1.00 99.99 H new ATOM 0 HB ILE A 35 -1.949 9.656 0.731 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.321 7.975 1.632 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.675 7.630 2.126 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.188 10.729 0.559 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.505 10.397 -1.051 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.776 9.343 -0.389 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.864 8.898 3.863 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.518 9.860 3.207 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.189 10.210 2.705 1.00 99.99 H new ATOM 194 N LEU A 36 -0.758 9.159 -1.657 1.00 99.99 N ATOM 195 CA LEU A 36 -0.158 9.885 -2.771 1.00 99.99 C ATOM 196 C LEU A 36 -0.049 8.958 -3.973 1.00 99.99 C ATOM 197 O LEU A 36 -0.336 9.378 -5.064 1.00 99.99 O ATOM 198 CB LEU A 36 1.265 10.372 -2.469 1.00 99.99 C ATOM 199 CG LEU A 36 2.005 11.031 -3.652 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.292 12.311 -4.108 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.469 11.319 -3.292 1.00 99.99 C ATOM 0 H LEU A 36 -0.169 9.112 -0.826 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.800 10.746 -2.957 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.219 11.087 -1.648 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.855 9.524 -2.121 1.00 99.99 H new ATOM 0 HG LEU A 36 1.994 10.328 -4.485 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.836 12.753 -4.943 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.277 12.069 -4.424 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.255 13.021 -3.282 1.00 99.99 H new ATOM 0 HD21 LEU A 36 3.968 11.783 -4.142 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.507 11.993 -2.436 1.00 99.99 H new ATOM 0 HD23 LEU A 36 3.972 10.385 -3.041 1.00 99.99 H new ATOM 213 N HIS A 37 0.389 7.693 -3.774 1.00 99.99 N ATOM 214 CA HIS A 37 0.594 6.716 -4.817 1.00 99.99 C ATOM 215 C HIS A 37 -0.710 6.406 -5.502 1.00 99.99 C ATOM 216 O HIS A 37 -0.734 6.066 -6.684 1.00 99.99 O ATOM 217 CB HIS A 37 1.190 5.404 -4.254 1.00 99.99 C ATOM 218 CG HIS A 37 1.608 4.412 -5.308 1.00 99.99 C ATOM 219 ND1 HIS A 37 1.848 3.095 -5.024 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.873 4.589 -6.625 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.236 2.490 -6.139 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.258 3.376 -7.126 1.00 99.99 N ATOM 0 H HIS A 37 0.611 7.333 -2.846 1.00 99.99 H new ATOM 0 HA HIS A 37 1.299 7.143 -5.531 1.00 99.99 H new ATOM 0 HB2 HIS A 37 2.055 5.647 -3.637 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.454 4.935 -3.601 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.795 5.515 -7.176 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.493 1.445 -6.229 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.518 3.185 -8.094 1.00 99.99 H new ATOM 230 N LEU A 38 -1.835 6.561 -4.763 1.00 99.99 N ATOM 231 CA LEU A 38 -3.173 6.320 -5.288 1.00 99.99 C ATOM 232 C LEU A 38 -3.546 7.438 -6.249 1.00 99.99 C ATOM 233 O LEU A 38 -4.082 7.161 -7.292 1.00 99.99 O ATOM 234 CB LEU A 38 -4.253 6.310 -4.196 1.00 99.99 C ATOM 235 CG LEU A 38 -5.682 6.080 -4.744 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.797 4.744 -5.491 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.742 6.169 -3.645 1.00 99.99 C ATOM 0 H LEU A 38 -1.825 6.857 -3.787 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.140 5.342 -5.768 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -4.020 5.529 -3.472 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.226 7.259 -3.661 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.870 6.885 -5.455 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.815 4.620 -5.860 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.103 4.736 -6.331 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.555 3.926 -4.813 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.729 6.001 -4.077 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.544 5.412 -2.886 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.710 7.158 -3.188 1.00 99.99 H new ATOM 249 N ILE A 39 -3.269 8.612 -5.883 1.00 99.99 N ATOM 250 CA ILE A 39 -3.595 9.781 -6.693 1.00 99.99 C ATOM 251 C ILE A 39 -2.771 9.750 -7.971 1.00 99.99 C ATOM 252 O ILE A 39 -3.302 10.028 -9.018 1.00 99.99 O ATOM 253 CB ILE A 39 -3.259 11.106 -5.993 1.00 99.99 C ATOM 254 CG1 ILE A 39 -4.187 11.305 -4.775 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.402 12.283 -6.981 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.811 12.510 -3.901 1.00 99.99 C ATOM 0 H ILE A 39 -2.802 8.833 -5.004 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.668 9.736 -6.879 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.226 11.073 -5.645 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.211 11.428 -5.127 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -4.166 10.403 -4.163 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -3.161 13.216 -6.472 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.720 12.140 -7.819 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.427 12.325 -7.351 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.507 12.585 -3.066 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.799 12.380 -3.519 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.860 13.421 -4.497 1.00 99.99 H new ATOM 268 N LEU A 40 -1.556 9.438 -7.853 1.00 99.99 N ATOM 269 CA LEU A 40 -0.644 9.394 -8.990 1.00 99.99 C ATOM 270 C LEU A 40 -1.146 8.372 -9.999 1.00 99.99 C ATOM 271 O LEU A 40 -1.144 8.656 -11.171 1.00 99.99 O ATOM 272 CB LEU A 40 0.775 8.958 -8.604 1.00 99.99 C ATOM 273 CG LEU A 40 1.586 9.984 -7.782 1.00 99.99 C ATOM 274 CD1 LEU A 40 2.938 9.366 -7.371 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.820 11.292 -8.549 1.00 99.99 C ATOM 0 H LEU A 40 -1.121 9.195 -6.963 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.611 10.406 -9.393 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.709 8.032 -8.033 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.327 8.731 -9.516 1.00 99.99 H new ATOM 0 HG LEU A 40 1.002 10.230 -6.895 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.508 10.092 -6.791 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.763 8.476 -6.767 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.500 9.093 -8.264 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.394 11.980 -7.928 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.372 11.083 -9.465 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.860 11.744 -8.799 1.00 99.99 H new ATOM 287 N TRP A 41 -1.539 7.266 -9.536 1.00 99.99 N ATOM 288 CA TRP A 41 -2.019 6.187 -10.390 1.00 99.99 C ATOM 289 C TRP A 41 -3.337 6.602 -11.028 1.00 99.99 C ATOM 290 O TRP A 41 -3.531 6.350 -12.190 1.00 99.99 O ATOM 291 CB TRP A 41 -2.299 4.892 -9.616 1.00 99.99 C ATOM 292 CG TRP A 41 -2.699 3.721 -10.495 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.877 2.944 -11.253 1.00 99.99 C ATOM 294 CD2 TRP A 41 -4.043 3.290 -10.771 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.603 2.001 -11.923 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.938 2.218 -11.677 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.284 3.736 -10.304 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -5.070 1.554 -12.125 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.421 3.072 -10.769 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.323 1.994 -11.666 1.00 99.99 C ATOM 0 H TRP A 41 -1.551 7.044 -8.540 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.234 6.002 -11.123 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.409 4.620 -9.049 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.093 5.078 -8.893 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.805 3.057 -11.315 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.219 1.259 -12.508 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.360 4.561 -9.611 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.991 0.721 -12.808 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.396 3.393 -10.433 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.220 1.499 -12.006 1.00 99.99 H new ATOM 311 N ILE A 42 -4.166 7.187 -10.277 1.00 99.99 N ATOM 312 CA ILE A 42 -5.480 7.615 -10.749 1.00 99.99 C ATOM 313 C ILE A 42 -5.305 8.711 -11.790 1.00 99.99 C ATOM 314 O ILE A 42 -5.980 8.680 -12.789 1.00 99.99 O ATOM 315 CB ILE A 42 -6.348 8.211 -9.636 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.808 7.098 -8.666 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.573 8.944 -10.226 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.607 7.620 -7.462 1.00 99.99 C ATOM 0 H ILE A 42 -3.985 7.403 -9.297 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.968 6.726 -11.147 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.749 8.936 -9.086 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.420 6.381 -9.214 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.932 6.559 -8.304 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.174 9.358 -9.416 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.236 9.750 -10.877 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.175 8.241 -10.801 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.896 6.783 -6.826 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -6.991 8.314 -6.890 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.502 8.133 -7.814 1.00 99.99 H new ATOM 330 N LEU A 43 -4.454 9.606 -11.533 1.00 99.99 N ATOM 331 CA LEU A 43 -4.207 10.727 -12.430 1.00 99.99 C ATOM 332 C LEU A 43 -3.624 10.208 -13.737 1.00 99.99 C ATOM 333 O LEU A 43 -3.928 10.749 -14.770 1.00 99.99 O ATOM 334 CB LEU A 43 -3.186 11.726 -11.869 1.00 99.99 C ATOM 335 CG LEU A 43 -3.691 12.539 -10.654 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.523 13.304 -10.003 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.811 13.518 -11.041 1.00 99.99 C ATOM 0 H LEU A 43 -3.881 9.614 -10.689 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.166 11.228 -12.564 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.286 11.184 -11.579 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.900 12.418 -12.661 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.106 11.830 -9.937 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.891 13.872 -9.149 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.766 12.595 -9.668 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -2.084 13.986 -10.731 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.135 14.068 -10.157 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.439 14.219 -11.788 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.654 12.962 -11.452 1.00 99.99 H new ATOM 349 N ASP A 44 -2.834 9.228 -13.653 1.00 99.99 N ATOM 350 CA ASP A 44 -2.184 8.647 -14.819 1.00 99.99 C ATOM 351 C ASP A 44 -3.232 7.980 -15.701 1.00 99.99 C ATOM 352 O ASP A 44 -3.155 8.104 -16.898 1.00 99.99 O ATOM 353 CB ASP A 44 -1.166 7.556 -14.458 1.00 99.99 C ATOM 354 CG ASP A 44 -0.421 7.012 -15.693 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.356 7.782 -16.305 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.575 5.798 -16.022 1.00 99.99 O ATOM 0 H ASP A 44 -2.593 8.773 -12.773 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.668 9.467 -15.319 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.442 7.959 -13.749 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.680 6.736 -13.957 1.00 99.99 H new ATOM 361 N ARG A 45 -4.129 7.321 -15.110 1.00 99.99 N ATOM 362 CA ARG A 45 -5.182 6.613 -15.830 1.00 99.99 C ATOM 363 C ARG A 45 -6.039 7.615 -16.588 1.00 99.99 C ATOM 364 O ARG A 45 -6.359 7.371 -17.723 1.00 99.99 O ATOM 365 CB ARG A 45 -6.133 5.849 -14.899 1.00 99.99 C ATOM 366 CG ARG A 45 -5.456 4.695 -14.131 1.00 99.99 C ATOM 367 CD ARG A 45 -5.191 3.462 -15.006 1.00 99.99 C ATOM 368 NE ARG A 45 -3.793 3.557 -15.560 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.434 2.884 -16.670 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.297 2.079 -17.315 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.171 3.005 -17.108 1.00 99.99 N ATOM 0 H ARG A 45 -4.188 7.233 -14.096 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.677 5.906 -16.488 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.564 6.548 -14.182 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.958 5.447 -15.487 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.512 5.048 -13.716 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.087 4.407 -13.290 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.304 2.550 -14.419 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.917 3.411 -15.818 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.105 4.142 -15.085 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.249 1.967 -16.965 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -4.000 1.580 -18.154 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.510 3.595 -16.603 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.872 2.506 -17.946 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 -6.460 10.349 -17.709 1.00 99.99 C ATOM 388 O LEU A 46 -5.456 11.030 -17.505 1.00 99.99 O ATOM 389 CB LEU A 46 -7.563 10.817 -15.576 1.00 99.99 C ATOM 390 CG LEU A 46 -8.330 10.422 -14.290 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.362 11.642 -13.350 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.754 9.925 -14.560 1.00 99.99 C ATOM 0 H LEU A 46 -6.080 8.860 -15.006 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.124 9.195 -16.880 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.637 11.309 -15.278 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.159 11.557 -16.110 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.803 9.585 -13.831 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.899 11.384 -12.437 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.342 11.936 -13.101 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.868 12.470 -13.846 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.234 9.665 -13.616 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.326 10.710 -15.054 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.717 9.045 -15.202 1.00 99.99 H new ATOM 405 N SER B 22 -10.398 0.531 18.950 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 -7.860 1.405 18.453 1.00 99.99 O ATOM 409 CB SER B 22 -11.006 2.529 17.537 1.00 99.99 C ATOM 410 OG SER B 22 -10.759 3.500 18.550 1.00 99.99 O ATOM 0 HA SER B 22 -10.372 0.573 16.863 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.832 2.980 16.560 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.056 2.237 17.571 1.00 99.99 H new ATOM 0 HG SER B 22 -11.343 4.275 18.410 1.00 99.99 H new ATOM 415 N SER B 23 -8.282 2.118 16.340 1.00 99.99 N ATOM 416 CA SER B 23 -6.953 2.603 16.054 1.00 99.99 C ATOM 417 C SER B 23 -7.128 4.030 15.601 1.00 99.99 C ATOM 418 O SER B 23 -8.184 4.626 15.811 1.00 99.99 O ATOM 419 CB SER B 23 -6.229 1.760 14.975 1.00 99.99 C ATOM 420 OG SER B 23 -6.047 0.427 15.433 1.00 99.99 O ATOM 0 H SER B 23 -8.923 2.208 15.551 1.00 99.99 H new ATOM 0 HA SER B 23 -6.322 2.529 16.940 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.811 1.759 14.053 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.263 2.207 14.742 1.00 99.99 H new ATOM 0 HG SER B 23 -5.590 -0.097 14.742 1.00 99.99 H new ATOM 426 N ASP B 24 -6.074 4.628 14.990 1.00 99.99 N ATOM 427 CA ASP B 24 -6.038 6.034 14.630 1.00 99.99 C ATOM 428 C ASP B 24 -6.632 6.193 13.247 1.00 99.99 C ATOM 429 O ASP B 24 -6.555 5.245 12.472 1.00 99.99 O ATOM 430 CB ASP B 24 -4.588 6.595 14.607 1.00 99.99 C ATOM 431 CG ASP B 24 -3.934 6.522 15.990 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.667 6.435 17.013 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.675 6.563 16.038 1.00 99.99 O ATOM 0 H ASP B 24 -5.223 4.125 14.738 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.605 6.587 15.379 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.990 6.031 13.891 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.603 7.630 14.265 1.00 99.99 H new ATOM 438 N PRO B 25 -7.248 7.315 12.868 1.00 99.99 N ATOM 439 CA PRO B 25 -8.123 7.378 11.707 1.00 99.99 C ATOM 440 C PRO B 25 -7.367 7.370 10.398 1.00 99.99 C ATOM 441 O PRO B 25 -7.965 6.970 9.411 1.00 99.99 O ATOM 442 CB PRO B 25 -8.905 8.691 11.880 1.00 99.99 C ATOM 443 CG PRO B 25 -8.014 9.547 12.782 1.00 99.99 C ATOM 444 CD PRO B 25 -7.379 8.508 13.702 1.00 99.99 C ATOM 0 HA PRO B 25 -8.769 6.501 11.659 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -9.083 9.177 10.921 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.880 8.516 12.335 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.265 10.095 12.210 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.591 10.284 13.340 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.410 8.843 14.071 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -8.003 8.316 14.575 1.00 99.99 H new ATOM 452 N LEU B 26 -6.088 7.811 10.370 1.00 99.99 N ATOM 453 CA LEU B 26 -5.158 7.773 9.249 1.00 99.99 C ATOM 454 C LEU B 26 -4.726 6.336 9.001 1.00 99.99 C ATOM 455 O LEU B 26 -4.671 5.929 7.868 1.00 99.99 O ATOM 456 CB LEU B 26 -3.874 8.572 9.509 1.00 99.99 C ATOM 457 CG LEU B 26 -2.742 8.407 8.470 1.00 99.99 C ATOM 458 CD1 LEU B 26 -3.131 8.928 7.084 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.461 9.093 8.965 1.00 99.99 C ATOM 0 H LEU B 26 -5.661 8.230 11.196 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.686 8.208 8.400 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -4.134 9.629 9.566 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.485 8.286 10.486 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.560 7.338 8.363 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -2.298 8.787 6.395 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -4.000 8.380 6.720 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -3.372 9.989 7.149 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.672 8.969 8.223 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.652 10.155 9.117 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -1.148 8.643 9.907 1.00 99.99 H new ATOM 471 N VAL B 27 -4.439 5.650 10.021 1.00 99.99 N ATOM 472 CA VAL B 27 -3.987 4.266 9.929 1.00 99.99 C ATOM 473 C VAL B 27 -5.119 3.401 9.396 1.00 99.99 C ATOM 474 O VAL B 27 -4.884 2.603 8.523 1.00 99.99 O ATOM 475 CB VAL B 27 -3.594 3.675 11.290 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.241 2.181 11.155 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.376 4.441 11.853 1.00 99.99 C ATOM 0 H VAL B 27 -4.500 6.005 10.975 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.115 4.271 9.274 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.441 3.774 11.969 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.965 1.783 12.131 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -4.104 1.637 10.771 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.404 2.066 10.467 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -2.097 4.021 12.819 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.538 4.350 11.162 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.633 5.493 11.975 1.00 99.99 H new ATOM 487 N VAL B 28 -6.255 3.571 9.918 1.00 99.99 N ATOM 488 CA VAL B 28 -7.422 2.792 9.523 1.00 99.99 C ATOM 489 C VAL B 28 -7.823 3.172 8.105 1.00 99.99 C ATOM 490 O VAL B 28 -8.111 2.300 7.324 1.00 99.99 O ATOM 491 CB VAL B 28 -8.647 3.060 10.407 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.903 2.357 9.852 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.364 2.584 11.846 1.00 99.99 C ATOM 0 H VAL B 28 -6.442 4.258 10.648 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.136 1.744 9.615 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.839 4.133 10.410 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.754 2.566 10.501 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.113 2.726 8.848 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.731 1.281 9.815 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.236 2.776 12.471 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -8.150 1.515 11.840 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.506 3.124 12.246 1.00 99.99 H new ATOM 503 N ALA B 29 -7.836 4.403 7.834 1.00 99.99 N ATOM 504 CA ALA B 29 -8.227 4.911 6.522 1.00 99.99 C ATOM 505 C ALA B 29 -7.267 4.375 5.470 1.00 99.99 C ATOM 506 O ALA B 29 -7.712 3.990 4.416 1.00 99.99 O ATOM 507 CB ALA B 29 -8.159 6.440 6.429 1.00 99.99 C ATOM 0 H ALA B 29 -7.578 5.130 8.501 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.255 4.587 6.362 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.461 6.758 5.431 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.829 6.880 7.168 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -7.139 6.771 6.622 1.00 99.99 H new ATOM 513 N ALA B 30 -6.042 4.373 5.770 1.00 99.99 N ATOM 514 CA ALA B 30 -5.013 3.910 4.848 1.00 99.99 C ATOM 515 C ALA B 30 -5.238 2.439 4.536 1.00 99.99 C ATOM 516 O ALA B 30 -5.003 2.035 3.423 1.00 99.99 O ATOM 517 CB ALA B 30 -3.597 4.016 5.432 1.00 99.99 C ATOM 0 H ALA B 30 -5.681 4.691 6.670 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.087 4.545 3.965 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.874 3.657 4.700 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.381 5.056 5.676 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.530 3.410 6.336 1.00 99.99 H new ATOM 523 N SER B 31 -5.663 1.721 5.480 1.00 99.99 N ATOM 524 CA SER B 31 -5.899 0.290 5.329 1.00 99.99 C ATOM 525 C SER B 31 -6.969 0.067 4.271 1.00 99.99 C ATOM 526 O SER B 31 -6.783 -0.760 3.413 1.00 99.99 O ATOM 527 CB SER B 31 -6.414 -0.371 6.614 1.00 99.99 C ATOM 528 OG SER B 31 -5.422 -0.331 7.638 1.00 99.99 O ATOM 0 H SER B 31 -5.872 2.081 6.411 1.00 99.99 H new ATOM 0 HA SER B 31 -4.939 -0.152 5.060 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.315 0.139 6.955 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.691 -1.405 6.410 1.00 99.99 H new ATOM 0 HG SER B 31 -5.263 0.599 7.904 1.00 99.99 H new ATOM 534 N ILE B 32 -8.013 0.771 4.366 1.00 99.99 N ATOM 535 CA ILE B 32 -9.128 0.643 3.436 1.00 99.99 C ATOM 536 C ILE B 32 -8.674 1.047 2.042 1.00 99.99 C ATOM 537 O ILE B 32 -9.089 0.438 1.091 1.00 99.99 O ATOM 538 CB ILE B 32 -10.308 1.559 3.790 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.931 1.129 5.137 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.378 1.532 2.680 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.868 2.190 5.730 1.00 99.99 C ATOM 0 H ILE B 32 -8.155 1.474 5.091 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.451 -0.397 3.489 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.933 2.578 3.880 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.485 0.201 4.995 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.133 0.918 5.849 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.204 2.189 2.954 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -10.939 1.873 1.743 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.749 0.515 2.557 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.274 1.829 6.675 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.312 3.111 5.902 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.685 2.384 5.035 1.00 99.99 H new ATOM 553 N ILE B 33 -7.875 2.021 1.971 1.00 99.99 N ATOM 554 CA ILE B 33 -7.379 2.534 0.699 1.00 99.99 C ATOM 555 C ILE B 33 -6.592 1.441 -0.012 1.00 99.99 C ATOM 556 O ILE B 33 -6.800 1.237 -1.181 1.00 99.99 O ATOM 557 CB ILE B 33 -6.416 3.718 0.865 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.251 5.010 1.042 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.445 3.848 -0.322 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.468 6.209 1.589 1.00 99.99 C ATOM 0 H ILE B 33 -7.519 2.519 2.787 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.256 2.859 0.139 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.799 3.548 1.747 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.681 5.283 0.078 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.083 4.799 1.714 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.784 4.699 -0.160 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.851 2.938 -0.408 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -6.012 3.999 -1.241 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.133 7.068 1.679 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -6.060 5.961 2.569 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.652 6.452 0.908 1.00 99.99 H new ATOM 572 N GLY B 34 -5.755 0.805 0.685 1.00 99.99 N ATOM 573 CA GLY B 34 -4.917 -0.252 0.127 1.00 99.99 C ATOM 574 C GLY B 34 -5.794 -1.418 -0.298 1.00 99.99 C ATOM 575 O GLY B 34 -5.509 -2.033 -1.295 1.00 99.99 O ATOM 0 H GLY B 34 -5.601 0.977 1.678 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.356 0.126 -0.728 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.187 -0.582 0.867 1.00 99.99 H new ATOM 579 N ILE B 35 -7.070 -1.369 0.050 1.00 99.99 N ATOM 580 CA ILE B 35 -7.940 -2.415 -0.479 1.00 99.99 C ATOM 581 C ILE B 35 -8.640 -1.906 -1.729 1.00 99.99 C ATOM 582 O ILE B 35 -8.667 -2.605 -2.709 1.00 99.99 O ATOM 583 CB ILE B 35 -9.047 -2.823 0.501 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.431 -3.349 1.822 1.00 99.99 C ATOM 585 CG2 ILE B 35 -9.945 -3.902 -0.142 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.421 -3.490 2.983 1.00 99.99 C ATOM 0 H ILE B 35 -7.507 -0.671 0.652 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.299 -3.274 -0.675 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.656 -1.949 0.731 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -7.975 -4.321 1.632 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.630 -2.675 2.126 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.729 -4.188 0.559 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.397 -3.505 -1.051 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.343 -4.776 -0.389 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.898 -3.864 3.863 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.860 -2.518 3.207 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.210 -4.189 2.705 1.00 99.99 H new ATOM 598 N LEU B 36 -9.159 -0.758 -1.657 1.00 99.99 N ATOM 599 CA LEU B 36 -9.885 -0.158 -2.771 1.00 99.99 C ATOM 600 C LEU B 36 -8.958 -0.049 -3.973 1.00 99.99 C ATOM 601 O LEU B 36 -9.378 -0.336 -5.064 1.00 99.99 O ATOM 602 CB LEU B 36 -10.372 1.265 -2.469 1.00 99.99 C ATOM 603 CG LEU B 36 -11.031 2.005 -3.652 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.311 1.292 -4.108 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.319 3.469 -3.292 1.00 99.99 C ATOM 0 H LEU B 36 -9.112 -0.169 -0.826 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.746 -0.800 -2.957 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.087 1.219 -1.648 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.524 1.855 -2.121 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.328 1.994 -4.485 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.753 1.836 -4.943 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.069 0.277 -4.424 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.021 1.255 -3.282 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.783 3.968 -4.142 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -11.993 3.507 -2.436 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.385 3.972 -3.041 1.00 99.99 H new ATOM 617 N HIS B 37 -7.693 0.389 -3.774 1.00 99.99 N ATOM 618 CA HIS B 37 -6.716 0.594 -4.817 1.00 99.99 C ATOM 619 C HIS B 37 -6.406 -0.710 -5.502 1.00 99.99 C ATOM 620 O HIS B 37 -6.066 -0.734 -6.684 1.00 99.99 O ATOM 621 CB HIS B 37 -5.404 1.190 -4.254 1.00 99.99 C ATOM 622 CG HIS B 37 -4.412 1.608 -5.308 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.095 1.848 -5.024 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.589 1.873 -6.625 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.490 2.236 -6.139 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.376 2.258 -7.126 1.00 99.99 N ATOM 0 H HIS B 37 -7.333 0.611 -2.846 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.143 1.299 -5.531 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.647 2.055 -3.637 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -4.935 0.454 -3.601 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.515 1.795 -7.176 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.445 2.493 -6.229 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.185 2.518 -8.094 1.00 99.99 H new ATOM 634 N LEU B 38 -6.561 -1.835 -4.763 1.00 99.99 N ATOM 635 CA LEU B 38 -6.320 -3.173 -5.288 1.00 99.99 C ATOM 636 C LEU B 38 -7.438 -3.546 -6.249 1.00 99.99 C ATOM 637 O LEU B 38 -7.161 -4.082 -7.292 1.00 99.99 O ATOM 638 CB LEU B 38 -6.310 -4.253 -4.196 1.00 99.99 C ATOM 639 CG LEU B 38 -6.080 -5.682 -4.744 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.744 -5.797 -5.491 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.169 -6.742 -3.645 1.00 99.99 C ATOM 0 H LEU B 38 -6.857 -1.825 -3.787 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.342 -3.140 -5.768 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.529 -4.020 -3.472 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.259 -4.226 -3.661 1.00 99.99 H new ATOM 0 HG LEU B 38 -6.885 -5.870 -5.455 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.620 -6.815 -5.860 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.736 -5.103 -6.331 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -3.926 -5.555 -4.813 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.001 -7.729 -4.077 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.412 -6.544 -2.886 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.158 -6.710 -3.188 1.00 99.99 H new ATOM 653 N ILE B 39 -8.612 -3.269 -5.883 1.00 99.99 N ATOM 654 CA ILE B 39 -9.781 -3.595 -6.693 1.00 99.99 C ATOM 655 C ILE B 39 -9.750 -2.771 -7.971 1.00 99.99 C ATOM 656 O ILE B 39 -10.028 -3.302 -9.018 1.00 99.99 O ATOM 657 CB ILE B 39 -11.106 -3.259 -5.993 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.305 -4.187 -4.775 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.283 -3.402 -6.981 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.510 -3.811 -3.901 1.00 99.99 C ATOM 0 H ILE B 39 -8.833 -2.802 -5.004 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.736 -4.668 -6.879 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.073 -2.226 -5.645 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.428 -5.211 -5.127 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.403 -4.166 -4.163 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.216 -3.161 -6.472 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.140 -2.720 -7.819 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.325 -4.427 -7.351 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.585 -4.507 -3.066 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.380 -2.799 -3.519 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.421 -3.860 -4.497 1.00 99.99 H new ATOM 672 N LEU B 40 -9.438 -1.556 -7.853 1.00 99.99 N ATOM 673 CA LEU B 40 -9.394 -0.644 -8.990 1.00 99.99 C ATOM 674 C LEU B 40 -8.372 -1.146 -9.999 1.00 99.99 C ATOM 675 O LEU B 40 -8.656 -1.144 -11.171 1.00 99.99 O ATOM 676 CB LEU B 40 -8.958 0.775 -8.604 1.00 99.99 C ATOM 677 CG LEU B 40 -9.984 1.586 -7.782 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.366 2.938 -7.371 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.292 1.820 -8.549 1.00 99.99 C ATOM 0 H LEU B 40 -9.195 -1.121 -6.963 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.406 -0.611 -9.393 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.032 0.709 -8.033 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.731 1.327 -9.516 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.230 1.002 -6.895 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.092 3.508 -6.791 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.476 2.763 -6.767 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.093 3.500 -8.264 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -11.980 2.394 -7.928 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.083 2.372 -9.465 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.744 0.860 -8.799 1.00 99.99 H new ATOM 691 N TRP B 41 -7.266 -1.539 -9.536 1.00 99.99 N ATOM 692 CA TRP B 41 -6.187 -2.019 -10.390 1.00 99.99 C ATOM 693 C TRP B 41 -6.602 -3.337 -11.028 1.00 99.99 C ATOM 694 O TRP B 41 -6.350 -3.531 -12.190 1.00 99.99 O ATOM 695 CB TRP B 41 -4.892 -2.299 -9.616 1.00 99.99 C ATOM 696 CG TRP B 41 -3.721 -2.699 -10.495 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.944 -1.877 -11.253 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.290 -4.043 -10.771 1.00 99.99 C ATOM 699 NE1 TRP B 41 -2.001 -2.603 -11.923 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.218 -3.938 -11.677 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.736 -5.284 -10.304 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.554 -5.070 -12.125 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.072 -6.421 -10.769 1.00 99.99 C ATOM 704 CH2 TRP B 41 -1.994 -6.323 -11.666 1.00 99.99 C ATOM 0 H TRP B 41 -7.044 -1.551 -8.540 1.00 99.99 H new ATOM 0 HA TRP B 41 -6.002 -1.234 -11.123 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.620 -1.409 -9.049 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.078 -3.093 -8.893 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.057 -0.805 -11.315 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.259 -2.219 -12.508 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.561 -5.360 -9.611 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.721 -4.991 -12.808 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.393 -7.396 -10.433 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.499 -7.220 -12.006 1.00 99.99 H new ATOM 715 N ILE B 42 -7.187 -4.166 -10.277 1.00 99.99 N ATOM 716 CA ILE B 42 -7.615 -5.480 -10.749 1.00 99.99 C ATOM 717 C ILE B 42 -8.711 -5.305 -11.790 1.00 99.99 C ATOM 718 O ILE B 42 -8.680 -5.980 -12.789 1.00 99.99 O ATOM 719 CB ILE B 42 -8.211 -6.348 -9.636 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.098 -6.808 -8.666 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.944 -7.573 -10.226 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.620 -7.607 -7.462 1.00 99.99 C ATOM 0 H ILE B 42 -7.403 -3.985 -9.297 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.726 -5.968 -11.147 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.936 -5.749 -9.086 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.381 -7.420 -9.214 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.559 -5.932 -8.304 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.358 -8.174 -9.416 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.750 -7.236 -10.877 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.241 -8.175 -10.801 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.783 -7.896 -6.826 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.314 -6.991 -6.890 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.133 -8.502 -7.814 1.00 99.99 H new ATOM 734 N LEU B 43 -9.606 -4.454 -11.533 1.00 99.99 N ATOM 735 CA LEU B 43 -10.727 -4.207 -12.430 1.00 99.99 C ATOM 736 C LEU B 43 -10.208 -3.624 -13.737 1.00 99.99 C ATOM 737 O LEU B 43 -10.749 -3.928 -14.770 1.00 99.99 O ATOM 738 CB LEU B 43 -11.726 -3.186 -11.869 1.00 99.99 C ATOM 739 CG LEU B 43 -12.539 -3.691 -10.654 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.304 -2.523 -10.003 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.518 -4.811 -11.041 1.00 99.99 C ATOM 0 H LEU B 43 -9.614 -3.881 -10.689 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.228 -5.166 -12.564 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.184 -2.286 -11.579 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.418 -2.900 -12.661 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.830 -4.106 -9.937 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.872 -2.891 -9.149 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.595 -1.766 -9.668 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -13.986 -2.084 -10.731 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.068 -5.135 -10.157 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.219 -4.439 -11.788 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.962 -5.654 -11.452 1.00 99.99 H new ATOM 753 N ASP B 44 -9.228 -2.834 -13.653 1.00 99.99 N ATOM 754 CA ASP B 44 -8.647 -2.184 -14.819 1.00 99.99 C ATOM 755 C ASP B 44 -7.980 -3.232 -15.701 1.00 99.99 C ATOM 756 O ASP B 44 -8.104 -3.155 -16.898 1.00 99.99 O ATOM 757 CB ASP B 44 -7.556 -1.166 -14.458 1.00 99.99 C ATOM 758 CG ASP B 44 -7.012 -0.421 -15.693 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.782 0.356 -16.305 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.798 -0.575 -16.022 1.00 99.99 O ATOM 0 H ASP B 44 -8.773 -2.593 -12.773 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.467 -1.668 -15.319 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.959 -0.442 -13.749 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.736 -1.680 -13.957 1.00 99.99 H new ATOM 765 N ARG B 45 -7.321 -4.129 -15.110 1.00 99.99 N ATOM 766 CA ARG B 45 -6.613 -5.182 -15.830 1.00 99.99 C ATOM 767 C ARG B 45 -7.615 -6.039 -16.588 1.00 99.99 C ATOM 768 O ARG B 45 -7.371 -6.359 -17.723 1.00 99.99 O ATOM 769 CB ARG B 45 -5.849 -6.133 -14.899 1.00 99.99 C ATOM 770 CG ARG B 45 -4.695 -5.456 -14.131 1.00 99.99 C ATOM 771 CD ARG B 45 -3.462 -5.191 -15.006 1.00 99.99 C ATOM 772 NE ARG B 45 -3.557 -3.793 -15.560 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.884 -3.434 -16.670 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.079 -4.297 -17.315 1.00 99.99 N ATOM 775 NH2 ARG B 45 -3.005 -2.171 -17.108 1.00 99.99 N ATOM 0 H ARG B 45 -7.233 -4.188 -14.096 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.906 -4.677 -16.488 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.548 -6.564 -14.182 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.447 -6.958 -15.487 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.048 -4.512 -13.716 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.407 -6.087 -13.290 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.550 -5.304 -14.419 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.411 -5.917 -15.818 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.142 -3.105 -15.085 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.967 -5.249 -16.965 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.580 -4.000 -18.154 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.595 -1.510 -16.603 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.506 -1.872 -17.946 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 -10.349 -6.460 -17.709 1.00 99.99 C ATOM 792 O LEU B 46 -11.030 -5.456 -17.505 1.00 99.99 O ATOM 793 CB LEU B 46 -10.817 -7.563 -15.576 1.00 99.99 C ATOM 794 CG LEU B 46 -10.422 -8.330 -14.290 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.642 -8.362 -13.350 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.925 -9.754 -14.560 1.00 99.99 C ATOM 0 H LEU B 46 -8.860 -6.080 -15.006 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.195 -8.124 -16.880 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.309 -6.637 -15.278 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.557 -8.159 -16.110 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.585 -7.803 -13.831 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.384 -8.899 -12.437 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.936 -7.342 -13.101 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.470 -8.868 -13.846 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.665 -10.234 -13.616 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.710 -10.326 -15.054 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -9.045 -9.717 -15.202 1.00 99.99 H new ATOM 809 N SER C 22 -0.531 -10.398 18.950 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 -1.405 -7.860 18.453 1.00 99.99 O ATOM 813 CB SER C 22 -2.529 -11.006 17.537 1.00 99.99 C ATOM 814 OG SER C 22 -3.500 -10.759 18.550 1.00 99.99 O ATOM 0 HA SER C 22 -0.573 -10.372 16.863 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.980 -10.832 16.560 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.237 -12.056 17.571 1.00 99.99 H new ATOM 0 HG SER C 22 -4.275 -11.343 18.410 1.00 99.99 H new ATOM 819 N SER C 23 -2.118 -8.282 16.340 1.00 99.99 N ATOM 820 CA SER C 23 -2.603 -6.953 16.054 1.00 99.99 C ATOM 821 C SER C 23 -4.030 -7.128 15.601 1.00 99.99 C ATOM 822 O SER C 23 -4.626 -8.184 15.811 1.00 99.99 O ATOM 823 CB SER C 23 -1.760 -6.229 14.975 1.00 99.99 C ATOM 824 OG SER C 23 -0.427 -6.047 15.433 1.00 99.99 O ATOM 0 H SER C 23 -2.208 -8.923 15.551 1.00 99.99 H new ATOM 0 HA SER C 23 -2.529 -6.322 16.940 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.759 -6.811 14.053 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.207 -5.263 14.742 1.00 99.99 H new ATOM 0 HG SER C 23 0.097 -5.590 14.742 1.00 99.99 H new ATOM 830 N ASP C 24 -4.628 -6.074 14.990 1.00 99.99 N ATOM 831 CA ASP C 24 -6.034 -6.038 14.630 1.00 99.99 C ATOM 832 C ASP C 24 -6.193 -6.632 13.247 1.00 99.99 C ATOM 833 O ASP C 24 -5.245 -6.555 12.472 1.00 99.99 O ATOM 834 CB ASP C 24 -6.595 -4.588 14.607 1.00 99.99 C ATOM 835 CG ASP C 24 -6.522 -3.934 15.990 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.435 -4.667 17.013 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.563 -2.675 16.038 1.00 99.99 O ATOM 0 H ASP C 24 -4.125 -5.223 14.738 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.587 -6.605 15.379 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -6.031 -3.990 13.891 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.630 -4.603 14.265 1.00 99.99 H new ATOM 842 N PRO C 25 -7.315 -7.248 12.868 1.00 99.99 N ATOM 843 CA PRO C 25 -7.378 -8.123 11.707 1.00 99.99 C ATOM 844 C PRO C 25 -7.370 -7.367 10.398 1.00 99.99 C ATOM 845 O PRO C 25 -6.970 -7.965 9.411 1.00 99.99 O ATOM 846 CB PRO C 25 -8.691 -8.905 11.880 1.00 99.99 C ATOM 847 CG PRO C 25 -9.547 -8.014 12.782 1.00 99.99 C ATOM 848 CD PRO C 25 -8.508 -7.379 13.702 1.00 99.99 C ATOM 0 HA PRO C 25 -6.501 -8.769 11.659 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.177 -9.083 10.921 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.516 -9.880 12.335 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.095 -7.265 12.210 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.284 -8.591 13.340 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.843 -6.410 14.071 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.316 -8.003 14.575 1.00 99.99 H new ATOM 856 N LEU C 26 -7.811 -6.088 10.370 1.00 99.99 N ATOM 857 CA LEU C 26 -7.773 -5.158 9.249 1.00 99.99 C ATOM 858 C LEU C 26 -6.336 -4.726 9.001 1.00 99.99 C ATOM 859 O LEU C 26 -5.929 -4.671 7.868 1.00 99.99 O ATOM 860 CB LEU C 26 -8.572 -3.874 9.509 1.00 99.99 C ATOM 861 CG LEU C 26 -8.407 -2.742 8.470 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.928 -3.131 7.084 1.00 99.99 C ATOM 863 CD2 LEU C 26 -9.093 -1.461 8.965 1.00 99.99 C ATOM 0 H LEU C 26 -8.230 -5.661 11.196 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.208 -5.686 8.400 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.629 -4.134 9.566 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.286 -3.485 10.486 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.338 -2.560 8.363 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.787 -2.298 6.395 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.380 -4.000 6.720 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -9.989 -3.372 7.149 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -8.969 -0.672 8.223 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.155 -1.652 9.117 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.643 -1.148 9.907 1.00 99.99 H new ATOM 875 N VAL C 27 -5.650 -4.439 10.021 1.00 99.99 N ATOM 876 CA VAL C 27 -4.266 -3.987 9.929 1.00 99.99 C ATOM 877 C VAL C 27 -3.401 -5.119 9.396 1.00 99.99 C ATOM 878 O VAL C 27 -2.603 -4.884 8.523 1.00 99.99 O ATOM 879 CB VAL C 27 -3.675 -3.594 11.290 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.181 -3.241 11.155 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.441 -2.376 11.853 1.00 99.99 C ATOM 0 H VAL C 27 -6.005 -4.500 10.975 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.271 -3.115 9.274 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.774 -4.441 11.969 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.783 -2.965 12.131 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.637 -4.104 10.771 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -2.066 -2.404 10.467 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -4.021 -2.097 12.819 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.350 -1.538 11.162 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.493 -2.633 11.975 1.00 99.99 H new ATOM 891 N VAL C 28 -3.571 -6.255 9.918 1.00 99.99 N ATOM 892 CA VAL C 28 -2.792 -7.422 9.523 1.00 99.99 C ATOM 893 C VAL C 28 -3.172 -7.823 8.105 1.00 99.99 C ATOM 894 O VAL C 28 -2.300 -8.111 7.324 1.00 99.99 O ATOM 895 CB VAL C 28 -3.060 -8.647 10.407 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.357 -9.903 9.852 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.584 -8.364 11.846 1.00 99.99 C ATOM 0 H VAL C 28 -4.258 -6.442 10.648 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.744 -7.136 9.615 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.133 -8.839 10.410 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.566 -10.754 10.501 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.726 -10.113 8.848 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.281 -9.731 9.815 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.776 -9.236 12.471 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.515 -8.150 11.840 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -3.124 -7.506 12.246 1.00 99.99 H new ATOM 907 N ALA C 29 -4.403 -7.836 7.834 1.00 99.99 N ATOM 908 CA ALA C 29 -4.911 -8.227 6.522 1.00 99.99 C ATOM 909 C ALA C 29 -4.375 -7.267 5.470 1.00 99.99 C ATOM 910 O ALA C 29 -3.990 -7.712 4.416 1.00 99.99 O ATOM 911 CB ALA C 29 -6.440 -8.159 6.429 1.00 99.99 C ATOM 0 H ALA C 29 -5.130 -7.578 8.501 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.587 -9.255 6.362 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.758 -8.461 5.431 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.880 -8.829 7.168 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.771 -7.139 6.622 1.00 99.99 H new ATOM 917 N ALA C 30 -4.373 -6.042 5.770 1.00 99.99 N ATOM 918 CA ALA C 30 -3.910 -5.013 4.848 1.00 99.99 C ATOM 919 C ALA C 30 -2.439 -5.238 4.536 1.00 99.99 C ATOM 920 O ALA C 30 -2.035 -5.003 3.423 1.00 99.99 O ATOM 921 CB ALA C 30 -4.016 -3.597 5.432 1.00 99.99 C ATOM 0 H ALA C 30 -4.691 -5.681 6.670 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.545 -5.087 3.965 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.657 -2.874 4.700 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.056 -3.381 5.676 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.410 -3.530 6.336 1.00 99.99 H new ATOM 927 N SER C 31 -1.721 -5.663 5.480 1.00 99.99 N ATOM 928 CA SER C 31 -0.290 -5.899 5.329 1.00 99.99 C ATOM 929 C SER C 31 -0.067 -6.969 4.271 1.00 99.99 C ATOM 930 O SER C 31 0.760 -6.783 3.413 1.00 99.99 O ATOM 931 CB SER C 31 0.371 -6.414 6.614 1.00 99.99 C ATOM 932 OG SER C 31 0.331 -5.422 7.638 1.00 99.99 O ATOM 0 H SER C 31 -2.081 -5.872 6.411 1.00 99.99 H new ATOM 0 HA SER C 31 0.152 -4.939 5.060 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.139 -7.315 6.955 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.405 -6.691 6.410 1.00 99.99 H new ATOM 0 HG SER C 31 -0.597 -5.275 7.915 1.00 99.99 H new ATOM 938 N ILE C 32 -0.771 -8.013 4.366 1.00 99.99 N ATOM 939 CA ILE C 32 -0.643 -9.128 3.436 1.00 99.99 C ATOM 940 C ILE C 32 -1.047 -8.674 2.042 1.00 99.99 C ATOM 941 O ILE C 32 -0.438 -9.089 1.091 1.00 99.99 O ATOM 942 CB ILE C 32 -1.559 -10.308 3.790 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.129 -10.931 5.137 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.532 -11.378 2.680 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.190 -11.868 5.730 1.00 99.99 C ATOM 0 H ILE C 32 -1.474 -8.155 5.091 1.00 99.99 H new ATOM 0 HA ILE C 32 0.397 -9.451 3.489 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.578 -9.933 3.880 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.201 -11.485 4.995 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.918 -10.133 5.849 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.189 -12.204 2.954 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.873 -10.939 1.743 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.515 -11.749 2.557 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.829 -12.274 6.675 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.111 -11.312 5.902 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.384 -12.685 5.035 1.00 99.99 H new ATOM 957 N ILE C 33 -2.021 -7.875 1.971 1.00 99.99 N ATOM 958 CA ILE C 33 -2.534 -7.379 0.699 1.00 99.99 C ATOM 959 C ILE C 33 -1.441 -6.592 -0.012 1.00 99.99 C ATOM 960 O ILE C 33 -1.237 -6.800 -1.181 1.00 99.99 O ATOM 961 CB ILE C 33 -3.718 -6.416 0.865 1.00 99.99 C ATOM 962 CG1 ILE C 33 -5.010 -7.251 1.042 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.848 -5.445 -0.322 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.209 -6.468 1.589 1.00 99.99 C ATOM 0 H ILE C 33 -2.519 -7.519 2.787 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.859 -8.256 0.139 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.548 -5.799 1.747 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.283 -7.681 0.078 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.799 -8.083 1.714 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.699 -4.784 -0.160 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -2.938 -4.851 -0.408 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -3.999 -6.012 -1.241 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.068 -7.133 1.679 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -5.961 -6.060 2.569 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.452 -5.652 0.908 1.00 99.99 H new ATOM 976 N GLY C 34 -0.805 -5.755 0.685 1.00 99.99 N ATOM 977 CA GLY C 34 0.252 -4.917 0.127 1.00 99.99 C ATOM 978 C GLY C 34 1.418 -5.794 -0.298 1.00 99.99 C ATOM 979 O GLY C 34 2.033 -5.509 -1.295 1.00 99.99 O ATOM 0 H GLY C 34 -0.977 -5.601 1.678 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.126 -4.356 -0.728 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.582 -4.187 0.867 1.00 99.99 H new ATOM 983 N ILE C 35 1.369 -7.070 0.050 1.00 99.99 N ATOM 984 CA ILE C 35 2.415 -7.940 -0.479 1.00 99.99 C ATOM 985 C ILE C 35 1.906 -8.640 -1.729 1.00 99.99 C ATOM 986 O ILE C 35 2.605 -8.667 -2.709 1.00 99.99 O ATOM 987 CB ILE C 35 2.823 -9.047 0.501 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.349 -8.431 1.822 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.902 -9.945 -0.142 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.490 -9.421 2.983 1.00 99.99 C ATOM 0 H ILE C 35 0.671 -7.507 0.652 1.00 99.99 H new ATOM 0 HA ILE C 35 3.274 -7.299 -0.675 1.00 99.99 H new ATOM 0 HB ILE C 35 1.949 -9.656 0.731 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.321 -7.975 1.632 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.675 -7.630 2.126 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.188 -10.729 0.559 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.505 -10.397 -1.051 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.776 -9.343 -0.389 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.864 -8.898 3.863 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.518 -9.860 3.207 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.189 -10.210 2.705 1.00 99.99 H new ATOM 1002 N LEU C 36 0.758 -9.159 -1.657 1.00 99.99 N ATOM 1003 CA LEU C 36 0.158 -9.885 -2.771 1.00 99.99 C ATOM 1004 C LEU C 36 0.049 -8.958 -3.973 1.00 99.99 C ATOM 1005 O LEU C 36 0.336 -9.378 -5.064 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.265 -10.372 -2.469 1.00 99.99 C ATOM 1007 CG LEU C 36 -2.005 -11.031 -3.652 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.292 -12.311 -4.108 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.469 -11.319 -3.292 1.00 99.99 C ATOM 0 H LEU C 36 0.169 -9.112 -0.826 1.00 99.99 H new ATOM 0 HA LEU C 36 0.800 -10.746 -2.957 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.219 -11.087 -1.648 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.855 -9.524 -2.121 1.00 99.99 H new ATOM 0 HG LEU C 36 -1.994 -10.328 -4.485 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.836 -12.753 -4.943 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.277 -12.069 -4.424 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.255 -13.021 -3.282 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -3.968 -11.783 -4.142 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.507 -11.993 -2.436 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -3.972 -10.385 -3.041 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.389 -7.693 -3.774 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.594 -6.716 -4.817 1.00 99.99 C ATOM 1023 C HIS C 37 0.710 -6.406 -5.502 1.00 99.99 C ATOM 1024 O HIS C 37 0.734 -6.066 -6.684 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.190 -5.404 -4.254 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.608 -4.412 -5.308 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -1.848 -3.095 -5.024 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.873 -4.589 -6.625 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.236 -2.490 -6.139 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.258 -3.376 -7.126 1.00 99.99 N ATOM 0 H HIS C 37 -0.611 -7.333 -2.846 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.299 -7.143 -5.531 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -2.055 -5.647 -3.637 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.454 -4.935 -3.601 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.795 -5.515 -7.176 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.493 -1.445 -6.229 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.518 -3.185 -8.094 1.00 99.99 H new ATOM 1038 N LEU C 38 1.835 -6.561 -4.763 1.00 99.99 N ATOM 1039 CA LEU C 38 3.173 -6.320 -5.288 1.00 99.99 C ATOM 1040 C LEU C 38 3.546 -7.438 -6.249 1.00 99.99 C ATOM 1041 O LEU C 38 4.082 -7.161 -7.292 1.00 99.99 O ATOM 1042 CB LEU C 38 4.253 -6.310 -4.196 1.00 99.99 C ATOM 1043 CG LEU C 38 5.682 -6.080 -4.744 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.797 -4.744 -5.491 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.742 -6.169 -3.645 1.00 99.99 C ATOM 0 H LEU C 38 1.825 -6.857 -3.787 1.00 99.99 H new ATOM 0 HA LEU C 38 3.140 -5.342 -5.768 1.00 99.99 H new ATOM 0 HB2 LEU C 38 4.020 -5.529 -3.472 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.226 -7.259 -3.661 1.00 99.99 H new ATOM 0 HG LEU C 38 5.870 -6.885 -5.455 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.815 -4.620 -5.860 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.103 -4.736 -6.331 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.555 -3.926 -4.813 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.729 -6.001 -4.077 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.544 -5.412 -2.886 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.710 -7.158 -3.188 1.00 99.99 H new ATOM 1057 N ILE C 39 3.269 -8.612 -5.883 1.00 99.99 N ATOM 1058 CA ILE C 39 3.595 -9.781 -6.693 1.00 99.99 C ATOM 1059 C ILE C 39 2.771 -9.750 -7.971 1.00 99.99 C ATOM 1060 O ILE C 39 3.302 -10.028 -9.018 1.00 99.99 O ATOM 1061 CB ILE C 39 3.259 -11.106 -5.993 1.00 99.99 C ATOM 1062 CG1 ILE C 39 4.187 -11.305 -4.775 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.402 -12.283 -6.981 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.811 -12.510 -3.901 1.00 99.99 C ATOM 0 H ILE C 39 2.802 -8.833 -5.004 1.00 99.99 H new ATOM 0 HA ILE C 39 4.668 -9.736 -6.879 1.00 99.99 H new ATOM 0 HB ILE C 39 2.226 -11.073 -5.645 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.211 -11.428 -5.127 1.00 99.99 H new ATOM 0 HG13 ILE C 39 4.166 -10.403 -4.163 1.00 99.99 H new ATOM 0 HG21 ILE C 39 3.161 -13.216 -6.472 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.720 -12.140 -7.819 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.427 -12.325 -7.351 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.507 -12.585 -3.066 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.799 -12.380 -3.519 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.860 -13.421 -4.497 1.00 99.99 H new ATOM 1076 N LEU C 40 1.556 -9.438 -7.853 1.00 99.99 N ATOM 1077 CA LEU C 40 0.644 -9.394 -8.990 1.00 99.99 C ATOM 1078 C LEU C 40 1.146 -8.372 -9.999 1.00 99.99 C ATOM 1079 O LEU C 40 1.144 -8.656 -11.171 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.775 -8.958 -8.604 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.586 -9.984 -7.782 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -2.938 -9.366 -7.371 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.820 -11.292 -8.549 1.00 99.99 C ATOM 0 H LEU C 40 1.121 -9.195 -6.963 1.00 99.99 H new ATOM 0 HA LEU C 40 0.611 -10.406 -9.393 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.709 -8.032 -8.033 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.327 -8.731 -9.516 1.00 99.99 H new ATOM 0 HG LEU C 40 -1.002 -10.230 -6.895 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.508 -10.092 -6.791 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.763 -8.476 -6.767 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.500 -9.093 -8.264 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.394 -11.980 -7.928 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.372 -11.083 -9.465 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.860 -11.744 -8.799 1.00 99.99 H new ATOM 1095 N TRP C 41 1.539 -7.266 -9.536 1.00 99.99 N ATOM 1096 CA TRP C 41 2.019 -6.187 -10.390 1.00 99.99 C ATOM 1097 C TRP C 41 3.337 -6.602 -11.028 1.00 99.99 C ATOM 1098 O TRP C 41 3.531 -6.350 -12.190 1.00 99.99 O ATOM 1099 CB TRP C 41 2.299 -4.892 -9.616 1.00 99.99 C ATOM 1100 CG TRP C 41 2.699 -3.721 -10.495 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.877 -2.944 -11.253 1.00 99.99 C ATOM 1102 CD2 TRP C 41 4.043 -3.290 -10.771 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.603 -2.001 -11.923 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.938 -2.218 -11.677 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.284 -3.736 -10.304 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 5.070 -1.554 -12.125 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.421 -3.072 -10.769 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.323 -1.994 -11.666 1.00 99.99 C ATOM 0 H TRP C 41 1.551 -7.044 -8.540 1.00 99.99 H new ATOM 0 HA TRP C 41 1.234 -6.002 -11.123 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.409 -4.620 -9.049 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.093 -5.078 -8.893 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.805 -3.057 -11.315 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.219 -1.259 -12.508 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.360 -4.561 -9.611 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.991 -0.721 -12.808 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.396 -3.393 -10.433 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.220 -1.499 -12.006 1.00 99.99 H new ATOM 1119 N ILE C 42 4.166 -7.187 -10.277 1.00 99.99 N ATOM 1120 CA ILE C 42 5.480 -7.615 -10.749 1.00 99.99 C ATOM 1121 C ILE C 42 5.305 -8.711 -11.790 1.00 99.99 C ATOM 1122 O ILE C 42 5.980 -8.680 -12.789 1.00 99.99 O ATOM 1123 CB ILE C 42 6.348 -8.211 -9.636 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.808 -7.098 -8.666 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.573 -8.944 -10.226 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.607 -7.620 -7.462 1.00 99.99 C ATOM 0 H ILE C 42 3.985 -7.403 -9.297 1.00 99.99 H new ATOM 0 HA ILE C 42 5.968 -6.726 -11.147 1.00 99.99 H new ATOM 0 HB ILE C 42 5.749 -8.936 -9.086 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.420 -6.381 -9.214 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.932 -6.559 -8.304 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.174 -9.358 -9.416 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.236 -9.750 -10.877 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.175 -8.241 -10.801 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.896 -6.783 -6.826 1.00 99.99 H new ATOM 0 HD12 ILE C 42 6.991 -8.314 -6.890 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.502 -8.133 -7.814 1.00 99.99 H new ATOM 1138 N LEU C 43 4.454 -9.606 -11.533 1.00 99.99 N ATOM 1139 CA LEU C 43 4.207 -10.727 -12.430 1.00 99.99 C ATOM 1140 C LEU C 43 3.624 -10.208 -13.737 1.00 99.99 C ATOM 1141 O LEU C 43 3.928 -10.749 -14.770 1.00 99.99 O ATOM 1142 CB LEU C 43 3.186 -11.726 -11.869 1.00 99.99 C ATOM 1143 CG LEU C 43 3.691 -12.539 -10.654 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.523 -13.304 -10.003 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.811 -13.518 -11.041 1.00 99.99 C ATOM 0 H LEU C 43 3.881 -9.614 -10.689 1.00 99.99 H new ATOM 0 HA LEU C 43 5.166 -11.228 -12.564 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.286 -11.184 -11.579 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.900 -12.418 -12.661 1.00 99.99 H new ATOM 0 HG LEU C 43 4.106 -11.830 -9.937 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.891 -13.872 -9.149 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.766 -12.595 -9.668 1.00 99.99 H new ATOM 0 HD13 LEU C 43 2.084 -13.986 -10.731 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.135 -14.068 -10.157 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.439 -14.219 -11.788 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.654 -12.962 -11.452 1.00 99.99 H new ATOM 1157 N ASP C 44 2.834 -9.228 -13.653 1.00 99.99 N ATOM 1158 CA ASP C 44 2.184 -8.647 -14.819 1.00 99.99 C ATOM 1159 C ASP C 44 3.232 -7.980 -15.701 1.00 99.99 C ATOM 1160 O ASP C 44 3.155 -8.104 -16.898 1.00 99.99 O ATOM 1161 CB ASP C 44 1.166 -7.556 -14.458 1.00 99.99 C ATOM 1162 CG ASP C 44 0.421 -7.012 -15.693 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.356 -7.782 -16.305 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.575 -5.798 -16.022 1.00 99.99 O ATOM 0 H ASP C 44 2.593 -8.773 -12.773 1.00 99.99 H new ATOM 0 HA ASP C 44 1.668 -9.467 -15.319 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.442 -7.959 -13.749 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.680 -6.736 -13.957 1.00 99.99 H new ATOM 1169 N ARG C 45 4.129 -7.321 -15.110 1.00 99.99 N ATOM 1170 CA ARG C 45 5.182 -6.613 -15.830 1.00 99.99 C ATOM 1171 C ARG C 45 6.039 -7.615 -16.588 1.00 99.99 C ATOM 1172 O ARG C 45 6.359 -7.371 -17.723 1.00 99.99 O ATOM 1173 CB ARG C 45 6.133 -5.849 -14.899 1.00 99.99 C ATOM 1174 CG ARG C 45 5.456 -4.695 -14.131 1.00 99.99 C ATOM 1175 CD ARG C 45 5.191 -3.462 -15.006 1.00 99.99 C ATOM 1176 NE ARG C 45 3.793 -3.557 -15.560 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.434 -2.884 -16.670 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.297 -2.079 -17.315 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.171 -3.005 -17.108 1.00 99.99 N ATOM 0 H ARG C 45 4.188 -7.233 -14.096 1.00 99.99 H new ATOM 0 HA ARG C 45 4.677 -5.906 -16.488 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.564 -6.548 -14.182 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.958 -5.447 -15.487 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.512 -5.048 -13.716 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.087 -4.407 -13.290 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.304 -2.550 -14.419 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.917 -3.411 -15.818 1.00 99.99 H new ATOM 0 HE ARG C 45 3.105 -4.142 -15.085 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.249 -1.967 -16.965 1.00 99.99 H new ATOM 0 HH12 ARG C 45 4.000 -1.580 -18.154 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.510 -3.595 -16.603 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.872 -2.506 -17.946 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 6.460 -10.349 -17.709 1.00 99.99 C ATOM 1196 O LEU C 46 5.456 -11.030 -17.505 1.00 99.99 O ATOM 1197 CB LEU C 46 7.563 -10.817 -15.576 1.00 99.99 C ATOM 1198 CG LEU C 46 8.330 -10.422 -14.290 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.362 -11.642 -13.350 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.754 -9.925 -14.560 1.00 99.99 C ATOM 0 H LEU C 46 6.080 -8.860 -15.006 1.00 99.99 H new ATOM 0 HA LEU C 46 8.124 -9.195 -16.880 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.637 -11.309 -15.278 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.159 -11.557 -16.110 1.00 99.99 H new ATOM 0 HG LEU C 46 7.803 -9.585 -13.831 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.899 -11.384 -12.437 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.342 -11.936 -13.101 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.868 -12.470 -13.846 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.234 -9.665 -13.616 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.326 -10.710 -15.054 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.717 -9.045 -15.202 1.00 99.99 H new ATOM 1213 N SER D 22 10.398 -0.531 18.950 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 7.860 -1.405 18.453 1.00 99.99 O ATOM 1217 CB SER D 22 11.006 -2.529 17.537 1.00 99.99 C ATOM 1218 OG SER D 22 10.759 -3.500 18.550 1.00 99.99 O ATOM 0 HA SER D 22 10.372 -0.573 16.863 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.832 -2.980 16.560 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.056 -2.237 17.571 1.00 99.99 H new ATOM 0 HG SER D 22 11.343 -4.275 18.410 1.00 99.99 H new ATOM 1223 N SER D 23 8.282 -2.118 16.340 1.00 99.99 N ATOM 1224 CA SER D 23 6.953 -2.603 16.054 1.00 99.99 C ATOM 1225 C SER D 23 7.128 -4.030 15.601 1.00 99.99 C ATOM 1226 O SER D 23 8.184 -4.626 15.811 1.00 99.99 O ATOM 1227 CB SER D 23 6.229 -1.760 14.975 1.00 99.99 C ATOM 1228 OG SER D 23 6.047 -0.427 15.433 1.00 99.99 O ATOM 0 H SER D 23 8.923 -2.208 15.551 1.00 99.99 H new ATOM 0 HA SER D 23 6.322 -2.529 16.940 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.811 -1.759 14.053 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.263 -2.207 14.742 1.00 99.99 H new ATOM 0 HG SER D 23 5.590 0.097 14.742 1.00 99.99 H new ATOM 1234 N ASP D 24 6.074 -4.628 14.990 1.00 99.99 N ATOM 1235 CA ASP D 24 6.038 -6.034 14.630 1.00 99.99 C ATOM 1236 C ASP D 24 6.632 -6.193 13.247 1.00 99.99 C ATOM 1237 O ASP D 24 6.555 -5.245 12.472 1.00 99.99 O ATOM 1238 CB ASP D 24 4.588 -6.595 14.607 1.00 99.99 C ATOM 1239 CG ASP D 24 3.934 -6.522 15.990 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.667 -6.435 17.013 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.675 -6.563 16.038 1.00 99.99 O ATOM 0 H ASP D 24 5.223 -4.125 14.738 1.00 99.99 H new ATOM 0 HA ASP D 24 6.605 -6.587 15.379 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.990 -6.031 13.891 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.603 -7.630 14.265 1.00 99.99 H new ATOM 1246 N PRO D 25 7.248 -7.315 12.868 1.00 99.99 N ATOM 1247 CA PRO D 25 8.123 -7.378 11.707 1.00 99.99 C ATOM 1248 C PRO D 25 7.367 -7.370 10.398 1.00 99.99 C ATOM 1249 O PRO D 25 7.965 -6.970 9.411 1.00 99.99 O ATOM 1250 CB PRO D 25 8.905 -8.691 11.880 1.00 99.99 C ATOM 1251 CG PRO D 25 8.014 -9.547 12.782 1.00 99.99 C ATOM 1252 CD PRO D 25 7.379 -8.508 13.702 1.00 99.99 C ATOM 0 HA PRO D 25 8.769 -6.501 11.659 1.00 99.99 H new ATOM 0 HB2 PRO D 25 9.083 -9.177 10.921 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.880 -8.516 12.335 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.265 -10.095 12.210 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.591 -10.284 13.340 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.410 -8.843 14.071 1.00 99.99 H new ATOM 0 HD3 PRO D 25 8.003 -8.316 14.575 1.00 99.99 H new ATOM 1260 N LEU D 26 6.088 -7.811 10.370 1.00 99.99 N ATOM 1261 CA LEU D 26 5.158 -7.773 9.249 1.00 99.99 C ATOM 1262 C LEU D 26 4.726 -6.336 9.001 1.00 99.99 C ATOM 1263 O LEU D 26 4.671 -5.929 7.868 1.00 99.99 O ATOM 1264 CB LEU D 26 3.874 -8.572 9.509 1.00 99.99 C ATOM 1265 CG LEU D 26 2.742 -8.407 8.470 1.00 99.99 C ATOM 1266 CD1 LEU D 26 3.131 -8.928 7.084 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.461 -9.093 8.965 1.00 99.99 C ATOM 0 H LEU D 26 5.661 -8.230 11.196 1.00 99.99 H new ATOM 0 HA LEU D 26 5.686 -8.208 8.400 1.00 99.99 H new ATOM 0 HB2 LEU D 26 4.134 -9.629 9.566 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.485 -8.286 10.486 1.00 99.99 H new ATOM 0 HG LEU D 26 2.560 -7.338 8.363 1.00 99.99 H new ATOM 0 HD11 LEU D 26 2.298 -8.787 6.395 1.00 99.99 H new ATOM 0 HD12 LEU D 26 4.000 -8.380 6.720 1.00 99.99 H new ATOM 0 HD13 LEU D 26 3.372 -9.989 7.149 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.672 -8.969 8.223 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.652 -10.155 9.117 1.00 99.99 H new ATOM 0 HD23 LEU D 26 1.148 -8.643 9.907 1.00 99.99 H new ATOM 1279 N VAL D 27 4.439 -5.650 10.021 1.00 99.99 N ATOM 1280 CA VAL D 27 3.987 -4.266 9.929 1.00 99.99 C ATOM 1281 C VAL D 27 5.119 -3.401 9.396 1.00 99.99 C ATOM 1282 O VAL D 27 4.884 -2.603 8.523 1.00 99.99 O ATOM 1283 CB VAL D 27 3.594 -3.675 11.290 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.241 -2.181 11.155 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.376 -4.441 11.853 1.00 99.99 C ATOM 0 H VAL D 27 4.500 -6.005 10.975 1.00 99.99 H new ATOM 0 HA VAL D 27 3.115 -4.271 9.274 1.00 99.99 H new ATOM 0 HB VAL D 27 4.441 -3.774 11.969 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.965 -1.783 12.131 1.00 99.99 H new ATOM 0 HG12 VAL D 27 4.104 -1.637 10.771 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.404 -2.066 10.467 1.00 99.99 H new ATOM 0 HG21 VAL D 27 2.097 -4.021 12.819 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.538 -4.350 11.162 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.633 -5.493 11.975 1.00 99.99 H new ATOM 1295 N VAL D 28 6.255 -3.571 9.918 1.00 99.99 N ATOM 1296 CA VAL D 28 7.422 -2.792 9.523 1.00 99.99 C ATOM 1297 C VAL D 28 7.823 -3.172 8.105 1.00 99.99 C ATOM 1298 O VAL D 28 8.111 -2.300 7.324 1.00 99.99 O ATOM 1299 CB VAL D 28 8.647 -3.060 10.407 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.903 -2.357 9.852 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.364 -2.584 11.846 1.00 99.99 C ATOM 0 H VAL D 28 6.442 -4.258 10.648 1.00 99.99 H new ATOM 0 HA VAL D 28 7.136 -1.744 9.615 1.00 99.99 H new ATOM 0 HB VAL D 28 8.839 -4.133 10.410 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.754 -2.566 10.501 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.113 -2.726 8.848 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.731 -1.281 9.815 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.236 -2.776 12.471 1.00 99.99 H new ATOM 0 HG22 VAL D 28 8.150 -1.515 11.840 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.506 -3.124 12.246 1.00 99.99 H new ATOM 1311 N ALA D 29 7.836 -4.403 7.834 1.00 99.99 N ATOM 1312 CA ALA D 29 8.227 -4.911 6.522 1.00 99.99 C ATOM 1313 C ALA D 29 7.267 -4.375 5.470 1.00 99.99 C ATOM 1314 O ALA D 29 7.712 -3.990 4.416 1.00 99.99 O ATOM 1315 CB ALA D 29 8.159 -6.440 6.429 1.00 99.99 C ATOM 0 H ALA D 29 7.578 -5.130 8.501 1.00 99.99 H new ATOM 0 HA ALA D 29 9.255 -4.587 6.362 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.461 -6.758 5.431 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.829 -6.880 7.168 1.00 99.99 H new ATOM 0 HB3 ALA D 29 7.139 -6.771 6.622 1.00 99.99 H new ATOM 1321 N ALA D 30 6.042 -4.373 5.770 1.00 99.99 N ATOM 1322 CA ALA D 30 5.013 -3.910 4.848 1.00 99.99 C ATOM 1323 C ALA D 30 5.238 -2.439 4.536 1.00 99.99 C ATOM 1324 O ALA D 30 5.003 -2.035 3.423 1.00 99.99 O ATOM 1325 CB ALA D 30 3.597 -4.016 5.432 1.00 99.99 C ATOM 0 H ALA D 30 5.681 -4.691 6.670 1.00 99.99 H new ATOM 0 HA ALA D 30 5.087 -4.545 3.965 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.874 -3.657 4.700 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.381 -5.056 5.676 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.530 -3.410 6.336 1.00 99.99 H new ATOM 1331 N SER D 31 5.663 -1.721 5.480 1.00 99.99 N ATOM 1332 CA SER D 31 5.899 -0.290 5.329 1.00 99.99 C ATOM 1333 C SER D 31 6.969 -0.067 4.271 1.00 99.99 C ATOM 1334 O SER D 31 6.783 0.760 3.413 1.00 99.99 O ATOM 1335 CB SER D 31 6.414 0.371 6.614 1.00 99.99 C ATOM 1336 OG SER D 31 5.422 0.331 7.638 1.00 99.99 O ATOM 0 H SER D 31 5.872 -2.081 6.411 1.00 99.99 H new ATOM 0 HA SER D 31 4.939 0.152 5.060 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.315 -0.139 6.955 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.691 1.405 6.410 1.00 99.99 H new ATOM 0 HG SER D 31 5.240 -0.601 7.881 1.00 99.99 H new ATOM 1342 N ILE D 32 8.013 -0.771 4.366 1.00 99.99 N ATOM 1343 CA ILE D 32 9.128 -0.643 3.436 1.00 99.99 C ATOM 1344 C ILE D 32 8.674 -1.047 2.042 1.00 99.99 C ATOM 1345 O ILE D 32 9.089 -0.438 1.091 1.00 99.99 O ATOM 1346 CB ILE D 32 10.308 -1.559 3.790 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.931 -1.129 5.137 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.378 -1.532 2.680 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.868 -2.190 5.730 1.00 99.99 C ATOM 0 H ILE D 32 8.155 -1.474 5.091 1.00 99.99 H new ATOM 0 HA ILE D 32 9.451 0.397 3.489 1.00 99.99 H new ATOM 0 HB ILE D 32 9.933 -2.578 3.880 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.485 -0.201 4.995 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.133 -0.918 5.849 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.204 -2.189 2.954 1.00 99.99 H new ATOM 0 HG22 ILE D 32 10.939 -1.873 1.743 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.749 -0.515 2.557 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.274 -1.829 6.675 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.312 -3.111 5.902 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.685 -2.384 5.035 1.00 99.99 H new ATOM 1361 N ILE D 33 7.875 -2.021 1.971 1.00 99.99 N ATOM 1362 CA ILE D 33 7.379 -2.534 0.699 1.00 99.99 C ATOM 1363 C ILE D 33 6.592 -1.441 -0.012 1.00 99.99 C ATOM 1364 O ILE D 33 6.800 -1.237 -1.181 1.00 99.99 O ATOM 1365 CB ILE D 33 6.416 -3.718 0.865 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.251 -5.010 1.042 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.445 -3.848 -0.322 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.468 -6.209 1.589 1.00 99.99 C ATOM 0 H ILE D 33 7.519 -2.519 2.787 1.00 99.99 H new ATOM 0 HA ILE D 33 8.256 -2.859 0.139 1.00 99.99 H new ATOM 0 HB ILE D 33 5.799 -3.548 1.747 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.681 -5.283 0.078 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.083 -4.799 1.714 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.784 -4.699 -0.160 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.851 -2.938 -0.408 1.00 99.99 H new ATOM 0 HG23 ILE D 33 6.012 -3.999 -1.241 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.133 -7.068 1.679 1.00 99.99 H new ATOM 0 HD12 ILE D 33 6.060 -5.961 2.569 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.652 -6.452 0.908 1.00 99.99 H new ATOM 1380 N GLY D 34 5.755 -0.805 0.685 1.00 99.99 N ATOM 1381 CA GLY D 34 4.917 0.252 0.127 1.00 99.99 C ATOM 1382 C GLY D 34 5.794 1.418 -0.298 1.00 99.99 C ATOM 1383 O GLY D 34 5.509 2.033 -1.295 1.00 99.99 O ATOM 0 H GLY D 34 5.601 -0.977 1.678 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.356 -0.126 -0.728 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.187 0.582 0.867 1.00 99.99 H new ATOM 1387 N ILE D 35 7.070 1.369 0.050 1.00 99.99 N ATOM 1388 CA ILE D 35 7.940 2.415 -0.479 1.00 99.99 C ATOM 1389 C ILE D 35 8.640 1.906 -1.729 1.00 99.99 C ATOM 1390 O ILE D 35 8.667 2.605 -2.709 1.00 99.99 O ATOM 1391 CB ILE D 35 9.047 2.823 0.501 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.431 3.349 1.822 1.00 99.99 C ATOM 1393 CG2 ILE D 35 9.945 3.902 -0.142 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.421 3.490 2.983 1.00 99.99 C ATOM 0 H ILE D 35 7.507 0.671 0.652 1.00 99.99 H new ATOM 0 HA ILE D 35 7.299 3.274 -0.675 1.00 99.99 H new ATOM 0 HB ILE D 35 9.656 1.949 0.731 1.00 99.99 H new ATOM 0 HG12 ILE D 35 7.975 4.321 1.632 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.630 2.675 2.126 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.729 4.188 0.559 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.397 3.505 -1.051 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.343 4.776 -0.389 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.898 3.864 3.863 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.860 2.518 3.207 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.210 4.189 2.705 1.00 99.99 H new ATOM 1406 N LEU D 36 9.159 0.758 -1.657 1.00 99.99 N ATOM 1407 CA LEU D 36 9.885 0.158 -2.771 1.00 99.99 C ATOM 1408 C LEU D 36 8.958 0.049 -3.973 1.00 99.99 C ATOM 1409 O LEU D 36 9.378 0.336 -5.064 1.00 99.99 O ATOM 1410 CB LEU D 36 10.372 -1.265 -2.469 1.00 99.99 C ATOM 1411 CG LEU D 36 11.031 -2.005 -3.652 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.311 -1.292 -4.108 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.319 -3.469 -3.292 1.00 99.99 C ATOM 0 H LEU D 36 9.112 0.169 -0.826 1.00 99.99 H new ATOM 0 HA LEU D 36 10.746 0.800 -2.957 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.087 -1.219 -1.648 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.524 -1.855 -2.121 1.00 99.99 H new ATOM 0 HG LEU D 36 10.328 -1.994 -4.485 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.753 -1.836 -4.943 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.069 -0.277 -4.424 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.021 -1.255 -3.282 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.783 -3.968 -4.142 1.00 99.99 H new ATOM 0 HD22 LEU D 36 11.993 -3.507 -2.436 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.385 -3.972 -3.041 1.00 99.99 H new ATOM 1425 N HIS D 37 7.693 -0.389 -3.774 1.00 99.99 N ATOM 1426 CA HIS D 37 6.716 -0.594 -4.817 1.00 99.99 C ATOM 1427 C HIS D 37 6.406 0.710 -5.502 1.00 99.99 C ATOM 1428 O HIS D 37 6.066 0.734 -6.684 1.00 99.99 O ATOM 1429 CB HIS D 37 5.404 -1.190 -4.254 1.00 99.99 C ATOM 1430 CG HIS D 37 4.412 -1.608 -5.308 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.095 -1.848 -5.024 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.589 -1.873 -6.625 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.490 -2.236 -6.139 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.376 -2.258 -7.126 1.00 99.99 N ATOM 0 H HIS D 37 7.333 -0.611 -2.846 1.00 99.99 H new ATOM 0 HA HIS D 37 7.143 -1.299 -5.531 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.647 -2.055 -3.637 1.00 99.99 H new ATOM 0 HB3 HIS D 37 4.935 -0.454 -3.601 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.515 -1.795 -7.176 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.445 -2.493 -6.229 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.185 -2.518 -8.094 1.00 99.99 H new ATOM 1442 N LEU D 38 6.561 1.835 -4.763 1.00 99.99 N ATOM 1443 CA LEU D 38 6.320 3.173 -5.288 1.00 99.99 C ATOM 1444 C LEU D 38 7.438 3.546 -6.249 1.00 99.99 C ATOM 1445 O LEU D 38 7.161 4.082 -7.292 1.00 99.99 O ATOM 1446 CB LEU D 38 6.310 4.253 -4.196 1.00 99.99 C ATOM 1447 CG LEU D 38 6.080 5.682 -4.744 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.744 5.797 -5.491 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.169 6.742 -3.645 1.00 99.99 C ATOM 0 H LEU D 38 6.857 1.825 -3.787 1.00 99.99 H new ATOM 0 HA LEU D 38 5.342 3.140 -5.768 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.529 4.020 -3.472 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.259 4.226 -3.661 1.00 99.99 H new ATOM 0 HG LEU D 38 6.885 5.870 -5.455 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.620 6.815 -5.860 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.736 5.103 -6.331 1.00 99.99 H new ATOM 0 HD13 LEU D 38 3.926 5.555 -4.813 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.001 7.729 -4.077 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.412 6.544 -2.886 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.158 6.710 -3.188 1.00 99.99 H new ATOM 1461 N ILE D 39 8.612 3.269 -5.883 1.00 99.99 N ATOM 1462 CA ILE D 39 9.781 3.595 -6.693 1.00 99.99 C ATOM 1463 C ILE D 39 9.750 2.771 -7.971 1.00 99.99 C ATOM 1464 O ILE D 39 10.028 3.302 -9.018 1.00 99.99 O ATOM 1465 CB ILE D 39 11.106 3.259 -5.993 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.305 4.187 -4.775 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.283 3.402 -6.981 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.510 3.811 -3.901 1.00 99.99 C ATOM 0 H ILE D 39 8.833 2.802 -5.004 1.00 99.99 H new ATOM 0 HA ILE D 39 9.736 4.668 -6.879 1.00 99.99 H new ATOM 0 HB ILE D 39 11.073 2.226 -5.645 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.428 5.211 -5.127 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.403 4.166 -4.163 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.216 3.161 -6.472 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.140 2.720 -7.819 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.325 4.427 -7.351 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.585 4.507 -3.066 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.380 2.799 -3.519 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.421 3.860 -4.497 1.00 99.99 H new ATOM 1480 N LEU D 40 9.438 1.556 -7.853 1.00 99.99 N ATOM 1481 CA LEU D 40 9.394 0.644 -8.990 1.00 99.99 C ATOM 1482 C LEU D 40 8.372 1.146 -9.999 1.00 99.99 C ATOM 1483 O LEU D 40 8.656 1.144 -11.171 1.00 99.99 O ATOM 1484 CB LEU D 40 8.958 -0.775 -8.604 1.00 99.99 C ATOM 1485 CG LEU D 40 9.984 -1.586 -7.782 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.366 -2.938 -7.371 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.292 -1.820 -8.549 1.00 99.99 C ATOM 0 H LEU D 40 9.195 1.121 -6.963 1.00 99.99 H new ATOM 0 HA LEU D 40 10.406 0.611 -9.393 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.032 -0.709 -8.033 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.731 -1.327 -9.516 1.00 99.99 H new ATOM 0 HG LEU D 40 10.230 -1.002 -6.895 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.092 -3.508 -6.791 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.476 -2.763 -6.767 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.093 -3.500 -8.264 1.00 99.99 H new ATOM 0 HD21 LEU D 40 11.980 -2.394 -7.928 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.083 -2.372 -9.465 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.744 -0.860 -8.799 1.00 99.99 H new ATOM 1499 N TRP D 41 7.266 1.539 -9.536 1.00 99.99 N ATOM 1500 CA TRP D 41 6.187 2.019 -10.390 1.00 99.99 C ATOM 1501 C TRP D 41 6.602 3.337 -11.028 1.00 99.99 C ATOM 1502 O TRP D 41 6.350 3.531 -12.190 1.00 99.99 O ATOM 1503 CB TRP D 41 4.892 2.299 -9.616 1.00 99.99 C ATOM 1504 CG TRP D 41 3.721 2.699 -10.495 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.944 1.877 -11.253 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.290 4.043 -10.771 1.00 99.99 C ATOM 1507 NE1 TRP D 41 2.001 2.603 -11.923 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.218 3.938 -11.677 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.736 5.284 -10.304 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.554 5.070 -12.125 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.072 6.421 -10.769 1.00 99.99 C ATOM 1512 CH2 TRP D 41 1.994 6.323 -11.666 1.00 99.99 C ATOM 0 H TRP D 41 7.044 1.551 -8.540 1.00 99.99 H new ATOM 0 HA TRP D 41 6.002 1.234 -11.123 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.620 1.409 -9.049 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.078 3.093 -8.893 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.057 0.805 -11.315 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.259 2.219 -12.508 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.561 5.360 -9.611 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.721 4.991 -12.808 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.393 7.396 -10.433 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.499 7.220 -12.006 1.00 99.99 H new ATOM 1523 N ILE D 42 7.187 4.166 -10.277 1.00 99.99 N ATOM 1524 CA ILE D 42 7.615 5.480 -10.749 1.00 99.99 C ATOM 1525 C ILE D 42 8.711 5.305 -11.790 1.00 99.99 C ATOM 1526 O ILE D 42 8.680 5.980 -12.789 1.00 99.99 O ATOM 1527 CB ILE D 42 8.211 6.348 -9.636 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.098 6.808 -8.666 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.944 7.573 -10.226 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.620 7.607 -7.462 1.00 99.99 C ATOM 0 H ILE D 42 7.403 3.985 -9.297 1.00 99.99 H new ATOM 0 HA ILE D 42 6.726 5.968 -11.147 1.00 99.99 H new ATOM 0 HB ILE D 42 8.936 5.749 -9.086 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.381 7.420 -9.214 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.559 5.932 -8.304 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.358 8.174 -9.416 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.750 7.236 -10.877 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.241 8.175 -10.801 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.783 7.896 -6.826 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.314 6.991 -6.890 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.133 8.502 -7.814 1.00 99.99 H new ATOM 1542 N LEU D 43 9.606 4.454 -11.533 1.00 99.99 N ATOM 1543 CA LEU D 43 10.727 4.207 -12.430 1.00 99.99 C ATOM 1544 C LEU D 43 10.208 3.624 -13.737 1.00 99.99 C ATOM 1545 O LEU D 43 10.749 3.928 -14.770 1.00 99.99 O ATOM 1546 CB LEU D 43 11.726 3.186 -11.869 1.00 99.99 C ATOM 1547 CG LEU D 43 12.539 3.691 -10.654 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.304 2.523 -10.003 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.518 4.811 -11.041 1.00 99.99 C ATOM 0 H LEU D 43 9.614 3.881 -10.689 1.00 99.99 H new ATOM 0 HA LEU D 43 11.228 5.166 -12.564 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.184 2.286 -11.579 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.418 2.900 -12.661 1.00 99.99 H new ATOM 0 HG LEU D 43 11.830 4.106 -9.937 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.872 2.891 -9.149 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.595 1.766 -9.668 1.00 99.99 H new ATOM 0 HD13 LEU D 43 13.986 2.084 -10.731 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.068 5.135 -10.157 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.219 4.439 -11.788 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.962 5.654 -11.452 1.00 99.99 H new ATOM 1561 N ASP D 44 9.228 2.834 -13.653 1.00 99.99 N ATOM 1562 CA ASP D 44 8.647 2.184 -14.819 1.00 99.99 C ATOM 1563 C ASP D 44 7.980 3.232 -15.701 1.00 99.99 C ATOM 1564 O ASP D 44 8.104 3.155 -16.898 1.00 99.99 O ATOM 1565 CB ASP D 44 7.556 1.166 -14.458 1.00 99.99 C ATOM 1566 CG ASP D 44 7.012 0.421 -15.693 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.782 -0.356 -16.305 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.798 0.575 -16.022 1.00 99.99 O ATOM 0 H ASP D 44 8.773 2.593 -12.773 1.00 99.99 H new ATOM 0 HA ASP D 44 9.467 1.668 -15.319 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.959 0.442 -13.749 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.736 1.680 -13.957 1.00 99.99 H new ATOM 1573 N ARG D 45 7.321 4.129 -15.110 1.00 99.99 N ATOM 1574 CA ARG D 45 6.613 5.182 -15.830 1.00 99.99 C ATOM 1575 C ARG D 45 7.615 6.039 -16.588 1.00 99.99 C ATOM 1576 O ARG D 45 7.371 6.359 -17.723 1.00 99.99 O ATOM 1577 CB ARG D 45 5.849 6.133 -14.899 1.00 99.99 C ATOM 1578 CG ARG D 45 4.695 5.456 -14.131 1.00 99.99 C ATOM 1579 CD ARG D 45 3.462 5.191 -15.006 1.00 99.99 C ATOM 1580 NE ARG D 45 3.557 3.793 -15.560 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.884 3.434 -16.670 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.079 4.297 -17.315 1.00 99.99 N ATOM 1583 NH2 ARG D 45 3.005 2.171 -17.108 1.00 99.99 N ATOM 0 H ARG D 45 7.233 4.188 -14.096 1.00 99.99 H new ATOM 0 HA ARG D 45 5.906 4.677 -16.488 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.548 6.564 -14.182 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.447 6.958 -15.487 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.048 4.512 -13.716 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.407 6.087 -13.290 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.550 5.304 -14.419 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.411 5.917 -15.818 1.00 99.99 H new ATOM 0 HE ARG D 45 4.142 3.105 -15.085 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.967 5.249 -16.965 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.580 4.000 -18.154 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.595 1.510 -16.603 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.506 1.872 -17.946 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 10.349 6.460 -17.709 1.00 99.99 C ATOM 1600 O LEU D 46 11.030 5.456 -17.505 1.00 99.99 O ATOM 1601 CB LEU D 46 10.817 7.563 -15.576 1.00 99.99 C ATOM 1602 CG LEU D 46 10.422 8.330 -14.290 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.642 8.362 -13.350 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.925 9.754 -14.560 1.00 99.99 C ATOM 0 H LEU D 46 8.860 6.080 -15.006 1.00 99.99 H new ATOM 0 HA LEU D 46 9.195 8.124 -16.880 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.309 6.637 -15.278 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.557 8.159 -16.110 1.00 99.99 H new ATOM 0 HG LEU D 46 9.585 7.803 -13.831 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.384 8.899 -12.437 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.936 7.342 -13.101 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.470 8.868 -13.846 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.665 10.234 -13.616 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.710 10.326 -15.054 1.00 99.99 H new ATOM 0 HD23 LEU D 46 9.045 9.717 -15.202 1.00 99.99 H new