USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 794 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 1 MET CE :methyl 160:sc= -0.116 (180deg=-0.585) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.197 (180deg=-0.218) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= -0.119 K(o=-0.12,f=-1) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.044) USER MOD Single : A 8 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.48) USER MOD Single : A 9 SER OG : rot 180:sc= -0.192 USER MOD Single : A 10 HIS : no HE2:sc= -1.05 K(o=-1,f=-1.9) USER MOD Single : A 11 MET CE :methyl -164:sc= 0 (180deg=-0.227) USER MOD Single : A 22 THR OG1 : rot -32:sc= 0.785 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -2.56 K(o=-2.6,f=-10!) USER MOD Single : A 36 HIS : no HE2:sc= -3.96! C(o=-3.9!,f=-4.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.354 K(o=-0.35,f=-3.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 72:sc= 0.915 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.875 X(o=-0.87,f=-0.81) USER MOD Single : A 62 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.1!) USER MOD Single : A 76 TYR OH : rot -143:sc= 0.236 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 63:sc= -1.95! USER MOD Single : A 96 GLN : amide:sc= -0.763 K(o=-0.76,f=-0.022) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.439 3.957 15.793 1.00 72.41 N ATOM 2 CA MET A 1 23.637 4.856 16.666 1.00 11.45 C ATOM 3 C MET A 1 22.834 5.889 15.855 1.00 51.44 C ATOM 4 O MET A 1 21.840 6.430 16.343 1.00 62.42 O ATOM 5 CB MET A 1 24.545 5.550 17.700 1.00 11.20 C ATOM 6 CG MET A 1 25.785 6.220 17.116 1.00 33.54 C ATOM 7 SD MET A 1 25.402 7.609 16.032 1.00 50.04 S ATOM 8 CE MET A 1 24.609 8.738 17.179 1.00 71.14 C ATOM 0 H1 MET A 1 24.976 3.289 16.382 1.00 72.41 H new ATOM 0 H2 MET A 1 23.803 3.428 15.162 1.00 72.41 H new ATOM 0 H3 MET A 1 25.099 4.524 15.223 1.00 72.41 H new ATOM 0 HA MET A 1 22.912 4.238 17.195 1.00 11.45 H new ATOM 0 HB2 MET A 1 23.960 6.301 18.231 1.00 11.20 H new ATOM 0 HB3 MET A 1 24.861 4.813 18.438 1.00 11.20 H new ATOM 0 HG2 MET A 1 26.419 6.569 17.931 1.00 33.54 H new ATOM 0 HG3 MET A 1 26.360 5.481 16.558 1.00 33.54 H new ATOM 0 HE1 MET A 1 24.636 9.749 16.772 1.00 71.14 H new ATOM 0 HE2 MET A 1 23.573 8.435 17.330 1.00 71.14 H new ATOM 0 HE3 MET A 1 25.136 8.717 18.133 1.00 71.14 H new ATOM 20 N GLY A 2 23.254 6.161 14.617 1.00 71.24 N ATOM 21 CA GLY A 2 22.498 7.070 13.755 1.00 40.33 C ATOM 22 C GLY A 2 23.369 8.086 13.013 1.00 75.40 C ATOM 23 O GLY A 2 24.256 8.710 13.597 1.00 1.44 O ATOM 0 H GLY A 2 24.098 5.773 14.196 1.00 71.24 H new ATOM 0 HA2 GLY A 2 21.939 6.483 13.026 1.00 40.33 H new ATOM 0 HA3 GLY A 2 21.767 7.606 14.360 1.00 40.33 H new ATOM 27 N HIS A 3 23.111 8.248 11.717 1.00 2.32 N ATOM 28 CA HIS A 3 23.818 9.237 10.894 1.00 13.51 C ATOM 29 C HIS A 3 22.849 10.286 10.318 1.00 54.23 C ATOM 30 O HIS A 3 21.771 9.947 9.823 1.00 20.12 O ATOM 31 CB HIS A 3 24.558 8.539 9.743 1.00 5.04 C ATOM 32 CG HIS A 3 25.617 7.577 10.193 1.00 34.01 C ATOM 33 ND1 HIS A 3 25.384 6.229 10.370 1.00 42.53 N ATOM 34 CD2 HIS A 3 26.927 7.766 10.490 1.00 45.02 C ATOM 35 CE1 HIS A 3 26.493 5.634 10.755 1.00 65.15 C ATOM 36 NE2 HIS A 3 27.443 6.540 10.837 1.00 70.12 N ATOM 0 H HIS A 3 22.414 7.705 11.208 1.00 2.32 H new ATOM 0 HA HIS A 3 24.536 9.747 11.536 1.00 13.51 H new ATOM 0 HB2 HIS A 3 23.833 8.004 9.130 1.00 5.04 H new ATOM 0 HB3 HIS A 3 25.016 9.296 9.107 1.00 5.04 H new ATOM 0 HD2 HIS A 3 27.463 8.703 10.460 1.00 45.02 H new ATOM 0 HE1 HIS A 3 26.604 4.581 10.967 1.00 65.15 H new ATOM 0 HE2 HIS A 3 28.408 6.361 11.114 1.00 70.12 H new ATOM 45 N HIS A 4 23.241 11.557 10.388 1.00 44.30 N ATOM 46 CA HIS A 4 22.459 12.652 9.802 1.00 73.22 C ATOM 47 C HIS A 4 22.873 12.899 8.340 1.00 33.43 C ATOM 48 O HIS A 4 24.046 13.139 8.056 1.00 30.30 O ATOM 49 CB HIS A 4 22.645 13.931 10.633 1.00 61.13 C ATOM 50 CG HIS A 4 21.960 15.137 10.056 1.00 3.02 C ATOM 51 ND1 HIS A 4 20.614 15.385 10.208 1.00 11.23 N ATOM 52 CD2 HIS A 4 22.442 16.161 9.310 1.00 13.21 C ATOM 53 CE1 HIS A 4 20.298 16.502 9.584 1.00 72.42 C ATOM 54 NE2 HIS A 4 21.387 16.992 9.030 1.00 73.33 N ATOM 0 H HIS A 4 24.101 11.858 10.847 1.00 44.30 H new ATOM 0 HA HIS A 4 21.406 12.370 9.813 1.00 73.22 H new ATOM 0 HB2 HIS A 4 22.265 13.757 11.640 1.00 61.13 H new ATOM 0 HB3 HIS A 4 23.711 14.140 10.726 1.00 61.13 H new ATOM 0 HD2 HIS A 4 23.466 16.297 8.995 1.00 13.21 H new ATOM 0 HE1 HIS A 4 19.312 16.941 9.535 1.00 72.42 H new ATOM 0 HE2 HIS A 4 21.438 17.850 8.481 1.00 73.33 H new ATOM 63 N HIS A 5 21.897 12.846 7.425 1.00 2.33 N ATOM 64 CA HIS A 5 22.144 13.053 5.991 1.00 33.55 C ATOM 65 C HIS A 5 23.052 11.955 5.404 1.00 42.10 C ATOM 66 O HIS A 5 24.260 12.143 5.239 1.00 51.50 O ATOM 67 CB HIS A 5 22.744 14.448 5.748 1.00 43.34 C ATOM 68 CG HIS A 5 22.974 14.776 4.306 1.00 64.33 C ATOM 69 ND1 HIS A 5 24.138 14.463 3.638 1.00 64.22 N ATOM 70 CD2 HIS A 5 22.185 15.402 3.401 1.00 34.34 C ATOM 71 CE1 HIS A 5 24.057 14.882 2.392 1.00 15.33 C ATOM 72 NE2 HIS A 5 22.885 15.452 2.225 1.00 22.24 N ATOM 0 H HIS A 5 20.921 12.660 7.654 1.00 2.33 H new ATOM 0 HA HIS A 5 21.186 12.990 5.475 1.00 33.55 H new ATOM 0 HB2 HIS A 5 22.078 15.197 6.177 1.00 43.34 H new ATOM 0 HB3 HIS A 5 23.692 14.521 6.281 1.00 43.34 H new ATOM 0 HD1 HIS A 5 24.939 13.981 4.046 1.00 64.22 H new ATOM 0 HD2 HIS A 5 21.192 15.789 3.574 1.00 34.34 H new ATOM 0 HE1 HIS A 5 24.822 14.775 1.637 1.00 15.33 H new ATOM 81 N HIS A 6 22.461 10.800 5.106 1.00 61.23 N ATOM 82 CA HIS A 6 23.205 9.673 4.528 1.00 20.54 C ATOM 83 C HIS A 6 22.776 9.414 3.071 1.00 2.40 C ATOM 84 O HIS A 6 23.607 9.123 2.214 1.00 22.00 O ATOM 85 CB HIS A 6 23.003 8.410 5.382 1.00 32.11 C ATOM 86 CG HIS A 6 23.878 7.257 4.982 1.00 40.32 C ATOM 87 ND1 HIS A 6 23.402 5.977 4.794 1.00 4.44 N ATOM 88 CD2 HIS A 6 25.214 7.190 4.757 1.00 54.22 C ATOM 89 CE1 HIS A 6 24.399 5.179 4.473 1.00 43.22 C ATOM 90 NE2 HIS A 6 25.506 5.887 4.443 1.00 13.30 N ATOM 0 H HIS A 6 21.469 10.616 5.254 1.00 61.23 H new ATOM 0 HA HIS A 6 24.264 9.930 4.524 1.00 20.54 H new ATOM 0 HB2 HIS A 6 23.197 8.655 6.426 1.00 32.11 H new ATOM 0 HB3 HIS A 6 21.960 8.102 5.315 1.00 32.11 H new ATOM 0 HD2 HIS A 6 25.916 8.009 4.814 1.00 54.22 H new ATOM 0 HE1 HIS A 6 24.320 4.121 4.269 1.00 43.22 H new ATOM 0 HE2 HIS A 6 26.434 5.525 4.222 1.00 13.30 H new ATOM 99 N HIS A 7 21.473 9.506 2.806 1.00 32.15 N ATOM 100 CA HIS A 7 20.927 9.353 1.445 1.00 43.01 C ATOM 101 C HIS A 7 19.670 10.215 1.255 1.00 24.32 C ATOM 102 O HIS A 7 19.019 10.606 2.225 1.00 45.54 O ATOM 103 CB HIS A 7 20.580 7.884 1.141 1.00 72.20 C ATOM 104 CG HIS A 7 21.763 6.983 0.957 1.00 53.35 C ATOM 105 ND1 HIS A 7 21.855 5.738 1.543 1.00 52.11 N ATOM 106 CD2 HIS A 7 22.893 7.130 0.222 1.00 72.34 C ATOM 107 CE1 HIS A 7 22.983 5.164 1.185 1.00 24.55 C ATOM 108 NE2 HIS A 7 23.630 5.986 0.385 1.00 55.52 N ATOM 0 H HIS A 7 20.766 9.687 3.518 1.00 32.15 H new ATOM 0 HA HIS A 7 21.701 9.685 0.753 1.00 43.01 H new ATOM 0 HB2 HIS A 7 19.968 7.494 1.954 1.00 72.20 H new ATOM 0 HB3 HIS A 7 19.971 7.849 0.238 1.00 72.20 H new ATOM 0 HD2 HIS A 7 23.162 7.987 -0.378 1.00 72.34 H new ATOM 0 HE1 HIS A 7 23.321 4.186 1.494 1.00 24.55 H new ATOM 0 HE2 HIS A 7 24.536 5.801 -0.045 1.00 55.52 H new ATOM 117 N HIS A 8 19.320 10.494 -0.001 1.00 24.05 N ATOM 118 CA HIS A 8 18.099 11.249 -0.309 1.00 1.52 C ATOM 119 C HIS A 8 16.927 10.290 -0.594 1.00 33.05 C ATOM 120 O HIS A 8 16.880 9.635 -1.636 1.00 30.43 O ATOM 121 CB HIS A 8 18.331 12.217 -1.487 1.00 10.53 C ATOM 122 CG HIS A 8 18.842 11.577 -2.749 1.00 42.43 C ATOM 123 ND1 HIS A 8 20.185 11.375 -3.008 1.00 11.23 N ATOM 124 CD2 HIS A 8 18.184 11.111 -3.842 1.00 5.32 C ATOM 125 CE1 HIS A 8 20.328 10.820 -4.194 1.00 43.41 C ATOM 126 NE2 HIS A 8 19.135 10.649 -4.721 1.00 51.31 N ATOM 0 H HIS A 8 19.859 10.212 -0.819 1.00 24.05 H new ATOM 0 HA HIS A 8 17.838 11.849 0.563 1.00 1.52 H new ATOM 0 HB2 HIS A 8 17.392 12.725 -1.710 1.00 10.53 H new ATOM 0 HB3 HIS A 8 19.041 12.983 -1.173 1.00 10.53 H new ATOM 0 HD2 HIS A 8 17.115 11.105 -3.992 1.00 5.32 H new ATOM 0 HE1 HIS A 8 21.266 10.551 -4.656 1.00 43.41 H new ATOM 0 HE2 HIS A 8 18.946 10.239 -5.636 1.00 51.31 H new ATOM 135 N SER A 9 15.993 10.198 0.353 1.00 54.43 N ATOM 136 CA SER A 9 14.879 9.240 0.261 1.00 3.13 C ATOM 137 C SER A 9 13.740 9.746 -0.634 1.00 75.43 C ATOM 138 O SER A 9 13.659 10.933 -0.958 1.00 41.20 O ATOM 139 CB SER A 9 14.325 8.922 1.658 1.00 50.14 C ATOM 140 OG SER A 9 13.305 7.936 1.600 1.00 64.41 O ATOM 0 H SER A 9 15.981 10.773 1.195 1.00 54.43 H new ATOM 0 HA SER A 9 15.284 8.336 -0.193 1.00 3.13 H new ATOM 0 HB2 SER A 9 15.133 8.574 2.301 1.00 50.14 H new ATOM 0 HB3 SER A 9 13.928 9.832 2.109 1.00 50.14 H new ATOM 0 HG SER A 9 12.974 7.754 2.504 1.00 64.41 H new ATOM 146 N HIS A 10 12.851 8.829 -1.012 1.00 3.44 N ATOM 147 CA HIS A 10 11.718 9.149 -1.884 1.00 4.14 C ATOM 148 C HIS A 10 10.596 8.106 -1.745 1.00 13.43 C ATOM 149 O HIS A 10 10.819 7.004 -1.245 1.00 33.45 O ATOM 150 CB HIS A 10 12.174 9.247 -3.349 1.00 51.00 C ATOM 151 CG HIS A 10 12.821 7.998 -3.872 1.00 54.43 C ATOM 152 ND1 HIS A 10 12.141 7.039 -4.597 1.00 11.41 N ATOM 153 CD2 HIS A 10 14.097 7.555 -3.778 1.00 35.03 C ATOM 154 CE1 HIS A 10 12.969 6.068 -4.921 1.00 52.53 C ATOM 155 NE2 HIS A 10 14.158 6.354 -4.439 1.00 42.02 N ATOM 0 H HIS A 10 12.893 7.851 -0.726 1.00 3.44 H new ATOM 0 HA HIS A 10 11.323 10.116 -1.574 1.00 4.14 H new ATOM 0 HB2 HIS A 10 11.312 9.485 -3.972 1.00 51.00 H new ATOM 0 HB3 HIS A 10 12.876 10.075 -3.446 1.00 51.00 H new ATOM 0 HD1 HIS A 10 11.152 7.077 -4.843 1.00 11.41 H new ATOM 0 HD2 HIS A 10 14.914 8.053 -3.277 1.00 35.03 H new ATOM 0 HE1 HIS A 10 12.714 5.185 -5.488 1.00 52.53 H new ATOM 164 N MET A 11 9.395 8.463 -2.198 1.00 15.42 N ATOM 165 CA MET A 11 8.223 7.576 -2.113 1.00 3.43 C ATOM 166 C MET A 11 8.383 6.275 -2.936 1.00 21.24 C ATOM 167 O MET A 11 9.227 6.183 -3.836 1.00 72.21 O ATOM 168 CB MET A 11 6.968 8.336 -2.573 1.00 21.34 C ATOM 169 CG MET A 11 7.075 8.888 -3.989 1.00 43.14 C ATOM 170 SD MET A 11 5.569 9.710 -4.544 1.00 40.40 S ATOM 171 CE MET A 11 6.045 10.185 -6.207 1.00 41.12 C ATOM 0 H MET A 11 9.202 9.366 -2.632 1.00 15.42 H new ATOM 0 HA MET A 11 8.125 7.275 -1.070 1.00 3.43 H new ATOM 0 HB2 MET A 11 6.108 7.669 -2.516 1.00 21.34 H new ATOM 0 HB3 MET A 11 6.779 9.159 -1.884 1.00 21.34 H new ATOM 0 HG2 MET A 11 7.905 9.593 -4.036 1.00 43.14 H new ATOM 0 HG3 MET A 11 7.310 8.073 -4.673 1.00 43.14 H new ATOM 0 HE1 MET A 11 5.351 10.937 -6.583 1.00 41.12 H new ATOM 0 HE2 MET A 11 7.054 10.597 -6.193 1.00 41.12 H new ATOM 0 HE3 MET A 11 6.019 9.310 -6.857 1.00 41.12 H new ATOM 181 N VAL A 12 7.547 5.282 -2.616 1.00 30.34 N ATOM 182 CA VAL A 12 7.533 3.977 -3.298 1.00 35.33 C ATOM 183 C VAL A 12 6.081 3.493 -3.476 1.00 22.20 C ATOM 184 O VAL A 12 5.260 3.658 -2.582 1.00 2.12 O ATOM 185 CB VAL A 12 8.343 2.915 -2.497 1.00 45.33 C ATOM 186 CG1 VAL A 12 8.189 1.521 -3.098 1.00 1.40 C ATOM 187 CG2 VAL A 12 9.820 3.301 -2.416 1.00 72.41 C ATOM 0 H VAL A 12 6.854 5.359 -1.871 1.00 30.34 H new ATOM 0 HA VAL A 12 8.001 4.101 -4.275 1.00 35.33 H new ATOM 0 HB VAL A 12 7.935 2.890 -1.486 1.00 45.33 H new ATOM 0 HG11 VAL A 12 8.768 0.807 -2.513 1.00 1.40 H new ATOM 0 HG12 VAL A 12 7.138 1.233 -3.085 1.00 1.40 H new ATOM 0 HG13 VAL A 12 8.551 1.526 -4.126 1.00 1.40 H new ATOM 0 HG21 VAL A 12 10.364 2.543 -1.852 1.00 72.41 H new ATOM 0 HG22 VAL A 12 10.234 3.370 -3.422 1.00 72.41 H new ATOM 0 HG23 VAL A 12 9.917 4.265 -1.916 1.00 72.41 H new ATOM 197 N VAL A 13 5.753 2.899 -4.620 1.00 24.32 N ATOM 198 CA VAL A 13 4.355 2.543 -4.910 1.00 44.43 C ATOM 199 C VAL A 13 4.107 1.024 -4.887 1.00 60.01 C ATOM 200 O VAL A 13 4.963 0.228 -5.280 1.00 54.44 O ATOM 201 CB VAL A 13 3.897 3.124 -6.273 1.00 1.24 C ATOM 202 CG1 VAL A 13 4.046 4.645 -6.287 1.00 11.45 C ATOM 203 CG2 VAL A 13 4.670 2.499 -7.432 1.00 52.13 C ATOM 0 H VAL A 13 6.418 2.655 -5.354 1.00 24.32 H new ATOM 0 HA VAL A 13 3.763 2.987 -4.110 1.00 44.43 H new ATOM 0 HB VAL A 13 2.843 2.876 -6.403 1.00 1.24 H new ATOM 0 HG11 VAL A 13 3.720 5.034 -7.252 1.00 11.45 H new ATOM 0 HG12 VAL A 13 3.434 5.078 -5.496 1.00 11.45 H new ATOM 0 HG13 VAL A 13 5.091 4.910 -6.124 1.00 11.45 H new ATOM 0 HG21 VAL A 13 4.325 2.928 -8.373 1.00 52.13 H new ATOM 0 HG22 VAL A 13 5.734 2.700 -7.310 1.00 52.13 H new ATOM 0 HG23 VAL A 13 4.503 1.422 -7.442 1.00 52.13 H new ATOM 213 N ILE A 14 2.917 0.638 -4.423 1.00 41.03 N ATOM 214 CA ILE A 14 2.505 -0.769 -4.374 1.00 3.43 C ATOM 215 C ILE A 14 1.583 -1.101 -5.567 1.00 71.21 C ATOM 216 O ILE A 14 0.692 -0.323 -5.914 1.00 32.55 O ATOM 217 CB ILE A 14 1.786 -1.083 -3.031 1.00 53.01 C ATOM 218 CG1 ILE A 14 1.421 -2.576 -2.922 1.00 31.50 C ATOM 219 CG2 ILE A 14 0.544 -0.209 -2.854 1.00 11.41 C ATOM 220 CD1 ILE A 14 2.612 -3.492 -2.721 1.00 3.13 C ATOM 0 H ILE A 14 2.213 1.288 -4.072 1.00 41.03 H new ATOM 0 HA ILE A 14 3.398 -1.391 -4.440 1.00 3.43 H new ATOM 0 HB ILE A 14 2.484 -0.851 -2.226 1.00 53.01 H new ATOM 0 HG12 ILE A 14 0.729 -2.710 -2.091 1.00 31.50 H new ATOM 0 HG13 ILE A 14 0.894 -2.877 -3.827 1.00 31.50 H new ATOM 0 HG21 ILE A 14 0.061 -0.450 -1.907 1.00 11.41 H new ATOM 0 HG22 ILE A 14 0.835 0.841 -2.856 1.00 11.41 H new ATOM 0 HG23 ILE A 14 -0.151 -0.394 -3.673 1.00 11.41 H new ATOM 0 HD11 ILE A 14 2.270 -4.525 -2.654 1.00 3.13 H new ATOM 0 HD12 ILE A 14 3.296 -3.390 -3.564 1.00 3.13 H new ATOM 0 HD13 ILE A 14 3.128 -3.221 -1.800 1.00 3.13 H new ATOM 232 N ARG A 15 1.810 -2.249 -6.198 1.00 55.22 N ATOM 233 CA ARG A 15 1.082 -2.628 -7.419 1.00 70.21 C ATOM 234 C ARG A 15 0.179 -3.852 -7.206 1.00 64.40 C ATOM 235 O ARG A 15 0.327 -4.582 -6.225 1.00 11.21 O ATOM 236 CB ARG A 15 2.080 -2.937 -8.545 1.00 45.14 C ATOM 237 CG ARG A 15 2.960 -1.759 -8.953 1.00 70.35 C ATOM 238 CD ARG A 15 2.132 -0.596 -9.493 1.00 62.41 C ATOM 239 NE ARG A 15 2.967 0.413 -10.134 1.00 2.30 N ATOM 240 CZ ARG A 15 2.507 1.446 -10.783 1.00 72.21 C ATOM 241 NH1 ARG A 15 1.232 1.665 -10.860 1.00 55.50 N ATOM 242 NH2 ARG A 15 3.326 2.264 -11.361 1.00 2.31 N ATOM 0 H ARG A 15 2.494 -2.940 -5.888 1.00 55.22 H new ATOM 0 HA ARG A 15 0.447 -1.784 -7.688 1.00 70.21 H new ATOM 0 HB2 ARG A 15 2.721 -3.760 -8.229 1.00 45.14 H new ATOM 0 HB3 ARG A 15 1.527 -3.281 -9.419 1.00 45.14 H new ATOM 0 HG2 ARG A 15 3.541 -1.424 -8.094 1.00 70.35 H new ATOM 0 HG3 ARG A 15 3.672 -2.082 -9.712 1.00 70.35 H new ATOM 0 HD2 ARG A 15 1.402 -0.972 -10.210 1.00 62.41 H new ATOM 0 HD3 ARG A 15 1.572 -0.139 -8.677 1.00 62.41 H new ATOM 0 HE ARG A 15 3.979 0.303 -10.070 1.00 2.30 H new ATOM 0 HH11 ARG A 15 0.577 1.026 -10.410 1.00 55.50 H new ATOM 0 HH12 ARG A 15 0.884 2.477 -11.371 1.00 55.50 H new ATOM 0 HH21 ARG A 15 4.331 2.101 -11.309 1.00 2.31 H new ATOM 0 HH22 ARG A 15 2.966 3.072 -11.869 1.00 2.31 H new ATOM 256 N ARG A 16 -0.748 -4.066 -8.154 1.00 62.12 N ATOM 257 CA ARG A 16 -1.597 -5.271 -8.189 1.00 44.11 C ATOM 258 C ARG A 16 -2.650 -5.301 -7.061 1.00 45.21 C ATOM 259 O ARG A 16 -2.859 -6.334 -6.423 1.00 51.42 O ATOM 260 CB ARG A 16 -0.710 -6.529 -8.141 1.00 53.14 C ATOM 261 CG ARG A 16 0.275 -6.622 -9.308 1.00 5.43 C ATOM 262 CD ARG A 16 -0.369 -7.211 -10.561 1.00 53.41 C ATOM 263 NE ARG A 16 -0.449 -8.670 -10.487 1.00 1.31 N ATOM 264 CZ ARG A 16 -1.326 -9.400 -11.120 1.00 13.12 C ATOM 265 NH1 ARG A 16 -2.243 -8.852 -11.848 1.00 22.14 N ATOM 266 NH2 ARG A 16 -1.279 -10.687 -11.021 1.00 70.43 N ATOM 0 H ARG A 16 -0.931 -3.412 -8.915 1.00 62.12 H new ATOM 0 HA ARG A 16 -2.156 -5.248 -9.124 1.00 44.11 H new ATOM 0 HB2 ARG A 16 -0.153 -6.537 -7.204 1.00 53.14 H new ATOM 0 HB3 ARG A 16 -1.347 -7.414 -8.141 1.00 53.14 H new ATOM 0 HG2 ARG A 16 0.663 -5.629 -9.534 1.00 5.43 H new ATOM 0 HG3 ARG A 16 1.126 -7.238 -9.015 1.00 5.43 H new ATOM 0 HD2 ARG A 16 -1.369 -6.797 -10.686 1.00 53.41 H new ATOM 0 HD3 ARG A 16 0.209 -6.921 -11.439 1.00 53.41 H new ATOM 0 HE ARG A 16 0.230 -9.152 -9.898 1.00 1.31 H new ATOM 0 HH11 ARG A 16 -2.287 -7.837 -11.933 1.00 22.14 H new ATOM 0 HH12 ARG A 16 -2.922 -9.435 -12.337 1.00 22.14 H new ATOM 0 HH21 ARG A 16 -0.558 -11.129 -10.450 1.00 70.43 H new ATOM 0 HH22 ARG A 16 -1.962 -11.262 -11.514 1.00 70.43 H new ATOM 280 N LEU A 17 -3.335 -4.174 -6.845 1.00 72.01 N ATOM 281 CA LEU A 17 -4.425 -4.101 -5.854 1.00 2.42 C ATOM 282 C LEU A 17 -5.815 -4.057 -6.527 1.00 1.14 C ATOM 283 O LEU A 17 -6.285 -2.992 -6.936 1.00 52.44 O ATOM 284 CB LEU A 17 -4.266 -2.869 -4.940 1.00 53.11 C ATOM 285 CG LEU A 17 -3.189 -2.962 -3.841 1.00 22.33 C ATOM 286 CD1 LEU A 17 -3.409 -4.195 -2.966 1.00 51.40 C ATOM 287 CD2 LEU A 17 -1.787 -2.963 -4.440 1.00 42.43 C ATOM 0 H LEU A 17 -3.158 -3.299 -7.339 1.00 72.01 H new ATOM 0 HA LEU A 17 -4.358 -5.008 -5.254 1.00 2.42 H new ATOM 0 HB2 LEU A 17 -4.040 -2.006 -5.567 1.00 53.11 H new ATOM 0 HB3 LEU A 17 -5.226 -2.673 -4.462 1.00 53.11 H new ATOM 0 HG LEU A 17 -3.280 -2.078 -3.210 1.00 22.33 H new ATOM 0 HD11 LEU A 17 -2.637 -4.239 -2.198 1.00 51.40 H new ATOM 0 HD12 LEU A 17 -4.389 -4.135 -2.492 1.00 51.40 H new ATOM 0 HD13 LEU A 17 -3.359 -5.092 -3.583 1.00 51.40 H new ATOM 0 HD21 LEU A 17 -1.050 -3.029 -3.640 1.00 42.43 H new ATOM 0 HD22 LEU A 17 -1.677 -3.818 -5.107 1.00 42.43 H new ATOM 0 HD23 LEU A 17 -1.631 -2.042 -5.002 1.00 42.43 H new ATOM 299 N PRO A 18 -6.483 -5.218 -6.671 1.00 23.21 N ATOM 300 CA PRO A 18 -7.875 -5.284 -7.149 1.00 5.41 C ATOM 301 C PRO A 18 -8.898 -5.023 -6.019 1.00 12.43 C ATOM 302 O PRO A 18 -8.546 -5.046 -4.837 1.00 44.22 O ATOM 303 CB PRO A 18 -7.977 -6.726 -7.661 1.00 23.32 C ATOM 304 CG PRO A 18 -7.063 -7.499 -6.770 1.00 1.23 C ATOM 305 CD PRO A 18 -5.931 -6.563 -6.409 1.00 23.54 C ATOM 0 HA PRO A 18 -8.101 -4.527 -7.900 1.00 5.41 H new ATOM 0 HB2 PRO A 18 -9.000 -7.098 -7.601 1.00 23.32 H new ATOM 0 HB3 PRO A 18 -7.672 -6.800 -8.705 1.00 23.32 H new ATOM 0 HG2 PRO A 18 -7.587 -7.839 -5.876 1.00 1.23 H new ATOM 0 HG3 PRO A 18 -6.686 -8.388 -7.276 1.00 1.23 H new ATOM 0 HD2 PRO A 18 -5.636 -6.677 -5.366 1.00 23.54 H new ATOM 0 HD3 PRO A 18 -5.045 -6.756 -7.014 1.00 23.54 H new ATOM 313 N PRO A 19 -10.179 -4.759 -6.364 1.00 31.33 N ATOM 314 CA PRO A 19 -11.243 -4.533 -5.361 1.00 62.01 C ATOM 315 C PRO A 19 -11.423 -5.722 -4.396 1.00 23.21 C ATOM 316 O PRO A 19 -11.707 -6.845 -4.821 1.00 44.45 O ATOM 317 CB PRO A 19 -12.508 -4.331 -6.217 1.00 34.24 C ATOM 318 CG PRO A 19 -11.999 -3.918 -7.559 1.00 70.30 C ATOM 319 CD PRO A 19 -10.695 -4.645 -7.742 1.00 1.41 C ATOM 0 HA PRO A 19 -11.010 -3.688 -4.713 1.00 62.01 H new ATOM 0 HB2 PRO A 19 -13.093 -5.249 -6.281 1.00 34.24 H new ATOM 0 HB3 PRO A 19 -13.158 -3.568 -5.788 1.00 34.24 H new ATOM 0 HG2 PRO A 19 -12.707 -4.181 -8.344 1.00 70.30 H new ATOM 0 HG3 PRO A 19 -11.856 -2.839 -7.608 1.00 70.30 H new ATOM 0 HD2 PRO A 19 -10.840 -5.623 -8.200 1.00 1.41 H new ATOM 0 HD3 PRO A 19 -10.011 -4.090 -8.384 1.00 1.41 H new ATOM 327 N GLY A 20 -11.256 -5.467 -3.099 1.00 32.31 N ATOM 328 CA GLY A 20 -11.399 -6.520 -2.100 1.00 71.33 C ATOM 329 C GLY A 20 -11.670 -5.981 -0.699 1.00 60.22 C ATOM 330 O GLY A 20 -12.662 -5.286 -0.472 1.00 52.31 O ATOM 0 H GLY A 20 -11.024 -4.549 -2.720 1.00 32.31 H new ATOM 0 HA2 GLY A 20 -12.214 -7.182 -2.392 1.00 71.33 H new ATOM 0 HA3 GLY A 20 -10.490 -7.122 -2.082 1.00 71.33 H new ATOM 334 N LEU A 21 -10.800 -6.321 0.250 1.00 60.21 N ATOM 335 CA LEU A 21 -10.916 -5.805 1.618 1.00 70.23 C ATOM 336 C LEU A 21 -10.702 -4.281 1.674 1.00 62.22 C ATOM 337 O LEU A 21 -10.066 -3.688 0.800 1.00 35.45 O ATOM 338 CB LEU A 21 -9.932 -6.515 2.571 1.00 11.02 C ATOM 339 CG LEU A 21 -8.431 -6.220 2.374 1.00 21.31 C ATOM 340 CD1 LEU A 21 -7.617 -6.861 3.492 1.00 50.22 C ATOM 341 CD2 LEU A 21 -7.930 -6.705 1.015 1.00 33.12 C ATOM 0 H LEU A 21 -10.010 -6.948 0.101 1.00 60.21 H new ATOM 0 HA LEU A 21 -11.933 -6.016 1.949 1.00 70.23 H new ATOM 0 HB2 LEU A 21 -10.198 -6.248 3.594 1.00 11.02 H new ATOM 0 HB3 LEU A 21 -10.082 -7.590 2.473 1.00 11.02 H new ATOM 0 HG LEU A 21 -8.302 -5.138 2.407 1.00 21.31 H new ATOM 0 HD11 LEU A 21 -6.559 -6.645 3.341 1.00 50.22 H new ATOM 0 HD12 LEU A 21 -7.937 -6.457 4.453 1.00 50.22 H new ATOM 0 HD13 LEU A 21 -7.772 -7.940 3.483 1.00 50.22 H new ATOM 0 HD21 LEU A 21 -6.868 -6.478 0.916 1.00 33.12 H new ATOM 0 HD22 LEU A 21 -8.080 -7.782 0.935 1.00 33.12 H new ATOM 0 HD23 LEU A 21 -8.484 -6.202 0.222 1.00 33.12 H new ATOM 353 N THR A 22 -11.231 -3.656 2.718 1.00 32.33 N ATOM 354 CA THR A 22 -11.170 -2.197 2.871 1.00 71.12 C ATOM 355 C THR A 22 -9.822 -1.748 3.453 1.00 65.23 C ATOM 356 O THR A 22 -9.182 -2.491 4.202 1.00 20.33 O ATOM 357 CB THR A 22 -12.321 -1.689 3.778 1.00 43.31 C ATOM 358 OG1 THR A 22 -13.590 -2.078 3.226 1.00 63.22 O ATOM 359 CG2 THR A 22 -12.292 -0.170 3.941 1.00 72.43 C ATOM 0 H THR A 22 -11.712 -4.135 3.479 1.00 32.33 H new ATOM 0 HA THR A 22 -11.279 -1.765 1.876 1.00 71.12 H new ATOM 0 HB THR A 22 -12.182 -2.140 4.760 1.00 43.31 H new ATOM 0 HG1 THR A 22 -13.528 -2.102 2.248 1.00 63.22 H new ATOM 0 HG21 THR A 22 -13.115 0.143 4.583 1.00 72.43 H new ATOM 0 HG22 THR A 22 -11.346 0.130 4.392 1.00 72.43 H new ATOM 0 HG23 THR A 22 -12.394 0.303 2.964 1.00 72.43 H new ATOM 367 N LYS A 23 -9.406 -0.519 3.112 1.00 52.35 N ATOM 368 CA LYS A 23 -8.122 0.053 3.562 1.00 0.52 C ATOM 369 C LYS A 23 -7.791 -0.283 5.028 1.00 53.25 C ATOM 370 O LYS A 23 -6.636 -0.518 5.367 1.00 74.10 O ATOM 371 CB LYS A 23 -8.130 1.578 3.389 1.00 5.44 C ATOM 372 CG LYS A 23 -9.255 2.286 4.146 1.00 34.10 C ATOM 373 CD LYS A 23 -9.016 3.793 4.255 1.00 44.13 C ATOM 374 CE LYS A 23 -7.774 4.100 5.084 1.00 23.13 C ATOM 375 NZ LYS A 23 -7.586 5.558 5.294 1.00 32.11 N ATOM 0 H LYS A 23 -9.948 0.108 2.517 1.00 52.35 H new ATOM 0 HA LYS A 23 -7.351 -0.400 2.938 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -7.173 1.976 3.726 1.00 5.44 H new ATOM 0 HB3 LYS A 23 -8.217 1.812 2.328 1.00 5.44 H new ATOM 0 HG2 LYS A 23 -10.202 2.106 3.638 1.00 34.10 H new ATOM 0 HG3 LYS A 23 -9.343 1.860 5.146 1.00 34.10 H new ATOM 0 HD2 LYS A 23 -8.904 4.218 3.258 1.00 44.13 H new ATOM 0 HD3 LYS A 23 -9.885 4.269 4.709 1.00 44.13 H new ATOM 0 HE2 LYS A 23 -7.852 3.603 6.051 1.00 23.13 H new ATOM 0 HE3 LYS A 23 -6.896 3.690 4.585 1.00 23.13 H new ATOM 0 HZ1 LYS A 23 -6.730 5.719 5.862 1.00 32.11 H new ATOM 0 HZ2 LYS A 23 -7.485 6.031 4.373 1.00 32.11 H new ATOM 0 HZ3 LYS A 23 -8.411 5.946 5.794 1.00 32.11 H new ATOM 389 N GLU A 24 -8.811 -0.319 5.879 1.00 53.24 N ATOM 390 CA GLU A 24 -8.636 -0.598 7.312 1.00 55.34 C ATOM 391 C GLU A 24 -7.778 -1.855 7.559 1.00 21.43 C ATOM 392 O GLU A 24 -6.822 -1.823 8.332 1.00 61.12 O ATOM 393 CB GLU A 24 -10.011 -0.769 7.965 1.00 24.43 C ATOM 394 CG GLU A 24 -10.955 0.398 7.701 1.00 31.31 C ATOM 395 CD GLU A 24 -12.366 0.130 8.188 1.00 71.13 C ATOM 396 OE1 GLU A 24 -13.046 -0.730 7.591 1.00 31.33 O ATOM 397 OE2 GLU A 24 -12.804 0.774 9.165 1.00 24.43 O ATOM 0 H GLU A 24 -9.780 -0.157 5.603 1.00 53.24 H new ATOM 0 HA GLU A 24 -8.109 0.246 7.756 1.00 55.34 H new ATOM 0 HB2 GLU A 24 -10.468 -1.687 7.597 1.00 24.43 H new ATOM 0 HB3 GLU A 24 -9.882 -0.886 9.041 1.00 24.43 H new ATOM 0 HG2 GLU A 24 -10.569 1.291 8.192 1.00 31.31 H new ATOM 0 HG3 GLU A 24 -10.978 0.607 6.632 1.00 31.31 H new ATOM 404 N GLN A 25 -8.120 -2.952 6.884 1.00 42.02 N ATOM 405 CA GLN A 25 -7.375 -4.220 7.013 1.00 50.53 C ATOM 406 C GLN A 25 -6.411 -4.417 5.830 1.00 51.33 C ATOM 407 O GLN A 25 -5.722 -5.430 5.732 1.00 13.05 O ATOM 408 CB GLN A 25 -8.362 -5.396 7.069 1.00 31.54 C ATOM 409 CG GLN A 25 -9.435 -5.255 8.145 1.00 33.14 C ATOM 410 CD GLN A 25 -10.460 -6.375 8.100 1.00 72.15 C ATOM 411 OE1 GLN A 25 -10.303 -7.407 8.741 1.00 13.23 O ATOM 412 NE2 GLN A 25 -11.516 -6.183 7.335 1.00 63.11 N ATOM 0 H GLN A 25 -8.909 -2.996 6.239 1.00 42.02 H new ATOM 0 HA GLN A 25 -6.791 -4.181 7.933 1.00 50.53 H new ATOM 0 HB2 GLN A 25 -8.847 -5.497 6.098 1.00 31.54 H new ATOM 0 HB3 GLN A 25 -7.805 -6.316 7.244 1.00 31.54 H new ATOM 0 HG2 GLN A 25 -8.960 -5.241 9.126 1.00 33.14 H new ATOM 0 HG3 GLN A 25 -9.943 -4.298 8.023 1.00 33.14 H new ATOM 0 HE21 GLN A 25 -11.617 -5.312 6.814 1.00 63.11 H new ATOM 0 HE22 GLN A 25 -12.233 -6.905 7.264 1.00 63.11 H new ATOM 421 N LEU A 26 -6.379 -3.438 4.936 1.00 40.24 N ATOM 422 CA LEU A 26 -5.570 -3.508 3.715 1.00 60.30 C ATOM 423 C LEU A 26 -4.261 -2.702 3.840 1.00 50.33 C ATOM 424 O LEU A 26 -3.259 -3.025 3.200 1.00 65.44 O ATOM 425 CB LEU A 26 -6.419 -3.022 2.525 1.00 43.21 C ATOM 426 CG LEU A 26 -5.664 -2.717 1.220 1.00 11.13 C ATOM 427 CD1 LEU A 26 -5.066 -3.991 0.625 1.00 61.01 C ATOM 428 CD2 LEU A 26 -6.588 -2.023 0.217 1.00 61.51 C ATOM 0 H LEU A 26 -6.910 -2.572 5.031 1.00 40.24 H new ATOM 0 HA LEU A 26 -5.273 -4.544 3.550 1.00 60.30 H new ATOM 0 HB2 LEU A 26 -7.174 -3.779 2.313 1.00 43.21 H new ATOM 0 HB3 LEU A 26 -6.949 -2.120 2.831 1.00 43.21 H new ATOM 0 HG LEU A 26 -4.841 -2.040 1.450 1.00 11.13 H new ATOM 0 HD11 LEU A 26 -4.537 -3.749 -0.297 1.00 61.01 H new ATOM 0 HD12 LEU A 26 -4.369 -4.433 1.337 1.00 61.01 H new ATOM 0 HD13 LEU A 26 -5.864 -4.701 0.410 1.00 61.01 H new ATOM 0 HD21 LEU A 26 -6.038 -1.814 -0.701 1.00 61.51 H new ATOM 0 HD22 LEU A 26 -7.435 -2.672 -0.007 1.00 61.51 H new ATOM 0 HD23 LEU A 26 -6.951 -1.088 0.643 1.00 61.51 H new ATOM 440 N GLU A 27 -4.261 -1.670 4.676 1.00 35.32 N ATOM 441 CA GLU A 27 -3.074 -0.822 4.852 1.00 33.14 C ATOM 442 C GLU A 27 -2.060 -1.452 5.820 1.00 0.25 C ATOM 443 O GLU A 27 -0.850 -1.278 5.668 1.00 50.14 O ATOM 444 CB GLU A 27 -3.480 0.570 5.363 1.00 64.41 C ATOM 445 CG GLU A 27 -4.084 0.571 6.765 1.00 43.22 C ATOM 446 CD GLU A 27 -4.384 1.974 7.277 1.00 54.12 C ATOM 447 OE1 GLU A 27 -3.487 2.588 7.895 1.00 73.25 O ATOM 448 OE2 GLU A 27 -5.508 2.470 7.062 1.00 23.43 O ATOM 0 H GLU A 27 -5.063 -1.396 5.243 1.00 35.32 H new ATOM 0 HA GLU A 27 -2.597 -0.728 3.877 1.00 33.14 H new ATOM 0 HB2 GLU A 27 -2.603 1.217 5.357 1.00 64.41 H new ATOM 0 HB3 GLU A 27 -4.200 1.003 4.669 1.00 64.41 H new ATOM 0 HG2 GLU A 27 -5.004 -0.013 6.760 1.00 43.22 H new ATOM 0 HG3 GLU A 27 -3.397 0.078 7.452 1.00 43.22 H new ATOM 455 N GLU A 28 -2.563 -2.198 6.804 1.00 42.52 N ATOM 456 CA GLU A 28 -1.725 -2.773 7.865 1.00 12.40 C ATOM 457 C GLU A 28 -0.552 -3.609 7.316 1.00 40.42 C ATOM 458 O GLU A 28 0.518 -3.658 7.927 1.00 43.41 O ATOM 459 CB GLU A 28 -2.588 -3.615 8.821 1.00 0.33 C ATOM 460 CG GLU A 28 -3.437 -4.678 8.134 1.00 1.34 C ATOM 461 CD GLU A 28 -4.191 -5.555 9.122 1.00 3.22 C ATOM 462 OE1 GLU A 28 -5.062 -5.029 9.846 1.00 1.44 O ATOM 463 OE2 GLU A 28 -3.919 -6.774 9.180 1.00 50.13 O ATOM 0 H GLU A 28 -3.554 -2.421 6.891 1.00 42.52 H new ATOM 0 HA GLU A 28 -1.283 -1.939 8.411 1.00 12.40 H new ATOM 0 HB2 GLU A 28 -1.936 -4.102 9.546 1.00 0.33 H new ATOM 0 HB3 GLU A 28 -3.245 -2.948 9.380 1.00 0.33 H new ATOM 0 HG2 GLU A 28 -4.150 -4.193 7.467 1.00 1.34 H new ATOM 0 HG3 GLU A 28 -2.796 -5.304 7.514 1.00 1.34 H new ATOM 470 N GLN A 29 -0.749 -4.253 6.165 1.00 65.13 N ATOM 471 CA GLN A 29 0.313 -5.055 5.534 1.00 5.25 C ATOM 472 C GLN A 29 1.102 -4.241 4.494 1.00 11.12 C ATOM 473 O GLN A 29 2.193 -4.637 4.088 1.00 64.32 O ATOM 474 CB GLN A 29 -0.255 -6.328 4.866 1.00 15.43 C ATOM 475 CG GLN A 29 -1.245 -6.077 3.721 1.00 15.24 C ATOM 476 CD GLN A 29 -2.679 -5.894 4.193 1.00 13.11 C ATOM 477 OE1 GLN A 29 -2.930 -5.431 5.293 1.00 53.41 O ATOM 478 NE2 GLN A 29 -3.632 -6.265 3.367 1.00 42.23 N ATOM 0 H GLN A 29 -1.628 -4.239 5.648 1.00 65.13 H new ATOM 0 HA GLN A 29 0.991 -5.350 6.335 1.00 5.25 H new ATOM 0 HB2 GLN A 29 0.576 -6.920 4.483 1.00 15.43 H new ATOM 0 HB3 GLN A 29 -0.750 -6.929 5.628 1.00 15.43 H new ATOM 0 HG2 GLN A 29 -0.935 -5.189 3.171 1.00 15.24 H new ATOM 0 HG3 GLN A 29 -1.203 -6.914 3.024 1.00 15.24 H new ATOM 0 HE21 GLN A 29 -3.393 -6.649 2.453 1.00 42.23 H new ATOM 0 HE22 GLN A 29 -4.610 -6.169 3.640 1.00 42.23 H new ATOM 487 N LEU A 30 0.549 -3.106 4.065 1.00 50.22 N ATOM 488 CA LEU A 30 1.188 -2.273 3.034 1.00 23.22 C ATOM 489 C LEU A 30 2.067 -1.158 3.633 1.00 42.30 C ATOM 490 O LEU A 30 2.936 -0.617 2.953 1.00 34.54 O ATOM 491 CB LEU A 30 0.124 -1.661 2.109 1.00 2.21 C ATOM 492 CG LEU A 30 -0.729 -2.672 1.320 1.00 64.32 C ATOM 493 CD1 LEU A 30 -1.724 -1.953 0.411 1.00 64.23 C ATOM 494 CD2 LEU A 30 0.160 -3.617 0.512 1.00 52.23 C ATOM 0 H LEU A 30 -0.337 -2.739 4.412 1.00 50.22 H new ATOM 0 HA LEU A 30 1.843 -2.928 2.460 1.00 23.22 H new ATOM 0 HB2 LEU A 30 -0.542 -1.041 2.710 1.00 2.21 H new ATOM 0 HB3 LEU A 30 0.621 -1.000 1.399 1.00 2.21 H new ATOM 0 HG LEU A 30 -1.296 -3.268 2.036 1.00 64.32 H new ATOM 0 HD11 LEU A 30 -2.315 -2.688 -0.136 1.00 64.23 H new ATOM 0 HD12 LEU A 30 -2.386 -1.332 1.015 1.00 64.23 H new ATOM 0 HD13 LEU A 30 -1.182 -1.325 -0.296 1.00 64.23 H new ATOM 0 HD21 LEU A 30 -0.464 -4.322 -0.037 1.00 52.23 H new ATOM 0 HD22 LEU A 30 0.760 -3.040 -0.191 1.00 52.23 H new ATOM 0 HD23 LEU A 30 0.818 -4.164 1.187 1.00 52.23 H new ATOM 506 N ARG A 31 1.845 -0.804 4.904 1.00 63.12 N ATOM 507 CA ARG A 31 2.642 0.257 5.548 1.00 12.22 C ATOM 508 C ARG A 31 3.178 -0.116 6.962 1.00 61.24 C ATOM 509 O ARG A 31 3.248 0.747 7.842 1.00 10.11 O ATOM 510 CB ARG A 31 1.819 1.564 5.591 1.00 13.33 C ATOM 511 CG ARG A 31 0.420 1.456 6.220 1.00 64.25 C ATOM 512 CD ARG A 31 0.462 1.391 7.745 1.00 51.21 C ATOM 513 NE ARG A 31 -0.862 1.499 8.352 1.00 73.41 N ATOM 514 CZ ARG A 31 -1.131 1.156 9.584 1.00 1.45 C ATOM 515 NH1 ARG A 31 -0.215 0.635 10.339 1.00 13.31 N ATOM 516 NH2 ARG A 31 -2.321 1.331 10.049 1.00 10.30 N ATOM 0 H ARG A 31 1.134 -1.225 5.502 1.00 63.12 H new ATOM 0 HA ARG A 31 3.534 0.395 4.937 1.00 12.22 H new ATOM 0 HB2 ARG A 31 2.388 2.311 6.144 1.00 13.33 H new ATOM 0 HB3 ARG A 31 1.710 1.936 4.572 1.00 13.33 H new ATOM 0 HG2 ARG A 31 -0.179 2.314 5.914 1.00 64.25 H new ATOM 0 HG3 ARG A 31 -0.079 0.566 5.836 1.00 64.25 H new ATOM 0 HD2 ARG A 31 0.922 0.452 8.052 1.00 51.21 H new ATOM 0 HD3 ARG A 31 1.096 2.194 8.121 1.00 51.21 H new ATOM 0 HE ARG A 31 -1.623 1.864 7.779 1.00 73.41 H new ATOM 0 HH11 ARG A 31 0.726 0.489 9.973 1.00 13.31 H new ATOM 0 HH12 ARG A 31 -0.435 0.371 11.299 1.00 13.31 H new ATOM 0 HH21 ARG A 31 -3.046 1.735 9.456 1.00 10.30 H new ATOM 0 HH22 ARG A 31 -2.537 1.065 11.010 1.00 10.30 H new ATOM 530 N PRO A 32 3.654 -1.366 7.190 1.00 35.11 N ATOM 531 CA PRO A 32 4.140 -1.797 8.518 1.00 4.34 C ATOM 532 C PRO A 32 5.585 -1.335 8.812 1.00 61.42 C ATOM 533 O PRO A 32 6.361 -2.040 9.458 1.00 15.33 O ATOM 534 CB PRO A 32 4.069 -3.324 8.406 1.00 4.10 C ATOM 535 CG PRO A 32 4.376 -3.599 6.973 1.00 25.10 C ATOM 536 CD PRO A 32 3.780 -2.453 6.190 1.00 62.00 C ATOM 0 HA PRO A 32 3.555 -1.373 9.334 1.00 4.34 H new ATOM 0 HB2 PRO A 32 4.789 -3.806 9.067 1.00 4.10 H new ATOM 0 HB3 PRO A 32 3.083 -3.698 8.681 1.00 4.10 H new ATOM 0 HG2 PRO A 32 5.452 -3.664 6.810 1.00 25.10 H new ATOM 0 HG3 PRO A 32 3.948 -4.551 6.658 1.00 25.10 H new ATOM 0 HD2 PRO A 32 4.422 -2.160 5.360 1.00 62.00 H new ATOM 0 HD3 PRO A 32 2.812 -2.720 5.766 1.00 62.00 H new ATOM 544 N LEU A 33 5.932 -0.132 8.354 1.00 24.42 N ATOM 545 CA LEU A 33 7.295 0.404 8.502 1.00 2.50 C ATOM 546 C LEU A 33 7.412 1.343 9.719 1.00 72.33 C ATOM 547 O LEU A 33 6.408 1.881 10.192 1.00 23.44 O ATOM 548 CB LEU A 33 7.711 1.171 7.234 1.00 3.41 C ATOM 549 CG LEU A 33 7.822 0.346 5.941 1.00 33.33 C ATOM 550 CD1 LEU A 33 6.449 -0.075 5.427 1.00 22.13 C ATOM 551 CD2 LEU A 33 8.573 1.131 4.876 1.00 74.50 C ATOM 0 H LEU A 33 5.288 0.496 7.874 1.00 24.42 H new ATOM 0 HA LEU A 33 7.959 -0.447 8.656 1.00 2.50 H new ATOM 0 HB2 LEU A 33 6.991 1.972 7.067 1.00 3.41 H new ATOM 0 HB3 LEU A 33 8.675 1.644 7.422 1.00 3.41 H new ATOM 0 HG LEU A 33 8.381 -0.561 6.170 1.00 33.33 H new ATOM 0 HD11 LEU A 33 6.565 -0.656 4.512 1.00 22.13 H new ATOM 0 HD12 LEU A 33 5.949 -0.682 6.181 1.00 22.13 H new ATOM 0 HD13 LEU A 33 5.850 0.812 5.220 1.00 22.13 H new ATOM 0 HD21 LEU A 33 8.644 0.534 3.966 1.00 74.50 H new ATOM 0 HD22 LEU A 33 8.039 2.057 4.662 1.00 74.50 H new ATOM 0 HD23 LEU A 33 9.575 1.365 5.235 1.00 74.50 H new ATOM 563 N PRO A 34 8.640 1.561 10.238 1.00 4.32 N ATOM 564 CA PRO A 34 8.878 2.515 11.335 1.00 53.05 C ATOM 565 C PRO A 34 8.869 3.996 10.874 1.00 63.03 C ATOM 566 O PRO A 34 7.891 4.711 11.095 1.00 63.23 O ATOM 567 CB PRO A 34 10.259 2.102 11.864 1.00 25.23 C ATOM 568 CG PRO A 34 10.952 1.486 10.691 1.00 40.12 C ATOM 569 CD PRO A 34 9.878 0.861 9.833 1.00 70.35 C ATOM 0 HA PRO A 34 8.089 2.474 12.086 1.00 53.05 H new ATOM 0 HB2 PRO A 34 10.811 2.963 12.242 1.00 25.23 H new ATOM 0 HB3 PRO A 34 10.171 1.393 12.688 1.00 25.23 H new ATOM 0 HG2 PRO A 34 11.507 2.238 10.130 1.00 40.12 H new ATOM 0 HG3 PRO A 34 11.673 0.736 11.017 1.00 40.12 H new ATOM 0 HD2 PRO A 34 10.085 0.999 8.772 1.00 70.35 H new ATOM 0 HD3 PRO A 34 9.804 -0.213 10.006 1.00 70.35 H new ATOM 577 N ALA A 35 9.944 4.449 10.217 1.00 52.41 N ATOM 578 CA ALA A 35 10.057 5.851 9.782 1.00 34.11 C ATOM 579 C ALA A 35 9.525 6.045 8.352 1.00 30.22 C ATOM 580 O ALA A 35 10.210 5.733 7.374 1.00 3.13 O ATOM 581 CB ALA A 35 11.510 6.313 9.875 1.00 63.02 C ATOM 0 H ALA A 35 10.747 3.869 9.974 1.00 52.41 H new ATOM 0 HA ALA A 35 9.444 6.459 10.447 1.00 34.11 H new ATOM 0 HB1 ALA A 35 11.583 7.351 9.551 1.00 63.02 H new ATOM 0 HB2 ALA A 35 11.853 6.230 10.906 1.00 63.02 H new ATOM 0 HB3 ALA A 35 12.132 5.688 9.234 1.00 63.02 H new ATOM 587 N HIS A 36 8.306 6.580 8.230 1.00 3.25 N ATOM 588 CA HIS A 36 7.644 6.697 6.923 1.00 25.24 C ATOM 589 C HIS A 36 6.283 7.404 7.026 1.00 41.12 C ATOM 590 O HIS A 36 5.853 7.811 8.104 1.00 71.43 O ATOM 591 CB HIS A 36 7.415 5.301 6.330 1.00 50.13 C ATOM 592 CG HIS A 36 6.338 4.543 7.041 1.00 70.44 C ATOM 593 ND1 HIS A 36 5.170 4.138 6.432 1.00 70.33 N ATOM 594 CD2 HIS A 36 6.250 4.126 8.323 1.00 62.31 C ATOM 595 CE1 HIS A 36 4.417 3.504 7.308 1.00 63.25 C ATOM 596 NE2 HIS A 36 5.048 3.481 8.463 1.00 44.20 N ATOM 0 H HIS A 36 7.759 6.937 9.013 1.00 3.25 H new ATOM 0 HA HIS A 36 8.299 7.290 6.285 1.00 25.24 H new ATOM 0 HB2 HIS A 36 7.152 5.397 5.277 1.00 50.13 H new ATOM 0 HB3 HIS A 36 8.345 4.734 6.376 1.00 50.13 H new ATOM 0 HD1 HIS A 36 4.926 4.303 5.455 1.00 70.33 H new ATOM 0 HD2 HIS A 36 6.990 4.274 9.096 1.00 62.31 H new ATOM 0 HE1 HIS A 36 3.445 3.075 7.111 1.00 63.25 H new ATOM 605 N ASP A 37 5.614 7.523 5.883 1.00 15.34 N ATOM 606 CA ASP A 37 4.209 7.933 5.827 1.00 72.03 C ATOM 607 C ASP A 37 3.381 6.848 5.110 1.00 74.42 C ATOM 608 O ASP A 37 3.924 5.828 4.668 1.00 34.22 O ATOM 609 CB ASP A 37 4.062 9.270 5.088 1.00 53.51 C ATOM 610 CG ASP A 37 4.815 10.401 5.759 1.00 12.51 C ATOM 611 OD1 ASP A 37 4.268 11.016 6.700 1.00 71.33 O ATOM 612 OD2 ASP A 37 5.951 10.691 5.343 1.00 13.44 O ATOM 0 H ASP A 37 6.027 7.339 4.969 1.00 15.34 H new ATOM 0 HA ASP A 37 3.843 8.059 6.846 1.00 72.03 H new ATOM 0 HB2 ASP A 37 4.423 9.156 4.066 1.00 53.51 H new ATOM 0 HB3 ASP A 37 3.005 9.531 5.026 1.00 53.51 H new ATOM 617 N TYR A 38 2.074 7.055 5.007 1.00 14.11 N ATOM 618 CA TYR A 38 1.200 6.153 4.243 1.00 1.12 C ATOM 619 C TYR A 38 0.095 6.936 3.516 1.00 22.11 C ATOM 620 O TYR A 38 -0.552 7.809 4.098 1.00 24.11 O ATOM 621 CB TYR A 38 0.617 5.050 5.146 1.00 11.15 C ATOM 622 CG TYR A 38 0.127 5.526 6.503 1.00 42.53 C ATOM 623 CD1 TYR A 38 1.003 5.627 7.581 1.00 20.12 C ATOM 624 CD2 TYR A 38 -1.207 5.859 6.712 1.00 44.05 C ATOM 625 CE1 TYR A 38 0.564 6.046 8.822 1.00 23.31 C ATOM 626 CE2 TYR A 38 -1.650 6.277 7.952 1.00 74.41 C ATOM 627 CZ TYR A 38 -0.762 6.371 9.003 1.00 32.12 C ATOM 628 OH TYR A 38 -1.208 6.786 10.239 1.00 44.33 O ATOM 0 H TYR A 38 1.588 7.840 5.442 1.00 14.11 H new ATOM 0 HA TYR A 38 1.806 5.663 3.481 1.00 1.12 H new ATOM 0 HB2 TYR A 38 -0.212 4.574 4.623 1.00 11.15 H new ATOM 0 HB3 TYR A 38 1.379 4.286 5.299 1.00 11.15 H new ATOM 0 HD1 TYR A 38 2.044 5.373 7.444 1.00 20.12 H new ATOM 0 HD2 TYR A 38 -1.907 5.790 5.893 1.00 44.05 H new ATOM 0 HE1 TYR A 38 1.258 6.118 9.647 1.00 23.31 H new ATOM 0 HE2 TYR A 38 -2.690 6.530 8.098 1.00 74.41 H new ATOM 0 HH TYR A 38 -2.168 6.977 10.193 1.00 44.33 H new ATOM 638 N PHE A 39 -0.108 6.613 2.239 1.00 75.13 N ATOM 639 CA PHE A 39 -0.973 7.404 1.353 1.00 43.20 C ATOM 640 C PHE A 39 -2.445 6.946 1.418 1.00 74.14 C ATOM 641 O PHE A 39 -2.835 6.184 2.302 1.00 2.43 O ATOM 642 CB PHE A 39 -0.439 7.297 -0.087 1.00 34.11 C ATOM 643 CG PHE A 39 -0.351 8.613 -0.820 1.00 20.03 C ATOM 644 CD1 PHE A 39 0.712 9.477 -0.588 1.00 14.33 C ATOM 645 CD2 PHE A 39 -1.319 8.985 -1.742 1.00 13.24 C ATOM 646 CE1 PHE A 39 0.804 10.682 -1.260 1.00 32.20 C ATOM 647 CE2 PHE A 39 -1.231 10.188 -2.416 1.00 33.15 C ATOM 648 CZ PHE A 39 -0.170 11.038 -2.175 1.00 53.12 C ATOM 0 H PHE A 39 0.317 5.803 1.789 1.00 75.13 H new ATOM 0 HA PHE A 39 -0.952 8.442 1.686 1.00 43.20 H new ATOM 0 HB2 PHE A 39 0.552 6.843 -0.061 1.00 34.11 H new ATOM 0 HB3 PHE A 39 -1.084 6.623 -0.651 1.00 34.11 H new ATOM 0 HD1 PHE A 39 1.475 9.204 0.126 1.00 14.33 H new ATOM 0 HD2 PHE A 39 -2.152 8.326 -1.935 1.00 13.24 H new ATOM 0 HE1 PHE A 39 1.636 11.344 -1.071 1.00 32.20 H new ATOM 0 HE2 PHE A 39 -1.992 10.463 -3.131 1.00 33.15 H new ATOM 0 HZ PHE A 39 -0.101 11.979 -2.700 1.00 53.12 H new ATOM 658 N GLU A 40 -3.257 7.425 0.474 1.00 52.11 N ATOM 659 CA GLU A 40 -4.683 7.089 0.426 1.00 1.23 C ATOM 660 C GLU A 40 -4.928 5.667 -0.122 1.00 42.24 C ATOM 661 O GLU A 40 -4.854 5.420 -1.329 1.00 61.25 O ATOM 662 CB GLU A 40 -5.452 8.133 -0.409 1.00 14.20 C ATOM 663 CG GLU A 40 -4.910 8.329 -1.824 1.00 44.11 C ATOM 664 CD GLU A 40 -5.721 9.330 -2.636 1.00 53.34 C ATOM 665 OE1 GLU A 40 -5.420 10.544 -2.568 1.00 44.23 O ATOM 666 OE2 GLU A 40 -6.657 8.909 -3.352 1.00 44.45 O ATOM 0 H GLU A 40 -2.950 8.050 -0.272 1.00 52.11 H new ATOM 0 HA GLU A 40 -5.057 7.107 1.450 1.00 1.23 H new ATOM 0 HB2 GLU A 40 -6.498 7.832 -0.471 1.00 14.20 H new ATOM 0 HB3 GLU A 40 -5.426 9.089 0.113 1.00 14.20 H new ATOM 0 HG2 GLU A 40 -3.876 8.668 -1.768 1.00 44.11 H new ATOM 0 HG3 GLU A 40 -4.904 7.370 -2.341 1.00 44.11 H new ATOM 673 N PHE A 41 -5.200 4.730 0.781 1.00 75.12 N ATOM 674 CA PHE A 41 -5.574 3.366 0.395 1.00 3.31 C ATOM 675 C PHE A 41 -7.076 3.305 0.083 1.00 13.44 C ATOM 676 O PHE A 41 -7.898 3.708 0.905 1.00 51.30 O ATOM 677 CB PHE A 41 -5.231 2.381 1.524 1.00 40.32 C ATOM 678 CG PHE A 41 -3.773 2.390 1.922 1.00 75.12 C ATOM 679 CD1 PHE A 41 -2.853 1.586 1.265 1.00 72.21 C ATOM 680 CD2 PHE A 41 -3.324 3.206 2.951 1.00 3.31 C ATOM 681 CE1 PHE A 41 -1.518 1.599 1.625 1.00 33.50 C ATOM 682 CE2 PHE A 41 -1.990 3.221 3.314 1.00 61.44 C ATOM 683 CZ PHE A 41 -1.086 2.416 2.650 1.00 42.32 C ATOM 0 H PHE A 41 -5.169 4.887 1.788 1.00 75.12 H new ATOM 0 HA PHE A 41 -5.013 3.086 -0.496 1.00 3.31 H new ATOM 0 HB2 PHE A 41 -5.838 2.619 2.398 1.00 40.32 H new ATOM 0 HB3 PHE A 41 -5.506 1.374 1.210 1.00 40.32 H new ATOM 0 HD1 PHE A 41 -3.183 0.942 0.463 1.00 72.21 H new ATOM 0 HD2 PHE A 41 -4.026 3.838 3.475 1.00 3.31 H new ATOM 0 HE1 PHE A 41 -0.813 0.969 1.103 1.00 33.50 H new ATOM 0 HE2 PHE A 41 -1.655 3.862 4.116 1.00 61.44 H new ATOM 0 HZ PHE A 41 -0.043 2.426 2.932 1.00 42.32 H new ATOM 693 N PHE A 42 -7.430 2.808 -1.101 1.00 42.32 N ATOM 694 CA PHE A 42 -8.831 2.787 -1.540 1.00 2.24 C ATOM 695 C PHE A 42 -9.730 2.013 -0.556 1.00 5.52 C ATOM 696 O PHE A 42 -9.441 0.875 -0.180 1.00 22.43 O ATOM 697 CB PHE A 42 -8.951 2.198 -2.960 1.00 32.15 C ATOM 698 CG PHE A 42 -8.593 0.732 -3.074 1.00 30.32 C ATOM 699 CD1 PHE A 42 -7.269 0.329 -3.167 1.00 22.04 C ATOM 700 CD2 PHE A 42 -9.586 -0.242 -3.100 1.00 12.43 C ATOM 701 CE1 PHE A 42 -6.942 -1.008 -3.280 1.00 62.42 C ATOM 702 CE2 PHE A 42 -9.262 -1.581 -3.213 1.00 20.41 C ATOM 703 CZ PHE A 42 -7.939 -1.964 -3.304 1.00 61.21 C ATOM 0 H PHE A 42 -6.772 2.415 -1.774 1.00 42.32 H new ATOM 0 HA PHE A 42 -9.179 3.820 -1.560 1.00 2.24 H new ATOM 0 HB2 PHE A 42 -9.974 2.335 -3.309 1.00 32.15 H new ATOM 0 HB3 PHE A 42 -8.306 2.768 -3.630 1.00 32.15 H new ATOM 0 HD1 PHE A 42 -6.484 1.070 -3.151 1.00 22.04 H new ATOM 0 HD2 PHE A 42 -10.623 0.052 -3.031 1.00 12.43 H new ATOM 0 HE1 PHE A 42 -5.906 -1.306 -3.350 1.00 62.42 H new ATOM 0 HE2 PHE A 42 -10.043 -2.327 -3.230 1.00 20.41 H new ATOM 0 HZ PHE A 42 -7.684 -3.010 -3.394 1.00 61.21 H new ATOM 713 N ALA A 43 -10.812 2.650 -0.123 1.00 3.32 N ATOM 714 CA ALA A 43 -11.775 2.017 0.777 1.00 32.41 C ATOM 715 C ALA A 43 -13.004 1.520 0.006 1.00 31.12 C ATOM 716 O ALA A 43 -13.917 2.292 -0.297 1.00 30.11 O ATOM 717 CB ALA A 43 -12.183 2.988 1.877 1.00 45.23 C ATOM 0 H ALA A 43 -11.047 3.609 -0.381 1.00 3.32 H new ATOM 0 HA ALA A 43 -11.298 1.151 1.236 1.00 32.41 H new ATOM 0 HB1 ALA A 43 -12.900 2.505 2.541 1.00 45.23 H new ATOM 0 HB2 ALA A 43 -11.302 3.283 2.447 1.00 45.23 H new ATOM 0 HB3 ALA A 43 -12.639 3.872 1.431 1.00 45.23 H new ATOM 723 N ALA A 44 -13.009 0.233 -0.327 1.00 23.10 N ATOM 724 CA ALA A 44 -14.105 -0.369 -1.090 1.00 70.53 C ATOM 725 C ALA A 44 -14.454 -1.773 -0.578 1.00 64.21 C ATOM 726 O ALA A 44 -13.842 -2.277 0.369 1.00 75.00 O ATOM 727 CB ALA A 44 -13.740 -0.417 -2.570 1.00 71.32 C ATOM 0 H ALA A 44 -12.264 -0.419 -0.080 1.00 23.10 H new ATOM 0 HA ALA A 44 -14.989 0.254 -0.955 1.00 70.53 H new ATOM 0 HB1 ALA A 44 -14.559 -0.866 -3.132 1.00 71.32 H new ATOM 0 HB2 ALA A 44 -13.562 0.595 -2.934 1.00 71.32 H new ATOM 0 HB3 ALA A 44 -12.838 -1.015 -2.703 1.00 71.32 H new ATOM 733 N ASP A 45 -15.447 -2.392 -1.211 1.00 0.43 N ATOM 734 CA ASP A 45 -15.897 -3.738 -0.843 1.00 52.14 C ATOM 735 C ASP A 45 -15.386 -4.808 -1.824 1.00 24.23 C ATOM 736 O ASP A 45 -15.006 -4.507 -2.957 1.00 51.32 O ATOM 737 CB ASP A 45 -17.428 -3.778 -0.803 1.00 13.44 C ATOM 738 CG ASP A 45 -18.003 -2.995 0.364 1.00 64.02 C ATOM 739 OD1 ASP A 45 -18.096 -1.753 0.269 1.00 64.31 O ATOM 740 OD2 ASP A 45 -18.378 -3.625 1.375 1.00 15.34 O ATOM 0 H ASP A 45 -15.962 -1.981 -1.989 1.00 0.43 H new ATOM 0 HA ASP A 45 -15.486 -3.962 0.141 1.00 52.14 H new ATOM 0 HB2 ASP A 45 -17.823 -3.375 -1.736 1.00 13.44 H new ATOM 0 HB3 ASP A 45 -17.759 -4.815 -0.738 1.00 13.44 H new ATOM 745 N LEU A 46 -15.419 -6.066 -1.381 1.00 14.04 N ATOM 746 CA LEU A 46 -15.030 -7.216 -2.215 1.00 31.10 C ATOM 747 C LEU A 46 -16.208 -7.693 -3.086 1.00 23.13 C ATOM 748 O LEU A 46 -16.302 -8.866 -3.455 1.00 2.21 O ATOM 749 CB LEU A 46 -14.505 -8.349 -1.306 1.00 61.42 C ATOM 750 CG LEU A 46 -15.359 -8.671 -0.056 1.00 21.52 C ATOM 751 CD1 LEU A 46 -16.577 -9.523 -0.407 1.00 42.00 C ATOM 752 CD2 LEU A 46 -14.512 -9.351 1.016 1.00 40.42 C ATOM 0 H LEU A 46 -15.714 -6.321 -0.439 1.00 14.04 H new ATOM 0 HA LEU A 46 -14.235 -6.913 -2.896 1.00 31.10 H new ATOM 0 HB2 LEU A 46 -14.417 -9.256 -1.904 1.00 61.42 H new ATOM 0 HB3 LEU A 46 -13.500 -8.086 -0.976 1.00 61.42 H new ATOM 0 HG LEU A 46 -15.727 -7.725 0.342 1.00 21.52 H new ATOM 0 HD11 LEU A 46 -17.151 -9.728 0.497 1.00 42.00 H new ATOM 0 HD12 LEU A 46 -17.203 -8.987 -1.120 1.00 42.00 H new ATOM 0 HD13 LEU A 46 -16.248 -10.464 -0.848 1.00 42.00 H new ATOM 0 HD21 LEU A 46 -15.132 -9.568 1.886 1.00 40.42 H new ATOM 0 HD22 LEU A 46 -14.102 -10.281 0.621 1.00 40.42 H new ATOM 0 HD23 LEU A 46 -13.696 -8.690 1.308 1.00 40.42 H new ATOM 764 N SER A 47 -17.077 -6.753 -3.440 1.00 72.33 N ATOM 765 CA SER A 47 -18.311 -7.043 -4.178 1.00 63.22 C ATOM 766 C SER A 47 -18.048 -7.508 -5.617 1.00 42.23 C ATOM 767 O SER A 47 -17.016 -7.194 -6.216 1.00 74.14 O ATOM 768 CB SER A 47 -19.196 -5.787 -4.219 1.00 0.53 C ATOM 769 OG SER A 47 -19.536 -5.340 -2.912 1.00 5.05 O ATOM 0 H SER A 47 -16.950 -5.764 -3.225 1.00 72.33 H new ATOM 0 HA SER A 47 -18.810 -7.856 -3.651 1.00 63.22 H new ATOM 0 HB2 SER A 47 -18.674 -4.992 -4.751 1.00 0.53 H new ATOM 0 HB3 SER A 47 -20.106 -6.001 -4.779 1.00 0.53 H new ATOM 0 HG SER A 47 -20.097 -4.539 -2.976 1.00 5.05 H new ATOM 775 N LEU A 48 -18.996 -8.264 -6.167 1.00 34.21 N ATOM 776 CA LEU A 48 -18.985 -8.597 -7.596 1.00 1.34 C ATOM 777 C LEU A 48 -19.422 -7.372 -8.410 1.00 73.25 C ATOM 778 O LEU A 48 -20.056 -6.466 -7.863 1.00 71.00 O ATOM 779 CB LEU A 48 -19.903 -9.797 -7.887 1.00 4.52 C ATOM 780 CG LEU A 48 -19.407 -11.165 -7.369 1.00 61.45 C ATOM 781 CD1 LEU A 48 -18.043 -11.506 -7.965 1.00 34.42 C ATOM 782 CD2 LEU A 48 -19.363 -11.205 -5.840 1.00 23.42 C ATOM 0 H LEU A 48 -19.781 -8.658 -5.649 1.00 34.21 H new ATOM 0 HA LEU A 48 -17.972 -8.877 -7.886 1.00 1.34 H new ATOM 0 HB2 LEU A 48 -20.881 -9.597 -7.449 1.00 4.52 H new ATOM 0 HB3 LEU A 48 -20.045 -9.868 -8.965 1.00 4.52 H new ATOM 0 HG LEU A 48 -20.121 -11.921 -7.694 1.00 61.45 H new ATOM 0 HD11 LEU A 48 -17.712 -12.473 -7.587 1.00 34.42 H new ATOM 0 HD12 LEU A 48 -18.121 -11.548 -9.051 1.00 34.42 H new ATOM 0 HD13 LEU A 48 -17.321 -10.740 -7.683 1.00 34.42 H new ATOM 0 HD21 LEU A 48 -19.009 -12.182 -5.512 1.00 23.42 H new ATOM 0 HD22 LEU A 48 -18.686 -10.433 -5.475 1.00 23.42 H new ATOM 0 HD23 LEU A 48 -20.362 -11.028 -5.442 1.00 23.42 H new ATOM 794 N TYR A 49 -19.114 -7.354 -9.709 1.00 32.24 N ATOM 795 CA TYR A 49 -19.287 -6.143 -10.528 1.00 32.44 C ATOM 796 C TYR A 49 -18.326 -5.050 -10.014 1.00 2.23 C ATOM 797 O TYR A 49 -18.684 -4.230 -9.167 1.00 21.33 O ATOM 798 CB TYR A 49 -20.757 -5.674 -10.510 1.00 31.22 C ATOM 799 CG TYR A 49 -21.045 -4.440 -11.345 1.00 74.14 C ATOM 800 CD1 TYR A 49 -20.901 -4.459 -12.729 1.00 22.04 C ATOM 801 CD2 TYR A 49 -21.481 -3.259 -10.748 1.00 31.21 C ATOM 802 CE1 TYR A 49 -21.182 -3.342 -13.489 1.00 63.32 C ATOM 803 CE2 TYR A 49 -21.760 -2.138 -11.503 1.00 30.04 C ATOM 804 CZ TYR A 49 -21.609 -2.185 -12.872 1.00 63.35 C ATOM 805 OH TYR A 49 -21.895 -1.071 -13.632 1.00 73.11 O ATOM 0 H TYR A 49 -18.745 -8.157 -10.218 1.00 32.24 H new ATOM 0 HA TYR A 49 -19.042 -6.362 -11.567 1.00 32.44 H new ATOM 0 HB2 TYR A 49 -21.388 -6.490 -10.864 1.00 31.22 H new ATOM 0 HB3 TYR A 49 -21.046 -5.472 -9.479 1.00 31.22 H new ATOM 0 HD1 TYR A 49 -20.564 -5.362 -13.216 1.00 22.04 H new ATOM 0 HD2 TYR A 49 -21.603 -3.220 -9.676 1.00 31.21 H new ATOM 0 HE1 TYR A 49 -21.068 -3.374 -14.562 1.00 63.32 H new ATOM 0 HE2 TYR A 49 -22.095 -1.230 -11.024 1.00 30.04 H new ATOM 0 HH TYR A 49 -22.184 -0.341 -13.046 1.00 73.11 H new ATOM 815 N PRO A 50 -17.075 -5.047 -10.519 1.00 4.23 N ATOM 816 CA PRO A 50 -15.957 -4.300 -9.904 1.00 62.01 C ATOM 817 C PRO A 50 -16.006 -2.773 -10.085 1.00 51.43 C ATOM 818 O PRO A 50 -16.698 -2.242 -10.955 1.00 60.11 O ATOM 819 CB PRO A 50 -14.732 -4.878 -10.623 1.00 43.22 C ATOM 820 CG PRO A 50 -15.244 -5.271 -11.967 1.00 2.34 C ATOM 821 CD PRO A 50 -16.651 -5.764 -11.742 1.00 34.12 C ATOM 0 HA PRO A 50 -15.969 -4.419 -8.821 1.00 62.01 H new ATOM 0 HB2 PRO A 50 -13.933 -4.141 -10.702 1.00 43.22 H new ATOM 0 HB3 PRO A 50 -14.324 -5.735 -10.087 1.00 43.22 H new ATOM 0 HG2 PRO A 50 -15.231 -4.424 -12.653 1.00 2.34 H new ATOM 0 HG3 PRO A 50 -14.623 -6.050 -12.410 1.00 2.34 H new ATOM 0 HD2 PRO A 50 -17.298 -5.532 -12.588 1.00 34.12 H new ATOM 0 HD3 PRO A 50 -16.681 -6.845 -11.605 1.00 34.12 H new ATOM 829 N HIS A 51 -15.208 -2.084 -9.265 1.00 11.35 N ATOM 830 CA HIS A 51 -15.095 -0.619 -9.289 1.00 14.34 C ATOM 831 C HIS A 51 -14.173 -0.139 -10.437 1.00 63.22 C ATOM 832 O HIS A 51 -13.674 0.986 -10.421 1.00 1.52 O ATOM 833 CB HIS A 51 -14.551 -0.154 -7.926 1.00 34.02 C ATOM 834 CG HIS A 51 -14.524 1.334 -7.732 1.00 71.23 C ATOM 835 ND1 HIS A 51 -13.415 2.111 -8.003 1.00 11.15 N ATOM 836 CD2 HIS A 51 -15.473 2.188 -7.280 1.00 25.33 C ATOM 837 CE1 HIS A 51 -13.686 3.372 -7.726 1.00 12.05 C ATOM 838 NE2 HIS A 51 -14.926 3.446 -7.287 1.00 64.51 N ATOM 0 H HIS A 51 -14.618 -2.527 -8.561 1.00 11.35 H new ATOM 0 HA HIS A 51 -16.078 -0.185 -9.470 1.00 14.34 H new ATOM 0 HB2 HIS A 51 -15.159 -0.598 -7.138 1.00 34.02 H new ATOM 0 HB3 HIS A 51 -13.539 -0.540 -7.804 1.00 34.02 H new ATOM 0 HD1 HIS A 51 -12.525 1.764 -8.361 1.00 11.15 H new ATOM 0 HD2 HIS A 51 -16.475 1.927 -6.971 1.00 25.33 H new ATOM 0 HE1 HIS A 51 -13.006 4.203 -7.840 1.00 12.05 H new ATOM 847 N LEU A 52 -13.965 -1.007 -11.431 1.00 23.35 N ATOM 848 CA LEU A 52 -13.093 -0.726 -12.583 1.00 2.24 C ATOM 849 C LEU A 52 -11.613 -0.589 -12.171 1.00 72.23 C ATOM 850 O LEU A 52 -10.804 -1.480 -12.440 1.00 11.42 O ATOM 851 CB LEU A 52 -13.560 0.533 -13.343 1.00 11.41 C ATOM 852 CG LEU A 52 -12.752 0.884 -14.606 1.00 22.31 C ATOM 853 CD1 LEU A 52 -12.815 -0.251 -15.626 1.00 54.34 C ATOM 854 CD2 LEU A 52 -13.252 2.192 -15.217 1.00 51.13 C ATOM 0 H LEU A 52 -14.397 -1.930 -11.463 1.00 23.35 H new ATOM 0 HA LEU A 52 -13.170 -1.583 -13.252 1.00 2.24 H new ATOM 0 HB2 LEU A 52 -14.604 0.398 -13.627 1.00 11.41 H new ATOM 0 HB3 LEU A 52 -13.522 1.382 -12.661 1.00 11.41 H new ATOM 0 HG LEU A 52 -11.710 1.018 -14.317 1.00 22.31 H new ATOM 0 HD11 LEU A 52 -12.237 0.021 -16.509 1.00 54.34 H new ATOM 0 HD12 LEU A 52 -12.401 -1.159 -15.186 1.00 54.34 H new ATOM 0 HD13 LEU A 52 -13.852 -0.427 -15.911 1.00 54.34 H new ATOM 0 HD21 LEU A 52 -12.669 2.423 -16.108 1.00 51.13 H new ATOM 0 HD22 LEU A 52 -14.303 2.089 -15.487 1.00 51.13 H new ATOM 0 HD23 LEU A 52 -13.141 2.998 -14.492 1.00 51.13 H new ATOM 866 N TYR A 53 -11.266 0.517 -11.514 1.00 53.51 N ATOM 867 CA TYR A 53 -9.877 0.783 -11.115 1.00 63.24 C ATOM 868 C TYR A 53 -9.724 0.923 -9.590 1.00 5.13 C ATOM 869 O TYR A 53 -10.687 1.234 -8.878 1.00 62.51 O ATOM 870 CB TYR A 53 -9.364 2.051 -11.819 1.00 43.42 C ATOM 871 CG TYR A 53 -10.227 3.286 -11.594 1.00 35.13 C ATOM 872 CD1 TYR A 53 -10.109 4.043 -10.433 1.00 23.21 C ATOM 873 CD2 TYR A 53 -11.158 3.693 -12.546 1.00 61.45 C ATOM 874 CE1 TYR A 53 -10.889 5.163 -10.228 1.00 41.22 C ATOM 875 CE2 TYR A 53 -11.940 4.815 -12.347 1.00 64.12 C ATOM 876 CZ TYR A 53 -11.801 5.546 -11.187 1.00 13.45 C ATOM 877 OH TYR A 53 -12.576 6.668 -10.986 1.00 51.12 O ATOM 0 H TYR A 53 -11.926 1.247 -11.245 1.00 53.51 H new ATOM 0 HA TYR A 53 -9.278 -0.075 -11.421 1.00 63.24 H new ATOM 0 HB2 TYR A 53 -8.352 2.261 -11.472 1.00 43.42 H new ATOM 0 HB3 TYR A 53 -9.300 1.857 -12.890 1.00 43.42 H new ATOM 0 HD1 TYR A 53 -9.394 3.749 -9.679 1.00 23.21 H new ATOM 0 HD2 TYR A 53 -11.271 3.122 -13.456 1.00 61.45 H new ATOM 0 HE1 TYR A 53 -10.785 5.737 -9.319 1.00 41.22 H new ATOM 0 HE2 TYR A 53 -12.656 5.117 -13.097 1.00 64.12 H new ATOM 0 HH TYR A 53 -13.166 6.800 -11.757 1.00 51.12 H new ATOM 887 N SER A 54 -8.501 0.688 -9.107 1.00 64.15 N ATOM 888 CA SER A 54 -8.165 0.807 -7.677 1.00 13.30 C ATOM 889 C SER A 54 -6.654 0.629 -7.454 1.00 64.42 C ATOM 890 O SER A 54 -6.036 -0.257 -8.045 1.00 73.34 O ATOM 891 CB SER A 54 -8.934 -0.237 -6.847 1.00 41.42 C ATOM 892 OG SER A 54 -8.639 -1.561 -7.270 1.00 23.21 O ATOM 0 H SER A 54 -7.713 0.410 -9.692 1.00 64.15 H new ATOM 0 HA SER A 54 -8.456 1.805 -7.350 1.00 13.30 H new ATOM 0 HB2 SER A 54 -8.678 -0.125 -5.793 1.00 41.42 H new ATOM 0 HB3 SER A 54 -10.005 -0.056 -6.936 1.00 41.42 H new ATOM 0 HG SER A 54 -7.728 -1.797 -6.995 1.00 23.21 H new ATOM 898 N ARG A 55 -6.057 1.468 -6.599 1.00 33.31 N ATOM 899 CA ARG A 55 -4.608 1.397 -6.333 1.00 14.04 C ATOM 900 C ARG A 55 -4.247 1.972 -4.949 1.00 60.50 C ATOM 901 O ARG A 55 -5.104 2.511 -4.246 1.00 21.10 O ATOM 902 CB ARG A 55 -3.821 2.148 -7.429 1.00 25.40 C ATOM 903 CG ARG A 55 -3.718 3.670 -7.247 1.00 3.21 C ATOM 904 CD ARG A 55 -5.079 4.368 -7.142 1.00 52.42 C ATOM 905 NE ARG A 55 -5.362 4.842 -5.781 1.00 64.40 N ATOM 906 CZ ARG A 55 -5.952 5.979 -5.503 1.00 14.43 C ATOM 907 NH1 ARG A 55 -6.390 6.744 -6.455 1.00 21.43 N ATOM 908 NH2 ARG A 55 -6.116 6.338 -4.266 1.00 44.33 N ATOM 0 H ARG A 55 -6.546 2.199 -6.082 1.00 33.31 H new ATOM 0 HA ARG A 55 -4.331 0.343 -6.342 1.00 14.04 H new ATOM 0 HB2 ARG A 55 -2.813 1.736 -7.474 1.00 25.40 H new ATOM 0 HB3 ARG A 55 -4.291 1.946 -8.392 1.00 25.40 H new ATOM 0 HG2 ARG A 55 -3.140 3.882 -6.348 1.00 3.21 H new ATOM 0 HG3 ARG A 55 -3.166 4.092 -8.087 1.00 3.21 H new ATOM 0 HD2 ARG A 55 -5.105 5.213 -7.831 1.00 52.42 H new ATOM 0 HD3 ARG A 55 -5.863 3.678 -7.454 1.00 52.42 H new ATOM 0 HE ARG A 55 -5.081 4.248 -5.001 1.00 64.40 H new ATOM 0 HH11 ARG A 55 -6.276 6.462 -7.429 1.00 21.43 H new ATOM 0 HH12 ARG A 55 -6.848 7.627 -6.230 1.00 21.43 H new ATOM 0 HH21 ARG A 55 -5.786 5.736 -3.512 1.00 44.33 H new ATOM 0 HH22 ARG A 55 -6.575 7.223 -4.048 1.00 44.33 H new ATOM 922 N ALA A 56 -2.970 1.876 -4.579 1.00 63.01 N ATOM 923 CA ALA A 56 -2.475 2.440 -3.316 1.00 25.54 C ATOM 924 C ALA A 56 -1.019 2.928 -3.456 1.00 33.20 C ATOM 925 O ALA A 56 -0.305 2.521 -4.372 1.00 53.03 O ATOM 926 CB ALA A 56 -2.595 1.408 -2.198 1.00 3.44 C ATOM 0 H ALA A 56 -2.254 1.411 -5.137 1.00 63.01 H new ATOM 0 HA ALA A 56 -3.089 3.304 -3.063 1.00 25.54 H new ATOM 0 HB1 ALA A 56 -2.225 1.836 -1.266 1.00 3.44 H new ATOM 0 HB2 ALA A 56 -3.640 1.123 -2.077 1.00 3.44 H new ATOM 0 HB3 ALA A 56 -2.005 0.527 -2.451 1.00 3.44 H new ATOM 932 N TYR A 57 -0.584 3.804 -2.547 1.00 55.21 N ATOM 933 CA TYR A 57 0.780 4.364 -2.594 1.00 31.24 C ATOM 934 C TYR A 57 1.460 4.295 -1.214 1.00 43.11 C ATOM 935 O TYR A 57 0.789 4.299 -0.179 1.00 43.14 O ATOM 936 CB TYR A 57 0.752 5.830 -3.060 1.00 43.13 C ATOM 937 CG TYR A 57 0.042 6.064 -4.381 1.00 15.01 C ATOM 938 CD1 TYR A 57 -1.322 6.341 -4.420 1.00 31.20 C ATOM 939 CD2 TYR A 57 0.738 6.027 -5.584 1.00 11.42 C ATOM 940 CE1 TYR A 57 -1.967 6.570 -5.617 1.00 1.34 C ATOM 941 CE2 TYR A 57 0.097 6.254 -6.785 1.00 41.33 C ATOM 942 CZ TYR A 57 -1.254 6.527 -6.796 1.00 41.30 C ATOM 943 OH TYR A 57 -1.900 6.764 -7.988 1.00 73.04 O ATOM 0 H TYR A 57 -1.150 4.144 -1.770 1.00 55.21 H new ATOM 0 HA TYR A 57 1.349 3.764 -3.304 1.00 31.24 H new ATOM 0 HB2 TYR A 57 0.267 6.432 -2.291 1.00 43.13 H new ATOM 0 HB3 TYR A 57 1.778 6.189 -3.146 1.00 43.13 H new ATOM 0 HD1 TYR A 57 -1.884 6.377 -3.498 1.00 31.20 H new ATOM 0 HD2 TYR A 57 1.797 5.817 -5.579 1.00 11.42 H new ATOM 0 HE1 TYR A 57 -3.026 6.782 -5.631 1.00 1.34 H new ATOM 0 HE2 TYR A 57 0.651 6.218 -7.711 1.00 41.33 H new ATOM 0 HH TYR A 57 -1.259 6.698 -8.726 1.00 73.04 H new ATOM 953 N ILE A 58 2.793 4.240 -1.206 1.00 2.35 N ATOM 954 CA ILE A 58 3.574 4.239 0.040 1.00 31.33 C ATOM 955 C ILE A 58 4.621 5.368 0.024 1.00 14.13 C ATOM 956 O ILE A 58 5.128 5.750 -1.032 1.00 15.14 O ATOM 957 CB ILE A 58 4.297 2.881 0.248 1.00 63.03 C ATOM 958 CG1 ILE A 58 3.307 1.711 0.086 1.00 52.01 C ATOM 959 CG2 ILE A 58 4.969 2.831 1.623 1.00 61.02 C ATOM 960 CD1 ILE A 58 3.959 0.345 0.141 1.00 14.24 C ATOM 0 H ILE A 58 3.361 4.195 -2.052 1.00 2.35 H new ATOM 0 HA ILE A 58 2.876 4.399 0.862 1.00 31.33 H new ATOM 0 HB ILE A 58 5.071 2.785 -0.514 1.00 63.03 H new ATOM 0 HG12 ILE A 58 2.553 1.775 0.870 1.00 52.01 H new ATOM 0 HG13 ILE A 58 2.787 1.817 -0.866 1.00 52.01 H new ATOM 0 HG21 ILE A 58 5.470 1.871 1.748 1.00 61.02 H new ATOM 0 HG22 ILE A 58 5.701 3.635 1.700 1.00 61.02 H new ATOM 0 HG23 ILE A 58 4.215 2.951 2.401 1.00 61.02 H new ATOM 0 HD11 ILE A 58 3.198 -0.426 0.020 1.00 14.24 H new ATOM 0 HD12 ILE A 58 4.693 0.260 -0.660 1.00 14.24 H new ATOM 0 HD13 ILE A 58 4.455 0.217 1.103 1.00 14.24 H new ATOM 972 N ASN A 59 4.941 5.915 1.192 1.00 22.04 N ATOM 973 CA ASN A 59 5.936 6.990 1.283 1.00 62.44 C ATOM 974 C ASN A 59 7.008 6.681 2.338 1.00 55.32 C ATOM 975 O ASN A 59 6.694 6.336 3.479 1.00 13.02 O ATOM 976 CB ASN A 59 5.251 8.323 1.603 1.00 30.44 C ATOM 977 CG ASN A 59 6.228 9.484 1.591 1.00 2.24 C ATOM 978 OD1 ASN A 59 7.210 9.475 0.856 1.00 35.32 O ATOM 979 ND2 ASN A 59 5.983 10.480 2.412 1.00 64.43 N ATOM 0 H ASN A 59 4.533 5.638 2.085 1.00 22.04 H new ATOM 0 HA ASN A 59 6.431 7.064 0.315 1.00 62.44 H new ATOM 0 HB2 ASN A 59 4.460 8.508 0.876 1.00 30.44 H new ATOM 0 HB3 ASN A 59 4.775 8.260 2.582 1.00 30.44 H new ATOM 0 HD21 ASN A 59 6.619 11.277 2.451 1.00 64.43 H new ATOM 0 HD22 ASN A 59 5.157 10.457 3.010 1.00 64.43 H new ATOM 986 N PHE A 60 8.272 6.818 1.944 1.00 32.50 N ATOM 987 CA PHE A 60 9.412 6.542 2.828 1.00 13.32 C ATOM 988 C PHE A 60 10.052 7.833 3.353 1.00 22.04 C ATOM 989 O PHE A 60 10.167 8.826 2.633 1.00 33.10 O ATOM 990 CB PHE A 60 10.474 5.720 2.080 1.00 64.20 C ATOM 991 CG PHE A 60 10.115 4.265 1.897 1.00 21.51 C ATOM 992 CD1 PHE A 60 9.037 3.886 1.110 1.00 10.23 C ATOM 993 CD2 PHE A 60 10.861 3.277 2.521 1.00 32.24 C ATOM 994 CE1 PHE A 60 8.715 2.552 0.948 1.00 10.22 C ATOM 995 CE2 PHE A 60 10.545 1.945 2.362 1.00 31.30 C ATOM 996 CZ PHE A 60 9.471 1.580 1.575 1.00 65.41 C ATOM 0 H PHE A 60 8.539 7.122 1.008 1.00 32.50 H new ATOM 0 HA PHE A 60 9.033 5.977 3.680 1.00 13.32 H new ATOM 0 HB2 PHE A 60 10.640 6.168 1.100 1.00 64.20 H new ATOM 0 HB3 PHE A 60 11.417 5.784 2.624 1.00 64.20 H new ATOM 0 HD1 PHE A 60 8.443 4.642 0.618 1.00 10.23 H new ATOM 0 HD2 PHE A 60 11.701 3.555 3.140 1.00 32.24 H new ATOM 0 HE1 PHE A 60 7.874 2.270 0.332 1.00 10.22 H new ATOM 0 HE2 PHE A 60 11.137 1.187 2.853 1.00 31.30 H new ATOM 0 HZ PHE A 60 9.222 0.537 1.450 1.00 65.41 H new ATOM 1006 N ARG A 61 10.456 7.816 4.622 1.00 22.31 N ATOM 1007 CA ARG A 61 11.211 8.930 5.211 1.00 65.11 C ATOM 1008 C ARG A 61 12.675 8.531 5.446 1.00 12.33 C ATOM 1009 O ARG A 61 13.585 9.355 5.326 1.00 1.13 O ATOM 1010 CB ARG A 61 10.559 9.388 6.527 1.00 24.11 C ATOM 1011 CG ARG A 61 9.121 9.897 6.374 1.00 61.03 C ATOM 1012 CD ARG A 61 9.033 11.209 5.588 1.00 63.10 C ATOM 1013 NE ARG A 61 9.486 11.078 4.203 1.00 63.33 N ATOM 1014 CZ ARG A 61 9.894 12.073 3.463 1.00 21.41 C ATOM 1015 NH1 ARG A 61 9.859 13.289 3.907 1.00 72.10 N ATOM 1016 NH2 ARG A 61 10.320 11.848 2.266 1.00 32.44 N ATOM 0 H ARG A 61 10.275 7.045 5.265 1.00 22.31 H new ATOM 0 HA ARG A 61 11.193 9.763 4.508 1.00 65.11 H new ATOM 0 HB2 ARG A 61 10.565 8.556 7.231 1.00 24.11 H new ATOM 0 HB3 ARG A 61 11.168 10.179 6.964 1.00 24.11 H new ATOM 0 HG2 ARG A 61 8.524 9.137 5.870 1.00 61.03 H new ATOM 0 HG3 ARG A 61 8.685 10.042 7.363 1.00 61.03 H new ATOM 0 HD2 ARG A 61 8.002 11.562 5.595 1.00 63.10 H new ATOM 0 HD3 ARG A 61 9.633 11.968 6.090 1.00 63.10 H new ATOM 0 HE ARG A 61 9.483 10.146 3.788 1.00 63.33 H new ATOM 0 HH11 ARG A 61 9.509 13.479 4.846 1.00 72.10 H new ATOM 0 HH12 ARG A 61 10.181 14.057 3.318 1.00 72.10 H new ATOM 0 HH21 ARG A 61 10.337 10.896 1.901 1.00 32.44 H new ATOM 0 HH22 ARG A 61 10.640 12.623 1.684 1.00 32.44 H new ATOM 1030 N ASN A 62 12.895 7.257 5.771 1.00 45.32 N ATOM 1031 CA ASN A 62 14.247 6.720 5.962 1.00 52.45 C ATOM 1032 C ASN A 62 14.708 5.919 4.728 1.00 14.52 C ATOM 1033 O ASN A 62 14.117 4.891 4.392 1.00 3.52 O ATOM 1034 CB ASN A 62 14.285 5.823 7.206 1.00 4.01 C ATOM 1035 CG ASN A 62 15.688 5.336 7.530 1.00 51.42 C ATOM 1036 OD1 ASN A 62 16.676 5.999 7.235 1.00 34.12 O ATOM 1037 ND2 ASN A 62 15.790 4.178 8.149 1.00 74.02 N ATOM 0 H ASN A 62 12.151 6.573 5.909 1.00 45.32 H new ATOM 0 HA ASN A 62 14.927 7.561 6.098 1.00 52.45 H new ATOM 0 HB2 ASN A 62 13.889 6.374 8.059 1.00 4.01 H new ATOM 0 HB3 ASN A 62 13.633 4.964 7.050 1.00 4.01 H new ATOM 0 HD21 ASN A 62 16.709 3.811 8.396 1.00 74.02 H new ATOM 0 HD22 ASN A 62 14.950 3.648 8.382 1.00 74.02 H new ATOM 1044 N PRO A 63 15.780 6.370 4.043 1.00 0.24 N ATOM 1045 CA PRO A 63 16.310 5.680 2.846 1.00 61.53 C ATOM 1046 C PRO A 63 16.911 4.296 3.157 1.00 63.34 C ATOM 1047 O PRO A 63 17.156 3.496 2.252 1.00 33.13 O ATOM 1048 CB PRO A 63 17.393 6.642 2.333 1.00 73.43 C ATOM 1049 CG PRO A 63 17.797 7.439 3.530 1.00 43.15 C ATOM 1050 CD PRO A 63 16.554 7.586 4.366 1.00 25.41 C ATOM 0 HA PRO A 63 15.522 5.473 2.122 1.00 61.53 H new ATOM 0 HB2 PRO A 63 18.240 6.097 1.917 1.00 73.43 H new ATOM 0 HB3 PRO A 63 17.008 7.285 1.542 1.00 73.43 H new ATOM 0 HG2 PRO A 63 18.585 6.934 4.088 1.00 43.15 H new ATOM 0 HG3 PRO A 63 18.188 8.413 3.237 1.00 43.15 H new ATOM 0 HD2 PRO A 63 16.789 7.643 5.429 1.00 25.41 H new ATOM 0 HD3 PRO A 63 16.004 8.492 4.112 1.00 25.41 H new ATOM 1058 N ASP A 64 17.148 4.020 4.435 1.00 31.03 N ATOM 1059 CA ASP A 64 17.719 2.738 4.865 1.00 44.33 C ATOM 1060 C ASP A 64 16.667 1.608 4.857 1.00 32.42 C ATOM 1061 O ASP A 64 16.984 0.456 4.560 1.00 13.03 O ATOM 1062 CB ASP A 64 18.334 2.899 6.260 1.00 53.41 C ATOM 1063 CG ASP A 64 18.862 1.599 6.845 1.00 34.34 C ATOM 1064 OD1 ASP A 64 19.752 0.978 6.231 1.00 55.41 O ATOM 1065 OD2 ASP A 64 18.407 1.208 7.943 1.00 52.12 O ATOM 0 H ASP A 64 16.954 4.668 5.199 1.00 31.03 H new ATOM 0 HA ASP A 64 18.495 2.452 4.155 1.00 44.33 H new ATOM 0 HB2 ASP A 64 19.148 3.622 6.208 1.00 53.41 H new ATOM 0 HB3 ASP A 64 17.583 3.313 6.934 1.00 53.41 H new ATOM 1070 N ASP A 65 15.414 1.939 5.171 1.00 62.54 N ATOM 1071 CA ASP A 65 14.340 0.936 5.198 1.00 11.02 C ATOM 1072 C ASP A 65 13.863 0.560 3.781 1.00 21.23 C ATOM 1073 O ASP A 65 13.161 -0.439 3.602 1.00 21.34 O ATOM 1074 CB ASP A 65 13.162 1.433 6.046 1.00 2.10 C ATOM 1075 CG ASP A 65 13.548 1.645 7.502 1.00 21.44 C ATOM 1076 OD1 ASP A 65 14.117 0.717 8.109 1.00 34.43 O ATOM 1077 OD2 ASP A 65 13.291 2.742 8.046 1.00 41.53 O ATOM 0 H ASP A 65 15.116 2.885 5.409 1.00 62.54 H new ATOM 0 HA ASP A 65 14.750 0.034 5.653 1.00 11.02 H new ATOM 0 HB2 ASP A 65 12.788 2.369 5.631 1.00 2.10 H new ATOM 0 HB3 ASP A 65 12.347 0.712 5.990 1.00 2.10 H new ATOM 1082 N ILE A 66 14.259 1.348 2.777 1.00 14.31 N ATOM 1083 CA ILE A 66 13.885 1.077 1.380 1.00 3.12 C ATOM 1084 C ILE A 66 14.378 -0.309 0.921 1.00 63.54 C ATOM 1085 O ILE A 66 13.587 -1.157 0.497 1.00 60.52 O ATOM 1086 CB ILE A 66 14.440 2.161 0.417 1.00 65.41 C ATOM 1087 CG1 ILE A 66 13.898 3.552 0.802 1.00 21.03 C ATOM 1088 CG2 ILE A 66 14.084 1.822 -1.033 1.00 12.24 C ATOM 1089 CD1 ILE A 66 14.334 4.667 -0.129 1.00 75.00 C ATOM 0 H ILE A 66 14.838 2.178 2.902 1.00 14.31 H new ATOM 0 HA ILE A 66 12.796 1.097 1.343 1.00 3.12 H new ATOM 0 HB ILE A 66 15.526 2.181 0.506 1.00 65.41 H new ATOM 0 HG12 ILE A 66 12.809 3.513 0.820 1.00 21.03 H new ATOM 0 HG13 ILE A 66 14.225 3.790 1.814 1.00 21.03 H new ATOM 0 HG21 ILE A 66 14.481 2.592 -1.695 1.00 12.24 H new ATOM 0 HG22 ILE A 66 14.517 0.858 -1.298 1.00 12.24 H new ATOM 0 HG23 ILE A 66 13.000 1.775 -1.140 1.00 12.24 H new ATOM 0 HD11 ILE A 66 13.910 5.612 0.211 1.00 75.00 H new ATOM 0 HD12 ILE A 66 15.422 4.736 -0.129 1.00 75.00 H new ATOM 0 HD13 ILE A 66 13.984 4.455 -1.139 1.00 75.00 H new ATOM 1101 N LEU A 67 15.687 -0.538 1.028 1.00 63.43 N ATOM 1102 CA LEU A 67 16.292 -1.818 0.628 1.00 70.20 C ATOM 1103 C LEU A 67 15.898 -2.970 1.572 1.00 52.45 C ATOM 1104 O LEU A 67 16.155 -4.139 1.285 1.00 74.52 O ATOM 1105 CB LEU A 67 17.825 -1.672 0.544 1.00 13.41 C ATOM 1106 CG LEU A 67 18.521 -1.013 1.761 1.00 1.10 C ATOM 1107 CD1 LEU A 67 18.563 -1.950 2.969 1.00 25.34 C ATOM 1108 CD2 LEU A 67 19.930 -0.552 1.389 1.00 12.03 C ATOM 0 H LEU A 67 16.354 0.145 1.388 1.00 63.43 H new ATOM 0 HA LEU A 67 15.904 -2.076 -0.357 1.00 70.20 H new ATOM 0 HB2 LEU A 67 18.255 -2.663 0.399 1.00 13.41 H new ATOM 0 HB3 LEU A 67 18.065 -1.088 -0.344 1.00 13.41 H new ATOM 0 HG LEU A 67 17.930 -0.142 2.044 1.00 1.10 H new ATOM 0 HD11 LEU A 67 19.059 -1.450 3.801 1.00 25.34 H new ATOM 0 HD12 LEU A 67 17.546 -2.215 3.259 1.00 25.34 H new ATOM 0 HD13 LEU A 67 19.114 -2.854 2.709 1.00 25.34 H new ATOM 0 HD21 LEU A 67 20.403 -0.092 2.256 1.00 12.03 H new ATOM 0 HD22 LEU A 67 20.520 -1.410 1.066 1.00 12.03 H new ATOM 0 HD23 LEU A 67 19.873 0.175 0.579 1.00 12.03 H new ATOM 1120 N LEU A 68 15.276 -2.627 2.695 1.00 41.20 N ATOM 1121 CA LEU A 68 14.814 -3.617 3.672 1.00 31.11 C ATOM 1122 C LEU A 68 13.421 -4.162 3.309 1.00 4.22 C ATOM 1123 O LEU A 68 13.263 -5.347 2.994 1.00 4.13 O ATOM 1124 CB LEU A 68 14.782 -2.986 5.075 1.00 25.45 C ATOM 1125 CG LEU A 68 14.100 -3.825 6.171 1.00 24.42 C ATOM 1126 CD1 LEU A 68 14.799 -5.172 6.349 1.00 31.31 C ATOM 1127 CD2 LEU A 68 14.061 -3.057 7.492 1.00 41.30 C ATOM 0 H LEU A 68 15.077 -1.661 2.956 1.00 41.20 H new ATOM 0 HA LEU A 68 15.512 -4.454 3.661 1.00 31.11 H new ATOM 0 HB2 LEU A 68 15.807 -2.782 5.385 1.00 25.45 H new ATOM 0 HB3 LEU A 68 14.272 -2.025 5.009 1.00 25.45 H new ATOM 0 HG LEU A 68 13.075 -4.019 5.856 1.00 24.42 H new ATOM 0 HD11 LEU A 68 14.296 -5.743 7.129 1.00 31.31 H new ATOM 0 HD12 LEU A 68 14.762 -5.728 5.412 1.00 31.31 H new ATOM 0 HD13 LEU A 68 15.839 -5.008 6.633 1.00 31.31 H new ATOM 0 HD21 LEU A 68 13.575 -3.667 8.253 1.00 41.30 H new ATOM 0 HD22 LEU A 68 15.078 -2.824 7.808 1.00 41.30 H new ATOM 0 HD23 LEU A 68 13.502 -2.131 7.358 1.00 41.30 H new ATOM 1139 N PHE A 69 12.417 -3.288 3.341 1.00 0.54 N ATOM 1140 CA PHE A 69 11.023 -3.700 3.147 1.00 14.35 C ATOM 1141 C PHE A 69 10.711 -4.112 1.700 1.00 41.24 C ATOM 1142 O PHE A 69 10.072 -5.143 1.477 1.00 24.11 O ATOM 1143 CB PHE A 69 10.078 -2.589 3.614 1.00 1.42 C ATOM 1144 CG PHE A 69 9.787 -2.648 5.091 1.00 0.31 C ATOM 1145 CD1 PHE A 69 10.655 -2.083 6.015 1.00 63.13 C ATOM 1146 CD2 PHE A 69 8.644 -3.283 5.553 1.00 41.34 C ATOM 1147 CE1 PHE A 69 10.384 -2.153 7.369 1.00 53.35 C ATOM 1148 CE2 PHE A 69 8.370 -3.353 6.903 1.00 30.31 C ATOM 1149 CZ PHE A 69 9.241 -2.788 7.813 1.00 64.44 C ATOM 0 H PHE A 69 12.540 -2.288 3.500 1.00 0.54 H new ATOM 0 HA PHE A 69 10.866 -4.590 3.756 1.00 14.35 H new ATOM 0 HB2 PHE A 69 10.517 -1.621 3.374 1.00 1.42 H new ATOM 0 HB3 PHE A 69 9.141 -2.660 3.061 1.00 1.42 H new ATOM 0 HD1 PHE A 69 11.550 -1.584 5.673 1.00 63.13 H new ATOM 0 HD2 PHE A 69 7.959 -3.729 4.846 1.00 41.34 H new ATOM 0 HE1 PHE A 69 11.067 -1.711 8.080 1.00 53.35 H new ATOM 0 HE2 PHE A 69 7.475 -3.849 7.248 1.00 30.31 H new ATOM 0 HZ PHE A 69 9.029 -2.843 8.871 1.00 64.44 H new ATOM 1159 N ARG A 70 11.151 -3.327 0.712 1.00 41.45 N ATOM 1160 CA ARG A 70 10.905 -3.683 -0.693 1.00 13.44 C ATOM 1161 C ARG A 70 11.435 -5.093 -0.991 1.00 42.24 C ATOM 1162 O ARG A 70 10.765 -5.910 -1.618 1.00 45.41 O ATOM 1163 CB ARG A 70 11.577 -2.696 -1.656 1.00 71.14 C ATOM 1164 CG ARG A 70 11.239 -2.990 -3.117 1.00 41.04 C ATOM 1165 CD ARG A 70 12.282 -2.459 -4.092 1.00 32.35 C ATOM 1166 NE ARG A 70 11.934 -2.807 -5.468 1.00 65.12 N ATOM 1167 CZ ARG A 70 11.954 -4.027 -5.951 1.00 53.01 C ATOM 1168 NH1 ARG A 70 12.434 -5.014 -5.261 1.00 53.41 N ATOM 1169 NH2 ARG A 70 11.513 -4.255 -7.141 1.00 13.22 N ATOM 0 H ARG A 70 11.668 -2.459 0.851 1.00 41.45 H new ATOM 0 HA ARG A 70 9.826 -3.646 -0.845 1.00 13.44 H new ATOM 0 HB2 ARG A 70 11.264 -1.681 -1.410 1.00 71.14 H new ATOM 0 HB3 ARG A 70 12.658 -2.738 -1.520 1.00 71.14 H new ATOM 0 HG2 ARG A 70 11.141 -4.067 -3.251 1.00 41.04 H new ATOM 0 HG3 ARG A 70 10.271 -2.550 -3.355 1.00 41.04 H new ATOM 0 HD2 ARG A 70 12.359 -1.376 -3.995 1.00 32.35 H new ATOM 0 HD3 ARG A 70 13.260 -2.871 -3.845 1.00 32.35 H new ATOM 0 HE ARG A 70 11.657 -2.051 -6.095 1.00 65.12 H new ATOM 0 HH11 ARG A 70 12.805 -4.849 -4.325 1.00 53.41 H new ATOM 0 HH12 ARG A 70 12.441 -5.955 -5.654 1.00 53.41 H new ATOM 0 HH21 ARG A 70 11.149 -3.488 -7.706 1.00 13.22 H new ATOM 0 HH22 ARG A 70 11.528 -5.203 -7.518 1.00 13.22 H new ATOM 1183 N ASP A 71 12.645 -5.359 -0.513 1.00 22.52 N ATOM 1184 CA ASP A 71 13.315 -6.643 -0.719 1.00 52.51 C ATOM 1185 C ASP A 71 12.450 -7.831 -0.254 1.00 21.12 C ATOM 1186 O ASP A 71 12.384 -8.866 -0.921 1.00 30.23 O ATOM 1187 CB ASP A 71 14.656 -6.626 0.024 1.00 45.50 C ATOM 1188 CG ASP A 71 15.385 -7.955 -0.029 1.00 55.12 C ATOM 1189 OD1 ASP A 71 16.101 -8.216 -1.023 1.00 41.02 O ATOM 1190 OD2 ASP A 71 15.256 -8.744 0.926 1.00 61.11 O ATOM 0 H ASP A 71 13.192 -4.691 0.030 1.00 22.52 H new ATOM 0 HA ASP A 71 13.482 -6.779 -1.788 1.00 52.51 H new ATOM 0 HB2 ASP A 71 15.292 -5.852 -0.406 1.00 45.50 H new ATOM 0 HB3 ASP A 71 14.484 -6.355 1.066 1.00 45.50 H new ATOM 1195 N ARG A 72 11.783 -7.676 0.888 1.00 42.43 N ATOM 1196 CA ARG A 72 10.967 -8.756 1.459 1.00 30.11 C ATOM 1197 C ARG A 72 9.496 -8.703 0.996 1.00 41.54 C ATOM 1198 O ARG A 72 8.751 -9.666 1.180 1.00 43.02 O ATOM 1199 CB ARG A 72 11.025 -8.718 2.996 1.00 23.01 C ATOM 1200 CG ARG A 72 10.615 -7.377 3.611 1.00 31.22 C ATOM 1201 CD ARG A 72 10.214 -7.522 5.078 1.00 21.14 C ATOM 1202 NE ARG A 72 9.055 -8.405 5.218 1.00 43.30 N ATOM 1203 CZ ARG A 72 8.312 -8.509 6.286 1.00 22.23 C ATOM 1204 NH1 ARG A 72 8.578 -7.834 7.357 1.00 2.34 N ATOM 1205 NH2 ARG A 72 7.298 -9.309 6.278 1.00 11.12 N ATOM 0 H ARG A 72 11.789 -6.817 1.438 1.00 42.43 H new ATOM 0 HA ARG A 72 11.391 -9.691 1.094 1.00 30.11 H new ATOM 0 HB2 ARG A 72 10.376 -9.499 3.391 1.00 23.01 H new ATOM 0 HB3 ARG A 72 12.040 -8.955 3.315 1.00 23.01 H new ATOM 0 HG2 ARG A 72 11.442 -6.672 3.529 1.00 31.22 H new ATOM 0 HG3 ARG A 72 9.782 -6.958 3.047 1.00 31.22 H new ATOM 0 HD2 ARG A 72 11.051 -7.921 5.650 1.00 21.14 H new ATOM 0 HD3 ARG A 72 9.982 -6.542 5.494 1.00 21.14 H new ATOM 0 HE ARG A 72 8.808 -8.986 4.417 1.00 43.30 H new ATOM 0 HH11 ARG A 72 9.381 -7.206 7.378 1.00 2.34 H new ATOM 0 HH12 ARG A 72 7.984 -7.930 8.181 1.00 2.34 H new ATOM 0 HH21 ARG A 72 7.084 -9.853 5.442 1.00 11.12 H new ATOM 0 HH22 ARG A 72 6.711 -9.397 7.108 1.00 11.12 H new ATOM 1219 N PHE A 73 9.071 -7.586 0.404 1.00 15.03 N ATOM 1220 CA PHE A 73 7.659 -7.418 0.011 1.00 14.20 C ATOM 1221 C PHE A 73 7.424 -7.503 -1.511 1.00 5.41 C ATOM 1222 O PHE A 73 6.297 -7.750 -1.939 1.00 64.13 O ATOM 1223 CB PHE A 73 7.095 -6.098 0.563 1.00 40.14 C ATOM 1224 CG PHE A 73 6.538 -6.220 1.963 1.00 75.40 C ATOM 1225 CD1 PHE A 73 5.269 -6.745 2.168 1.00 33.41 C ATOM 1226 CD2 PHE A 73 7.270 -5.806 3.068 1.00 53.45 C ATOM 1227 CE1 PHE A 73 4.744 -6.858 3.439 1.00 54.20 C ATOM 1228 CE2 PHE A 73 6.746 -5.918 4.343 1.00 42.43 C ATOM 1229 CZ PHE A 73 5.484 -6.444 4.529 1.00 20.40 C ATOM 0 H PHE A 73 9.670 -6.790 0.186 1.00 15.03 H new ATOM 0 HA PHE A 73 7.124 -8.259 0.452 1.00 14.20 H new ATOM 0 HB2 PHE A 73 7.883 -5.345 0.558 1.00 40.14 H new ATOM 0 HB3 PHE A 73 6.309 -5.741 -0.103 1.00 40.14 H new ATOM 0 HD1 PHE A 73 4.684 -7.070 1.320 1.00 33.41 H new ATOM 0 HD2 PHE A 73 8.258 -5.393 2.930 1.00 53.45 H new ATOM 0 HE1 PHE A 73 3.756 -7.270 3.581 1.00 54.20 H new ATOM 0 HE2 PHE A 73 7.326 -5.593 5.194 1.00 42.43 H new ATOM 0 HZ PHE A 73 5.076 -6.532 5.525 1.00 20.40 H new ATOM 1239 N ASP A 74 8.460 -7.315 -2.328 1.00 44.41 N ATOM 1240 CA ASP A 74 8.280 -7.358 -3.786 1.00 75.53 C ATOM 1241 C ASP A 74 7.924 -8.779 -4.258 1.00 53.55 C ATOM 1242 O ASP A 74 8.797 -9.638 -4.433 1.00 60.12 O ATOM 1243 CB ASP A 74 9.527 -6.842 -4.519 1.00 43.34 C ATOM 1244 CG ASP A 74 9.305 -6.721 -6.021 1.00 14.51 C ATOM 1245 OD1 ASP A 74 8.145 -6.503 -6.443 1.00 55.43 O ATOM 1246 OD2 ASP A 74 10.279 -6.832 -6.789 1.00 74.45 O ATOM 0 H ASP A 74 9.415 -7.135 -2.018 1.00 44.41 H new ATOM 0 HA ASP A 74 7.448 -6.698 -4.032 1.00 75.53 H new ATOM 0 HB2 ASP A 74 9.806 -5.869 -4.116 1.00 43.34 H new ATOM 0 HB3 ASP A 74 10.362 -7.517 -4.330 1.00 43.34 H new ATOM 1251 N GLY A 75 6.627 -9.015 -4.450 1.00 3.20 N ATOM 1252 CA GLY A 75 6.129 -10.335 -4.828 1.00 53.43 C ATOM 1253 C GLY A 75 5.517 -11.081 -3.649 1.00 43.31 C ATOM 1254 O GLY A 75 5.625 -12.301 -3.549 1.00 55.21 O ATOM 0 H GLY A 75 5.901 -8.306 -4.349 1.00 3.20 H new ATOM 0 HA2 GLY A 75 5.382 -10.228 -5.615 1.00 53.43 H new ATOM 0 HA3 GLY A 75 6.947 -10.924 -5.243 1.00 53.43 H new ATOM 1258 N TYR A 76 4.874 -10.339 -2.754 1.00 4.14 N ATOM 1259 CA TYR A 76 4.251 -10.910 -1.556 1.00 51.32 C ATOM 1260 C TYR A 76 2.757 -11.212 -1.790 1.00 31.22 C ATOM 1261 O TYR A 76 1.947 -10.306 -1.982 1.00 44.14 O ATOM 1262 CB TYR A 76 4.468 -9.936 -0.380 1.00 2.23 C ATOM 1263 CG TYR A 76 3.410 -9.962 0.708 1.00 22.41 C ATOM 1264 CD1 TYR A 76 3.264 -11.050 1.563 1.00 63.11 C ATOM 1265 CD2 TYR A 76 2.566 -8.874 0.883 1.00 4.44 C ATOM 1266 CE1 TYR A 76 2.306 -11.048 2.560 1.00 20.32 C ATOM 1267 CE2 TYR A 76 1.613 -8.861 1.874 1.00 43.34 C ATOM 1268 CZ TYR A 76 1.483 -9.950 2.712 1.00 25.03 C ATOM 1269 OH TYR A 76 0.533 -9.936 3.708 1.00 71.04 O ATOM 0 H TYR A 76 4.768 -9.328 -2.834 1.00 4.14 H new ATOM 0 HA TYR A 76 4.718 -11.866 -1.317 1.00 51.32 H new ATOM 0 HB2 TYR A 76 5.434 -10.156 0.075 1.00 2.23 H new ATOM 0 HB3 TYR A 76 4.526 -8.923 -0.779 1.00 2.23 H new ATOM 0 HD1 TYR A 76 3.908 -11.909 1.446 1.00 63.11 H new ATOM 0 HD2 TYR A 76 2.660 -8.021 0.228 1.00 4.44 H new ATOM 0 HE1 TYR A 76 2.202 -11.900 3.216 1.00 20.32 H new ATOM 0 HE2 TYR A 76 0.969 -8.003 1.996 1.00 43.34 H new ATOM 0 HH TYR A 76 -0.275 -9.487 3.383 1.00 71.04 H new ATOM 1279 N ILE A 77 2.407 -12.499 -1.789 1.00 54.32 N ATOM 1280 CA ILE A 77 1.019 -12.927 -2.012 1.00 63.55 C ATOM 1281 C ILE A 77 0.175 -12.804 -0.732 1.00 41.10 C ATOM 1282 O ILE A 77 0.339 -13.576 0.214 1.00 32.33 O ATOM 1283 CB ILE A 77 0.948 -14.392 -2.526 1.00 53.23 C ATOM 1284 CG1 ILE A 77 1.736 -14.551 -3.841 1.00 25.22 C ATOM 1285 CG2 ILE A 77 -0.508 -14.836 -2.712 1.00 34.11 C ATOM 1286 CD1 ILE A 77 1.154 -13.785 -5.009 1.00 64.15 C ATOM 0 H ILE A 77 3.063 -13.265 -1.637 1.00 54.32 H new ATOM 0 HA ILE A 77 0.611 -12.261 -2.773 1.00 63.55 H new ATOM 0 HB ILE A 77 1.406 -15.034 -1.774 1.00 53.23 H new ATOM 0 HG12 ILE A 77 2.762 -14.220 -3.679 1.00 25.22 H new ATOM 0 HG13 ILE A 77 1.779 -15.609 -4.100 1.00 25.22 H new ATOM 0 HG21 ILE A 77 -0.532 -15.864 -3.072 1.00 34.11 H new ATOM 0 HG22 ILE A 77 -1.032 -14.774 -1.758 1.00 34.11 H new ATOM 0 HG23 ILE A 77 -0.997 -14.186 -3.438 1.00 34.11 H new ATOM 0 HD11 ILE A 77 1.767 -13.951 -5.895 1.00 64.15 H new ATOM 0 HD12 ILE A 77 0.138 -14.131 -5.201 1.00 64.15 H new ATOM 0 HD13 ILE A 77 1.136 -12.721 -4.774 1.00 64.15 H new ATOM 1298 N PHE A 78 -0.716 -11.820 -0.708 1.00 31.00 N ATOM 1299 CA PHE A 78 -1.662 -11.645 0.401 1.00 22.35 C ATOM 1300 C PHE A 78 -3.050 -12.192 0.026 1.00 52.12 C ATOM 1301 O PHE A 78 -3.466 -12.107 -1.127 1.00 75.41 O ATOM 1302 CB PHE A 78 -1.753 -10.158 0.782 1.00 34.34 C ATOM 1303 CG PHE A 78 -2.812 -9.851 1.814 1.00 1.04 C ATOM 1304 CD1 PHE A 78 -2.606 -10.142 3.156 1.00 63.44 C ATOM 1305 CD2 PHE A 78 -4.016 -9.275 1.437 1.00 35.53 C ATOM 1306 CE1 PHE A 78 -3.579 -9.864 4.096 1.00 31.22 C ATOM 1307 CE2 PHE A 78 -4.990 -8.997 2.373 1.00 75.24 C ATOM 1308 CZ PHE A 78 -4.772 -9.291 3.706 1.00 31.02 C ATOM 0 H PHE A 78 -0.808 -11.123 -1.447 1.00 31.00 H new ATOM 0 HA PHE A 78 -1.299 -12.208 1.261 1.00 22.35 H new ATOM 0 HB2 PHE A 78 -0.785 -9.831 1.162 1.00 34.34 H new ATOM 0 HB3 PHE A 78 -1.956 -9.575 -0.116 1.00 34.34 H new ATOM 0 HD1 PHE A 78 -1.675 -10.591 3.468 1.00 63.44 H new ATOM 0 HD2 PHE A 78 -4.193 -9.041 0.398 1.00 35.53 H new ATOM 0 HE1 PHE A 78 -3.406 -10.095 5.137 1.00 31.22 H new ATOM 0 HE2 PHE A 78 -5.923 -8.550 2.064 1.00 75.24 H new ATOM 0 HZ PHE A 78 -5.533 -9.073 4.440 1.00 31.02 H new ATOM 1318 N LEU A 79 -3.761 -12.759 0.999 1.00 32.14 N ATOM 1319 CA LEU A 79 -5.094 -13.325 0.751 1.00 55.11 C ATOM 1320 C LEU A 79 -6.183 -12.684 1.628 1.00 65.30 C ATOM 1321 O LEU A 79 -6.008 -12.505 2.834 1.00 23.33 O ATOM 1322 CB LEU A 79 -5.065 -14.845 0.980 1.00 13.14 C ATOM 1323 CG LEU A 79 -4.316 -15.656 -0.091 1.00 31.14 C ATOM 1324 CD1 LEU A 79 -4.049 -17.074 0.401 1.00 71.42 C ATOM 1325 CD2 LEU A 79 -5.108 -15.682 -1.396 1.00 63.35 C ATOM 0 H LEU A 79 -3.442 -12.841 1.964 1.00 32.14 H new ATOM 0 HA LEU A 79 -5.349 -13.107 -0.286 1.00 55.11 H new ATOM 0 HB2 LEU A 79 -4.605 -15.041 1.949 1.00 13.14 H new ATOM 0 HB3 LEU A 79 -6.092 -15.207 1.035 1.00 13.14 H new ATOM 0 HG LEU A 79 -3.358 -15.172 -0.280 1.00 31.14 H new ATOM 0 HD11 LEU A 79 -3.518 -17.633 -0.370 1.00 71.42 H new ATOM 0 HD12 LEU A 79 -3.442 -17.037 1.305 1.00 71.42 H new ATOM 0 HD13 LEU A 79 -4.996 -17.568 0.620 1.00 71.42 H new ATOM 0 HD21 LEU A 79 -4.562 -16.260 -2.141 1.00 63.35 H new ATOM 0 HD22 LEU A 79 -6.081 -16.141 -1.222 1.00 63.35 H new ATOM 0 HD23 LEU A 79 -5.247 -14.663 -1.758 1.00 63.35 H new ATOM 1337 N ASP A 80 -7.306 -12.336 1.000 1.00 14.24 N ATOM 1338 CA ASP A 80 -8.489 -11.845 1.717 1.00 1.42 C ATOM 1339 C ASP A 80 -9.316 -13.017 2.282 1.00 53.41 C ATOM 1340 O ASP A 80 -9.075 -14.175 1.941 1.00 62.45 O ATOM 1341 CB ASP A 80 -9.343 -10.987 0.769 1.00 60.52 C ATOM 1342 CG ASP A 80 -10.686 -10.611 1.364 1.00 71.21 C ATOM 1343 OD1 ASP A 80 -10.712 -9.821 2.325 1.00 72.25 O ATOM 1344 OD2 ASP A 80 -11.713 -11.141 0.895 1.00 5.30 O ATOM 0 H ASP A 80 -7.424 -12.385 -0.012 1.00 14.24 H new ATOM 0 HA ASP A 80 -8.163 -11.234 2.558 1.00 1.42 H new ATOM 0 HB2 ASP A 80 -8.796 -10.079 0.517 1.00 60.52 H new ATOM 0 HB3 ASP A 80 -9.503 -11.532 -0.161 1.00 60.52 H new ATOM 1349 N SER A 81 -10.290 -12.711 3.140 1.00 31.35 N ATOM 1350 CA SER A 81 -11.174 -13.731 3.728 1.00 2.23 C ATOM 1351 C SER A 81 -11.929 -14.538 2.656 1.00 12.14 C ATOM 1352 O SER A 81 -12.335 -15.676 2.896 1.00 43.01 O ATOM 1353 CB SER A 81 -12.183 -13.075 4.679 1.00 32.10 C ATOM 1354 OG SER A 81 -11.521 -12.384 5.727 1.00 0.04 O ATOM 0 H SER A 81 -10.491 -11.760 3.448 1.00 31.35 H new ATOM 0 HA SER A 81 -10.538 -14.423 4.280 1.00 2.23 H new ATOM 0 HB2 SER A 81 -12.814 -12.381 4.123 1.00 32.10 H new ATOM 0 HB3 SER A 81 -12.840 -13.837 5.099 1.00 32.10 H new ATOM 0 HG SER A 81 -12.185 -11.973 6.319 1.00 0.04 H new ATOM 1360 N LYS A 82 -12.130 -13.942 1.482 1.00 25.45 N ATOM 1361 CA LYS A 82 -12.783 -14.627 0.354 1.00 3.23 C ATOM 1362 C LYS A 82 -11.776 -15.436 -0.483 1.00 73.13 C ATOM 1363 O LYS A 82 -12.130 -16.007 -1.516 1.00 2.15 O ATOM 1364 CB LYS A 82 -13.497 -13.602 -0.542 1.00 71.41 C ATOM 1365 CG LYS A 82 -14.637 -12.864 0.151 1.00 3.33 C ATOM 1366 CD LYS A 82 -15.794 -13.798 0.496 1.00 22.04 C ATOM 1367 CE LYS A 82 -16.903 -13.076 1.250 1.00 70.12 C ATOM 1368 NZ LYS A 82 -18.071 -13.965 1.491 1.00 1.11 N ATOM 0 H LYS A 82 -11.851 -12.982 1.281 1.00 25.45 H new ATOM 0 HA LYS A 82 -13.511 -15.324 0.769 1.00 3.23 H new ATOM 0 HB2 LYS A 82 -12.768 -12.873 -0.896 1.00 71.41 H new ATOM 0 HB3 LYS A 82 -13.889 -14.113 -1.421 1.00 71.41 H new ATOM 0 HG2 LYS A 82 -14.265 -12.395 1.062 1.00 3.33 H new ATOM 0 HG3 LYS A 82 -14.997 -12.064 -0.495 1.00 3.33 H new ATOM 0 HD2 LYS A 82 -16.199 -14.228 -0.420 1.00 22.04 H new ATOM 0 HD3 LYS A 82 -15.424 -14.626 1.100 1.00 22.04 H new ATOM 0 HE2 LYS A 82 -16.519 -12.713 2.203 1.00 70.12 H new ATOM 0 HE3 LYS A 82 -17.221 -12.202 0.681 1.00 70.12 H new ATOM 0 HZ1 LYS A 82 -18.806 -13.440 2.006 1.00 1.11 H new ATOM 0 HZ2 LYS A 82 -18.453 -14.291 0.580 1.00 1.11 H new ATOM 0 HZ3 LYS A 82 -17.772 -14.786 2.055 1.00 1.11 H new ATOM 1382 N GLY A 83 -10.526 -15.485 -0.028 1.00 13.34 N ATOM 1383 CA GLY A 83 -9.482 -16.213 -0.747 1.00 1.31 C ATOM 1384 C GLY A 83 -8.960 -15.466 -1.971 1.00 14.45 C ATOM 1385 O GLY A 83 -8.429 -16.075 -2.898 1.00 12.53 O ATOM 0 H GLY A 83 -10.212 -15.032 0.830 1.00 13.34 H new ATOM 0 HA2 GLY A 83 -8.652 -16.409 -0.068 1.00 1.31 H new ATOM 0 HA3 GLY A 83 -9.873 -17.181 -1.060 1.00 1.31 H new ATOM 1389 N LEU A 84 -9.108 -14.143 -1.975 1.00 34.44 N ATOM 1390 CA LEU A 84 -8.653 -13.314 -3.099 1.00 60.22 C ATOM 1391 C LEU A 84 -7.121 -13.148 -3.100 1.00 13.42 C ATOM 1392 O LEU A 84 -6.540 -12.674 -2.122 1.00 12.51 O ATOM 1393 CB LEU A 84 -9.331 -11.939 -3.041 1.00 53.10 C ATOM 1394 CG LEU A 84 -10.869 -11.968 -3.116 1.00 25.23 C ATOM 1395 CD1 LEU A 84 -11.447 -10.555 -3.011 1.00 44.15 C ATOM 1396 CD2 LEU A 84 -11.334 -12.657 -4.401 1.00 12.43 C ATOM 0 H LEU A 84 -9.539 -13.618 -1.214 1.00 34.44 H new ATOM 0 HA LEU A 84 -8.932 -13.820 -4.023 1.00 60.22 H new ATOM 0 HB2 LEU A 84 -9.037 -11.444 -2.115 1.00 53.10 H new ATOM 0 HB3 LEU A 84 -8.954 -11.330 -3.862 1.00 53.10 H new ATOM 0 HG LEU A 84 -11.241 -12.545 -2.269 1.00 25.23 H new ATOM 0 HD11 LEU A 84 -12.535 -10.602 -3.067 1.00 44.15 H new ATOM 0 HD12 LEU A 84 -11.151 -10.110 -2.061 1.00 44.15 H new ATOM 0 HD13 LEU A 84 -11.068 -9.945 -3.831 1.00 44.15 H new ATOM 0 HD21 LEU A 84 -12.423 -12.667 -4.435 1.00 12.43 H new ATOM 0 HD22 LEU A 84 -10.949 -12.114 -5.265 1.00 12.43 H new ATOM 0 HD23 LEU A 84 -10.961 -13.681 -4.420 1.00 12.43 H new ATOM 1408 N GLU A 85 -6.483 -13.540 -4.201 1.00 14.44 N ATOM 1409 CA GLU A 85 -5.025 -13.457 -4.344 1.00 72.24 C ATOM 1410 C GLU A 85 -4.558 -12.031 -4.697 1.00 51.40 C ATOM 1411 O GLU A 85 -4.890 -11.495 -5.758 1.00 15.41 O ATOM 1412 CB GLU A 85 -4.547 -14.442 -5.425 1.00 13.41 C ATOM 1413 CG GLU A 85 -4.771 -15.913 -5.071 1.00 63.03 C ATOM 1414 CD GLU A 85 -4.349 -16.867 -6.183 1.00 62.11 C ATOM 1415 OE1 GLU A 85 -3.260 -16.670 -6.765 1.00 22.21 O ATOM 1416 OE2 GLU A 85 -5.108 -17.813 -6.492 1.00 72.50 O ATOM 0 H GLU A 85 -6.957 -13.923 -5.019 1.00 14.44 H new ATOM 0 HA GLU A 85 -4.587 -13.720 -3.381 1.00 72.24 H new ATOM 0 HB2 GLU A 85 -5.065 -14.221 -6.358 1.00 13.41 H new ATOM 0 HB3 GLU A 85 -3.484 -14.280 -5.605 1.00 13.41 H new ATOM 0 HG2 GLU A 85 -4.214 -16.151 -4.165 1.00 63.03 H new ATOM 0 HG3 GLU A 85 -5.826 -16.070 -4.847 1.00 63.03 H new ATOM 1423 N TYR A 86 -3.785 -11.425 -3.795 1.00 22.01 N ATOM 1424 CA TYR A 86 -3.173 -10.110 -4.034 1.00 20.32 C ATOM 1425 C TYR A 86 -1.645 -10.240 -4.175 1.00 52.33 C ATOM 1426 O TYR A 86 -0.940 -10.405 -3.176 1.00 51.33 O ATOM 1427 CB TYR A 86 -3.484 -9.147 -2.877 1.00 63.21 C ATOM 1428 CG TYR A 86 -4.960 -8.985 -2.574 1.00 4.51 C ATOM 1429 CD1 TYR A 86 -5.741 -8.067 -3.267 1.00 12.25 C ATOM 1430 CD2 TYR A 86 -5.570 -9.745 -1.586 1.00 1.33 C ATOM 1431 CE1 TYR A 86 -7.084 -7.914 -2.982 1.00 1.50 C ATOM 1432 CE2 TYR A 86 -6.908 -9.598 -1.298 1.00 31.32 C ATOM 1433 CZ TYR A 86 -7.661 -8.684 -1.997 1.00 45.43 C ATOM 1434 OH TYR A 86 -8.996 -8.536 -1.707 1.00 73.12 O ATOM 0 H TYR A 86 -3.564 -11.825 -2.883 1.00 22.01 H new ATOM 0 HA TYR A 86 -3.592 -9.714 -4.959 1.00 20.32 H new ATOM 0 HB2 TYR A 86 -2.979 -9.503 -1.979 1.00 63.21 H new ATOM 0 HB3 TYR A 86 -3.065 -8.169 -3.112 1.00 63.21 H new ATOM 0 HD1 TYR A 86 -5.290 -7.464 -4.041 1.00 12.25 H new ATOM 0 HD2 TYR A 86 -4.984 -10.465 -1.033 1.00 1.33 H new ATOM 0 HE1 TYR A 86 -7.677 -7.195 -3.528 1.00 1.50 H new ATOM 0 HE2 TYR A 86 -7.365 -10.199 -0.525 1.00 31.32 H new ATOM 0 HH TYR A 86 -9.530 -8.779 -2.492 1.00 73.12 H new ATOM 1444 N PRO A 87 -1.106 -10.186 -5.407 1.00 33.33 N ATOM 1445 CA PRO A 87 0.337 -10.262 -5.632 1.00 72.31 C ATOM 1446 C PRO A 87 1.021 -8.902 -5.436 1.00 11.22 C ATOM 1447 O PRO A 87 1.231 -8.150 -6.390 1.00 52.04 O ATOM 1448 CB PRO A 87 0.457 -10.752 -7.089 1.00 21.44 C ATOM 1449 CG PRO A 87 -0.933 -10.723 -7.670 1.00 64.13 C ATOM 1450 CD PRO A 87 -1.835 -10.040 -6.669 1.00 24.40 C ATOM 0 HA PRO A 87 0.832 -10.925 -4.923 1.00 72.31 H new ATOM 0 HB2 PRO A 87 1.129 -10.110 -7.659 1.00 21.44 H new ATOM 0 HB3 PRO A 87 0.871 -11.760 -7.126 1.00 21.44 H new ATOM 0 HG2 PRO A 87 -0.940 -10.187 -8.619 1.00 64.13 H new ATOM 0 HG3 PRO A 87 -1.284 -11.735 -7.873 1.00 64.13 H new ATOM 0 HD2 PRO A 87 -1.996 -8.992 -6.922 1.00 24.40 H new ATOM 0 HD3 PRO A 87 -2.817 -10.512 -6.624 1.00 24.40 H new ATOM 1458 N ALA A 88 1.347 -8.588 -4.185 1.00 73.54 N ATOM 1459 CA ALA A 88 1.924 -7.289 -3.835 1.00 11.41 C ATOM 1460 C ALA A 88 3.288 -7.055 -4.504 1.00 21.21 C ATOM 1461 O ALA A 88 4.322 -7.500 -4.008 1.00 64.41 O ATOM 1462 CB ALA A 88 2.048 -7.165 -2.319 1.00 1.43 C ATOM 0 H ALA A 88 1.221 -9.217 -3.392 1.00 73.54 H new ATOM 0 HA ALA A 88 1.249 -6.520 -4.210 1.00 11.41 H new ATOM 0 HB1 ALA A 88 2.478 -6.196 -2.067 1.00 1.43 H new ATOM 0 HB2 ALA A 88 1.061 -7.253 -1.865 1.00 1.43 H new ATOM 0 HB3 ALA A 88 2.693 -7.958 -1.941 1.00 1.43 H new ATOM 1468 N VAL A 89 3.273 -6.373 -5.647 1.00 32.44 N ATOM 1469 CA VAL A 89 4.508 -5.982 -6.341 1.00 55.21 C ATOM 1470 C VAL A 89 4.958 -4.583 -5.891 1.00 13.22 C ATOM 1471 O VAL A 89 4.214 -3.609 -6.026 1.00 54.15 O ATOM 1472 CB VAL A 89 4.321 -5.992 -7.881 1.00 54.23 C ATOM 1473 CG1 VAL A 89 5.596 -5.541 -8.595 1.00 13.03 C ATOM 1474 CG2 VAL A 89 3.888 -7.378 -8.360 1.00 73.54 C ATOM 0 H VAL A 89 2.418 -6.076 -6.118 1.00 32.44 H new ATOM 0 HA VAL A 89 5.274 -6.713 -6.080 1.00 55.21 H new ATOM 0 HB VAL A 89 3.533 -5.281 -8.131 1.00 54.23 H new ATOM 0 HG11 VAL A 89 5.435 -5.558 -9.673 1.00 13.03 H new ATOM 0 HG12 VAL A 89 5.849 -4.528 -8.282 1.00 13.03 H new ATOM 0 HG13 VAL A 89 6.414 -6.215 -8.340 1.00 13.03 H new ATOM 0 HG21 VAL A 89 3.762 -7.366 -9.443 1.00 73.54 H new ATOM 0 HG22 VAL A 89 4.650 -8.110 -8.092 1.00 73.54 H new ATOM 0 HG23 VAL A 89 2.943 -7.648 -7.888 1.00 73.54 H new ATOM 1484 N VAL A 90 6.173 -4.485 -5.358 1.00 13.23 N ATOM 1485 CA VAL A 90 6.675 -3.219 -4.811 1.00 3.34 C ATOM 1486 C VAL A 90 7.763 -2.604 -5.708 1.00 53.20 C ATOM 1487 O VAL A 90 8.881 -3.117 -5.790 1.00 5.21 O ATOM 1488 CB VAL A 90 7.247 -3.416 -3.382 1.00 25.52 C ATOM 1489 CG1 VAL A 90 7.679 -2.079 -2.779 1.00 43.42 C ATOM 1490 CG2 VAL A 90 6.229 -4.122 -2.485 1.00 32.20 C ATOM 0 H VAL A 90 6.830 -5.263 -5.291 1.00 13.23 H new ATOM 0 HA VAL A 90 5.826 -2.537 -4.771 1.00 3.34 H new ATOM 0 HB VAL A 90 8.130 -4.050 -3.452 1.00 25.52 H new ATOM 0 HG11 VAL A 90 8.076 -2.243 -1.777 1.00 43.42 H new ATOM 0 HG12 VAL A 90 8.449 -1.629 -3.406 1.00 43.42 H new ATOM 0 HG13 VAL A 90 6.820 -1.410 -2.723 1.00 43.42 H new ATOM 0 HG21 VAL A 90 6.650 -4.250 -1.488 1.00 32.20 H new ATOM 0 HG22 VAL A 90 5.322 -3.521 -2.421 1.00 32.20 H new ATOM 0 HG23 VAL A 90 5.989 -5.098 -2.906 1.00 32.20 H new ATOM 1500 N GLU A 91 7.432 -1.506 -6.383 1.00 41.10 N ATOM 1501 CA GLU A 91 8.404 -0.790 -7.215 1.00 24.05 C ATOM 1502 C GLU A 91 8.640 0.625 -6.671 1.00 74.02 C ATOM 1503 O GLU A 91 7.715 1.279 -6.183 1.00 51.25 O ATOM 1504 CB GLU A 91 7.926 -0.710 -8.674 1.00 53.14 C ATOM 1505 CG GLU A 91 6.650 0.104 -8.868 1.00 75.11 C ATOM 1506 CD GLU A 91 6.387 0.458 -10.323 1.00 71.33 C ATOM 1507 OE1 GLU A 91 6.981 1.440 -10.818 1.00 23.41 O ATOM 1508 OE2 GLU A 91 5.570 -0.229 -10.975 1.00 0.23 O ATOM 0 H GLU A 91 6.500 -1.091 -6.372 1.00 41.10 H new ATOM 0 HA GLU A 91 9.341 -1.345 -7.184 1.00 24.05 H new ATOM 0 HB2 GLU A 91 8.719 -0.273 -9.281 1.00 53.14 H new ATOM 0 HB3 GLU A 91 7.759 -1.721 -9.046 1.00 53.14 H new ATOM 0 HG2 GLU A 91 5.803 -0.460 -8.478 1.00 75.11 H new ATOM 0 HG3 GLU A 91 6.718 1.021 -8.283 1.00 75.11 H new ATOM 1515 N PHE A 92 9.878 1.102 -6.751 1.00 1.34 N ATOM 1516 CA PHE A 92 10.206 2.441 -6.257 1.00 34.44 C ATOM 1517 C PHE A 92 9.621 3.527 -7.173 1.00 54.53 C ATOM 1518 O PHE A 92 9.595 3.380 -8.398 1.00 32.03 O ATOM 1519 CB PHE A 92 11.731 2.621 -6.132 1.00 10.52 C ATOM 1520 CG PHE A 92 12.458 2.700 -7.454 1.00 74.40 C ATOM 1521 CD1 PHE A 92 12.637 1.568 -8.229 1.00 73.41 C ATOM 1522 CD2 PHE A 92 12.963 3.910 -7.916 1.00 64.32 C ATOM 1523 CE1 PHE A 92 13.302 1.636 -9.438 1.00 3.22 C ATOM 1524 CE2 PHE A 92 13.628 3.984 -9.124 1.00 54.02 C ATOM 1525 CZ PHE A 92 13.798 2.844 -9.886 1.00 72.12 C ATOM 0 H PHE A 92 10.666 0.590 -7.148 1.00 1.34 H new ATOM 0 HA PHE A 92 9.759 2.546 -5.268 1.00 34.44 H new ATOM 0 HB2 PHE A 92 11.933 3.530 -5.565 1.00 10.52 H new ATOM 0 HB3 PHE A 92 12.137 1.789 -5.556 1.00 10.52 H new ATOM 0 HD1 PHE A 92 12.252 0.619 -7.885 1.00 73.41 H new ATOM 0 HD2 PHE A 92 12.834 4.803 -7.323 1.00 64.32 H new ATOM 0 HE1 PHE A 92 13.434 0.744 -10.033 1.00 3.22 H new ATOM 0 HE2 PHE A 92 14.014 4.931 -9.472 1.00 54.02 H new ATOM 0 HZ PHE A 92 14.318 2.898 -10.831 1.00 72.12 H new ATOM 1535 N ALA A 93 9.131 4.609 -6.579 1.00 32.21 N ATOM 1536 CA ALA A 93 8.701 5.767 -7.357 1.00 15.35 C ATOM 1537 C ALA A 93 9.930 6.598 -7.752 1.00 62.10 C ATOM 1538 O ALA A 93 10.662 7.085 -6.885 1.00 64.21 O ATOM 1539 CB ALA A 93 7.693 6.600 -6.578 1.00 12.23 C ATOM 0 H ALA A 93 9.022 4.710 -5.570 1.00 32.21 H new ATOM 0 HA ALA A 93 8.202 5.427 -8.264 1.00 15.35 H new ATOM 0 HB1 ALA A 93 7.388 7.457 -7.178 1.00 12.23 H new ATOM 0 HB2 ALA A 93 6.820 5.991 -6.345 1.00 12.23 H new ATOM 0 HB3 ALA A 93 8.149 6.950 -5.652 1.00 12.23 H new ATOM 1545 N PRO A 94 10.174 6.757 -9.065 1.00 12.40 N ATOM 1546 CA PRO A 94 11.430 7.335 -9.584 1.00 15.32 C ATOM 1547 C PRO A 94 11.706 8.776 -9.120 1.00 34.32 C ATOM 1548 O PRO A 94 10.792 9.590 -8.964 1.00 71.02 O ATOM 1549 CB PRO A 94 11.241 7.285 -11.110 1.00 25.35 C ATOM 1550 CG PRO A 94 9.765 7.216 -11.308 1.00 73.05 C ATOM 1551 CD PRO A 94 9.245 6.404 -10.156 1.00 55.34 C ATOM 0 HA PRO A 94 12.292 6.779 -9.216 1.00 15.32 H new ATOM 0 HB2 PRO A 94 11.664 8.167 -11.590 1.00 25.35 H new ATOM 0 HB3 PRO A 94 11.739 6.417 -11.542 1.00 25.35 H new ATOM 0 HG2 PRO A 94 9.323 8.212 -11.317 1.00 73.05 H new ATOM 0 HG3 PRO A 94 9.518 6.749 -12.261 1.00 73.05 H new ATOM 0 HD2 PRO A 94 8.215 6.663 -9.910 1.00 55.34 H new ATOM 0 HD3 PRO A 94 9.262 5.336 -10.373 1.00 55.34 H new ATOM 1559 N PHE A 95 12.987 9.074 -8.908 1.00 31.23 N ATOM 1560 CA PHE A 95 13.440 10.422 -8.557 1.00 2.51 C ATOM 1561 C PHE A 95 13.147 11.416 -9.698 1.00 70.31 C ATOM 1562 O PHE A 95 12.982 11.009 -10.853 1.00 72.42 O ATOM 1563 CB PHE A 95 14.948 10.372 -8.251 1.00 51.13 C ATOM 1564 CG PHE A 95 15.590 11.708 -7.953 1.00 43.22 C ATOM 1565 CD1 PHE A 95 15.483 12.281 -6.694 1.00 2.25 C ATOM 1566 CD2 PHE A 95 16.313 12.382 -8.929 1.00 70.35 C ATOM 1567 CE1 PHE A 95 16.083 13.494 -6.417 1.00 44.52 C ATOM 1568 CE2 PHE A 95 16.912 13.597 -8.655 1.00 0.45 C ATOM 1569 CZ PHE A 95 16.797 14.151 -7.396 1.00 12.11 C ATOM 0 H PHE A 95 13.740 8.390 -8.974 1.00 31.23 H new ATOM 0 HA PHE A 95 12.899 10.769 -7.677 1.00 2.51 H new ATOM 0 HB2 PHE A 95 15.108 9.712 -7.398 1.00 51.13 H new ATOM 0 HB3 PHE A 95 15.460 9.923 -9.102 1.00 51.13 H new ATOM 0 HD1 PHE A 95 14.924 11.773 -5.922 1.00 2.25 H new ATOM 0 HD2 PHE A 95 16.408 11.951 -9.915 1.00 70.35 H new ATOM 0 HE1 PHE A 95 15.993 13.928 -5.432 1.00 44.52 H new ATOM 0 HE2 PHE A 95 17.469 14.112 -9.424 1.00 0.45 H new ATOM 0 HZ PHE A 95 17.266 15.099 -7.178 1.00 12.11 H new ATOM 1579 N GLN A 96 13.075 12.708 -9.369 1.00 34.43 N ATOM 1580 CA GLN A 96 12.859 13.767 -10.371 1.00 34.32 C ATOM 1581 C GLN A 96 13.733 13.552 -11.618 1.00 30.23 C ATOM 1582 O GLN A 96 14.958 13.679 -11.557 1.00 52.00 O ATOM 1583 CB GLN A 96 13.162 15.147 -9.756 1.00 15.34 C ATOM 1584 CG GLN A 96 13.051 16.320 -10.736 1.00 22.31 C ATOM 1585 CD GLN A 96 11.674 16.448 -11.368 1.00 70.52 C ATOM 1586 OE1 GLN A 96 10.785 17.099 -10.826 1.00 30.51 O ATOM 1587 NE2 GLN A 96 11.488 15.843 -12.529 1.00 4.03 N ATOM 0 H GLN A 96 13.163 13.052 -8.413 1.00 34.43 H new ATOM 0 HA GLN A 96 11.814 13.724 -10.678 1.00 34.32 H new ATOM 0 HB2 GLN A 96 12.477 15.318 -8.925 1.00 15.34 H new ATOM 0 HB3 GLN A 96 14.170 15.132 -9.340 1.00 15.34 H new ATOM 0 HG2 GLN A 96 13.290 17.246 -10.212 1.00 22.31 H new ATOM 0 HG3 GLN A 96 13.795 16.198 -11.524 1.00 22.31 H new ATOM 0 HE21 GLN A 96 12.247 15.310 -12.953 1.00 4.03 H new ATOM 0 HE22 GLN A 96 10.586 15.910 -13.000 1.00 4.03 H new ATOM 1596 N LYS A 97 13.089 13.220 -12.741 1.00 51.23 N ATOM 1597 CA LYS A 97 13.794 12.948 -14.002 1.00 75.45 C ATOM 1598 C LYS A 97 14.633 14.160 -14.462 1.00 51.32 C ATOM 1599 O LYS A 97 14.044 15.153 -14.937 1.00 37.10 O ATOM 1600 CB LYS A 97 12.782 12.551 -15.096 1.00 0.32 C ATOM 1601 CG LYS A 97 13.407 12.087 -16.421 1.00 44.00 C ATOM 1602 CD LYS A 97 13.726 10.585 -16.438 1.00 14.21 C ATOM 1603 CE LYS A 97 14.816 10.195 -15.443 1.00 25.11 C ATOM 1604 NZ LYS A 97 15.130 8.745 -15.503 1.00 73.03 N ATOM 1605 OXT LYS A 97 15.880 14.107 -14.344 1.00 37.10 O ATOM 0 H LYS A 97 12.075 13.132 -12.804 1.00 51.23 H new ATOM 0 HA LYS A 97 14.482 12.121 -13.828 1.00 75.45 H new ATOM 0 HB2 LYS A 97 12.148 11.752 -14.711 1.00 0.32 H new ATOM 0 HB3 LYS A 97 12.133 13.404 -15.297 1.00 0.32 H new ATOM 0 HG2 LYS A 97 12.725 12.318 -17.239 1.00 44.00 H new ATOM 0 HG3 LYS A 97 14.323 12.650 -16.602 1.00 44.00 H new ATOM 0 HD2 LYS A 97 12.819 10.024 -16.213 1.00 14.21 H new ATOM 0 HD3 LYS A 97 14.038 10.297 -17.442 1.00 14.21 H new ATOM 0 HE2 LYS A 97 15.718 10.770 -15.650 1.00 25.11 H new ATOM 0 HE3 LYS A 97 14.496 10.455 -14.434 1.00 25.11 H new ATOM 0 HZ1 LYS A 97 15.875 8.522 -14.812 1.00 73.03 H new ATOM 0 HZ2 LYS A 97 14.276 8.195 -15.281 1.00 73.03 H new ATOM 0 HZ3 LYS A 97 15.460 8.501 -16.458 1.00 73.03 H new TER 1619 LYS A 97