USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 501 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 4 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.41 F(o=-2.8,f=-1.4) USER MOD Single : A 20 THR OG1 : rot -42:sc= -0.303 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00439 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= -0.195 (180deg=-0.272) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.242 USER MOD Single : A 43 SER OG : rot 130:sc= -6.74! USER MOD Single : A 44 MET CE :methyl 177:sc= 0 (180deg=-0.0463) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.37 F(o=-2.6!,f=-1.4) USER MOD Single : A 51 THR OG1 : rot -130:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0807) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 79:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -5.23! C(o=-5.2!,f=-6.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.541 1.781 -8.764 1.00 0.00 N ATOM 44 CA THR A 4 -10.205 2.066 -7.503 1.00 0.00 C ATOM 45 C THR A 4 -9.511 1.330 -6.357 1.00 0.00 C ATOM 46 O THR A 4 -8.482 0.687 -6.560 1.00 0.00 O ATOM 47 CB THR A 4 -11.683 1.700 -7.654 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.306 2.295 -6.519 1.00 0.00 O ATOM 49 CG2 THR A 4 -11.936 0.201 -7.476 1.00 0.00 C ATOM 0 HA THR A 4 -10.141 3.125 -7.253 1.00 0.00 H new ATOM 0 HB THR A 4 -12.036 2.013 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.268 2.108 -6.538 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.000 -0.005 -7.593 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.374 -0.354 -8.227 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.614 -0.107 -6.481 1.00 0.00 H new ATOM 57 N GLN A 5 -10.102 1.446 -5.176 1.00 0.00 N ATOM 58 CA GLN A 5 -9.553 0.800 -3.997 1.00 0.00 C ATOM 59 C GLN A 5 -9.370 -0.698 -4.249 1.00 0.00 C ATOM 60 O GLN A 5 -8.244 -1.190 -4.299 1.00 0.00 O ATOM 61 CB GLN A 5 -10.438 1.045 -2.774 1.00 0.00 C ATOM 62 CG GLN A 5 -9.812 0.447 -1.514 1.00 0.00 C ATOM 63 CD GLN A 5 -8.803 1.414 -0.891 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.627 1.442 -1.510 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -9.075 2.090 0.088 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.956 1.978 -5.011 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.576 1.237 -3.790 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.586 2.116 -2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.422 0.606 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.593 0.215 -0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.317 -0.492 -1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.998 2.020 0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.379 2.725 0.479 1.00 0.00 H new ATOM 72 N GLU A 6 -10.495 -1.381 -4.404 1.00 0.00 N ATOM 73 CA GLU A 6 -10.474 -2.813 -4.650 1.00 0.00 C ATOM 74 C GLU A 6 -9.534 -3.138 -5.814 1.00 0.00 C ATOM 75 O GLU A 6 -9.088 -4.274 -5.959 1.00 0.00 O ATOM 76 CB GLU A 6 -11.882 -3.345 -4.918 1.00 0.00 C ATOM 77 CG GLU A 6 -12.394 -4.163 -3.730 1.00 0.00 C ATOM 78 CD GLU A 6 -13.900 -3.971 -3.540 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.320 -3.153 -2.707 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.645 -4.706 -4.295 1.00 0.00 O ATOM 0 H GLU A 6 -11.427 -0.969 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.099 -3.310 -3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.559 -2.512 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.876 -3.964 -5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.176 -5.219 -3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.868 -3.863 -2.824 1.00 0.00 H new ATOM 86 N GLU A 7 -9.264 -2.117 -6.616 1.00 0.00 N ATOM 87 CA GLU A 7 -8.386 -2.279 -7.762 1.00 0.00 C ATOM 88 C GLU A 7 -6.930 -2.384 -7.306 1.00 0.00 C ATOM 89 O GLU A 7 -6.174 -3.212 -7.813 1.00 0.00 O ATOM 90 CB GLU A 7 -8.568 -1.133 -8.758 1.00 0.00 C ATOM 91 CG GLU A 7 -9.076 -1.651 -10.106 1.00 0.00 C ATOM 92 CD GLU A 7 -7.931 -2.239 -10.933 1.00 0.00 C ATOM 93 OE1 GLU A 7 -6.756 -1.973 -10.643 1.00 0.00 O ATOM 94 OE2 GLU A 7 -8.298 -3.000 -11.908 1.00 0.00 O ATOM 0 H GLU A 7 -9.638 -1.176 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.653 -3.205 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.273 -0.405 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.620 -0.614 -8.898 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.840 -2.411 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.548 -0.838 -10.658 1.00 0.00 H new ATOM 100 N ILE A 8 -6.579 -1.532 -6.354 1.00 0.00 N ATOM 101 CA ILE A 8 -5.226 -1.517 -5.824 1.00 0.00 C ATOM 102 C ILE A 8 -5.167 -2.386 -4.566 1.00 0.00 C ATOM 103 O ILE A 8 -4.095 -2.590 -3.997 1.00 0.00 O ATOM 104 CB ILE A 8 -4.753 -0.079 -5.601 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.233 0.837 -6.728 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.235 -0.023 -5.424 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.019 2.308 -6.368 1.00 0.00 C ATOM 0 H ILE A 8 -7.208 -0.847 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.530 -1.948 -6.544 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.199 0.288 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.695 0.602 -7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.290 0.657 -6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.925 1.010 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.947 -0.623 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.750 -0.416 -6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.369 2.937 -7.186 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.578 2.546 -5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.958 2.490 -6.198 1.00 0.00 H new ATOM 118 N ILE A 9 -6.333 -2.875 -4.167 1.00 0.00 N ATOM 119 CA ILE A 9 -6.427 -3.717 -2.987 1.00 0.00 C ATOM 120 C ILE A 9 -6.615 -5.172 -3.417 1.00 0.00 C ATOM 121 O ILE A 9 -6.029 -6.079 -2.828 1.00 0.00 O ATOM 122 CB ILE A 9 -7.524 -3.206 -2.050 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.192 -1.807 -1.529 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.779 -4.196 -0.912 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.867 -1.549 -0.181 1.00 0.00 C ATOM 0 H ILE A 9 -7.220 -2.704 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.502 -3.671 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.450 -3.126 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.112 -1.701 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.518 -1.059 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.563 -3.808 -0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.093 -5.154 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.864 -4.332 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.614 -0.547 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.948 -1.632 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.520 -2.284 0.546 1.00 0.00 H new ATOM 136 N ALA A 10 -7.434 -5.351 -4.443 1.00 0.00 N ATOM 137 CA ALA A 10 -7.707 -6.682 -4.960 1.00 0.00 C ATOM 138 C ALA A 10 -6.758 -6.977 -6.123 1.00 0.00 C ATOM 139 O ALA A 10 -6.342 -8.119 -6.315 1.00 0.00 O ATOM 140 CB ALA A 10 -9.178 -6.779 -5.370 1.00 0.00 C ATOM 0 H ALA A 10 -7.918 -4.597 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.532 -7.435 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.383 -7.777 -5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.811 -6.590 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.390 -6.039 -6.142 1.00 0.00 H new ATOM 146 N GLY A 11 -6.440 -5.928 -6.867 1.00 0.00 N ATOM 147 CA GLY A 11 -5.547 -6.060 -8.006 1.00 0.00 C ATOM 148 C GLY A 11 -4.109 -6.310 -7.548 1.00 0.00 C ATOM 149 O GLY A 11 -3.394 -7.113 -8.144 1.00 0.00 O ATOM 0 H GLY A 11 -6.785 -4.982 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.879 -6.882 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.588 -5.155 -8.612 1.00 0.00 H new ATOM 153 N ILE A 12 -3.728 -5.604 -6.493 1.00 0.00 N ATOM 154 CA ILE A 12 -2.387 -5.739 -5.948 1.00 0.00 C ATOM 155 C ILE A 12 -2.315 -7.002 -5.087 1.00 0.00 C ATOM 156 O ILE A 12 -1.458 -7.858 -5.304 1.00 0.00 O ATOM 157 CB ILE A 12 -1.980 -4.465 -5.205 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.875 -3.279 -6.166 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.687 -4.680 -4.416 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.729 -2.348 -5.766 1.00 0.00 C ATOM 0 H ILE A 12 -4.324 -4.938 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.660 -5.859 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.761 -4.226 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.715 -3.642 -7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.814 -2.725 -6.169 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.420 -3.759 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.834 -5.477 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.115 -4.957 -5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.677 -1.514 -6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.904 -1.967 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.211 -2.899 -5.787 1.00 0.00 H new ATOM 171 N ALA A 13 -3.226 -7.080 -4.128 1.00 0.00 N ATOM 172 CA ALA A 13 -3.277 -8.224 -3.235 1.00 0.00 C ATOM 173 C ALA A 13 -3.026 -9.502 -4.036 1.00 0.00 C ATOM 174 O ALA A 13 -2.193 -10.325 -3.654 1.00 0.00 O ATOM 175 CB ALA A 13 -4.624 -8.246 -2.510 1.00 0.00 C ATOM 0 H ALA A 13 -3.935 -6.369 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.499 -8.153 -2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.662 -9.105 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.741 -7.329 -1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.429 -8.320 -3.241 1.00 0.00 H new ATOM 181 N GLU A 14 -3.760 -9.632 -5.131 1.00 0.00 N ATOM 182 CA GLU A 14 -3.626 -10.796 -5.989 1.00 0.00 C ATOM 183 C GLU A 14 -2.191 -10.913 -6.507 1.00 0.00 C ATOM 184 O GLU A 14 -1.630 -12.007 -6.553 1.00 0.00 O ATOM 185 CB GLU A 14 -4.624 -10.741 -7.148 1.00 0.00 C ATOM 186 CG GLU A 14 -6.016 -11.185 -6.694 1.00 0.00 C ATOM 187 CD GLU A 14 -7.066 -10.876 -7.763 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.914 -11.296 -8.921 1.00 0.00 O ATOM 189 OE2 GLU A 14 -8.069 -10.174 -7.356 1.00 0.00 O ATOM 0 H GLU A 14 -4.450 -8.949 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.852 -11.684 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.673 -9.726 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.280 -11.383 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.010 -12.254 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.278 -10.679 -5.765 1.00 0.00 H new ATOM 195 N ILE A 15 -1.637 -9.770 -6.884 1.00 0.00 N ATOM 196 CA ILE A 15 -0.278 -9.730 -7.396 1.00 0.00 C ATOM 197 C ILE A 15 0.696 -10.103 -6.276 1.00 0.00 C ATOM 198 O ILE A 15 1.601 -10.910 -6.480 1.00 0.00 O ATOM 199 CB ILE A 15 0.013 -8.371 -8.037 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.756 -8.208 -9.349 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.518 -8.165 -8.224 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.430 -6.869 -10.013 1.00 0.00 C ATOM 0 H ILE A 15 -2.105 -8.864 -6.845 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.148 -10.466 -8.190 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.337 -7.591 -7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.504 -9.024 -10.026 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.827 -8.272 -9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.698 -7.192 -8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.014 -8.208 -7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.915 -8.948 -8.870 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.990 -6.779 -10.944 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.705 -6.054 -9.343 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.638 -6.819 -10.226 1.00 0.00 H new ATOM 213 N ILE A 16 0.476 -9.498 -5.118 1.00 0.00 N ATOM 214 CA ILE A 16 1.322 -9.757 -3.966 1.00 0.00 C ATOM 215 C ILE A 16 1.384 -11.265 -3.712 1.00 0.00 C ATOM 216 O ILE A 16 2.400 -11.779 -3.248 1.00 0.00 O ATOM 217 CB ILE A 16 0.845 -8.949 -2.758 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.805 -7.454 -3.080 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.703 -9.247 -1.527 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.439 -6.636 -1.840 1.00 0.00 C ATOM 0 H ILE A 16 -0.276 -8.829 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 16 2.342 -9.424 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.174 -9.255 -2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.776 -7.134 -3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.078 -7.268 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.343 -8.660 -0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.637 -10.308 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.741 -8.986 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.418 -5.577 -2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.543 -6.942 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.181 -6.806 -1.060 1.00 0.00 H new ATOM 231 N GLU A 17 0.283 -11.932 -4.029 1.00 0.00 N ATOM 232 CA GLU A 17 0.199 -13.370 -3.841 1.00 0.00 C ATOM 233 C GLU A 17 0.919 -14.097 -4.979 1.00 0.00 C ATOM 234 O GLU A 17 0.909 -15.325 -5.039 1.00 0.00 O ATOM 235 CB GLU A 17 -1.258 -13.825 -3.735 1.00 0.00 C ATOM 236 CG GLU A 17 -1.345 -15.284 -3.288 1.00 0.00 C ATOM 237 CD GLU A 17 -1.921 -16.165 -4.398 1.00 0.00 C ATOM 238 OE1 GLU A 17 -1.830 -15.809 -5.582 1.00 0.00 O ATOM 239 OE2 GLU A 17 -2.478 -17.257 -3.994 1.00 0.00 O ATOM 0 H GLU A 17 -0.558 -11.502 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 17 0.694 -13.624 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.790 -13.191 -3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.751 -13.707 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.354 -15.643 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.970 -15.359 -2.398 1.00 0.00 H new ATOM 245 N GLU A 18 1.528 -13.307 -5.851 1.00 0.00 N ATOM 246 CA GLU A 18 2.252 -13.860 -6.983 1.00 0.00 C ATOM 247 C GLU A 18 3.758 -13.659 -6.801 1.00 0.00 C ATOM 248 O GLU A 18 4.542 -14.581 -7.014 1.00 0.00 O ATOM 249 CB GLU A 18 1.772 -13.242 -8.297 1.00 0.00 C ATOM 250 CG GLU A 18 0.259 -13.404 -8.459 1.00 0.00 C ATOM 251 CD GLU A 18 -0.071 -14.321 -9.639 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.033 -13.879 -10.796 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.374 -15.534 -9.319 1.00 0.00 O ATOM 0 H GLU A 18 1.535 -12.288 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 18 2.051 -14.930 -7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.033 -12.184 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.284 -13.716 -9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.166 -13.816 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.201 -12.428 -8.613 1.00 0.00 H new ATOM 259 N VAL A 19 4.116 -12.445 -6.406 1.00 0.00 N ATOM 260 CA VAL A 19 5.513 -12.110 -6.192 1.00 0.00 C ATOM 261 C VAL A 19 5.960 -12.647 -4.831 1.00 0.00 C ATOM 262 O VAL A 19 6.796 -13.546 -4.758 1.00 0.00 O ATOM 263 CB VAL A 19 5.718 -10.601 -6.336 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.182 -10.272 -6.634 1.00 0.00 C ATOM 265 CG2 VAL A 19 4.795 -10.023 -7.411 1.00 0.00 C ATOM 0 H VAL A 19 3.462 -11.682 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 19 6.139 -12.583 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 19 5.458 -10.135 -5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.300 -9.193 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.809 -10.633 -5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.481 -10.755 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.961 -8.949 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.010 -10.498 -8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.756 -10.210 -7.138 1.00 0.00 H new ATOM 275 N THR A 20 5.380 -12.074 -3.786 1.00 0.00 N ATOM 276 CA THR A 20 5.708 -12.484 -2.431 1.00 0.00 C ATOM 277 C THR A 20 5.027 -13.812 -2.096 1.00 0.00 C ATOM 278 O THR A 20 5.545 -14.597 -1.303 1.00 0.00 O ATOM 279 CB THR A 20 5.318 -11.346 -1.485 1.00 0.00 C ATOM 280 OG1 THR A 20 3.895 -11.414 -1.429 1.00 0.00 O ATOM 281 CG2 THR A 20 5.602 -9.966 -2.081 1.00 0.00 C ATOM 0 H THR A 20 4.685 -11.330 -3.850 1.00 0.00 H new ATOM 0 HA THR A 20 6.777 -12.666 -2.321 1.00 0.00 H new ATOM 0 HB THR A 20 5.859 -11.454 -0.545 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.539 -11.573 -2.328 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.307 -9.195 -1.370 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.667 -9.874 -2.295 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.035 -9.844 -3.004 1.00 0.00 H new ATOM 289 N GLY A 21 3.876 -14.024 -2.718 1.00 0.00 N ATOM 290 CA GLY A 21 3.119 -15.244 -2.496 1.00 0.00 C ATOM 291 C GLY A 21 2.259 -15.134 -1.235 1.00 0.00 C ATOM 292 O GLY A 21 1.885 -16.147 -0.645 1.00 0.00 O ATOM 0 H GLY A 21 3.450 -13.371 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.483 -15.443 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.802 -16.088 -2.402 1.00 0.00 H new ATOM 296 N ILE A 22 1.971 -13.898 -0.860 1.00 0.00 N ATOM 297 CA ILE A 22 1.163 -13.642 0.321 1.00 0.00 C ATOM 298 C ILE A 22 -0.317 -13.776 -0.042 1.00 0.00 C ATOM 299 O ILE A 22 -0.670 -13.819 -1.219 1.00 0.00 O ATOM 300 CB ILE A 22 1.526 -12.290 0.937 1.00 0.00 C ATOM 301 CG1 ILE A 22 2.986 -12.268 1.393 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.565 -11.928 2.070 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.515 -10.835 1.471 1.00 0.00 C ATOM 0 H ILE A 22 2.283 -13.061 -1.353 1.00 0.00 H new ATOM 0 HA ILE A 22 1.371 -14.382 1.093 1.00 0.00 H new ATOM 0 HB ILE A 22 1.419 -11.525 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.073 -12.745 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.596 -12.847 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.846 -10.962 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.452 -11.873 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.615 -12.691 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.555 -10.848 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.449 -10.369 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.918 -10.265 2.183 1.00 0.00 H new ATOM 314 N GLU A 23 -1.143 -13.839 0.992 1.00 0.00 N ATOM 315 CA GLU A 23 -2.577 -13.967 0.798 1.00 0.00 C ATOM 316 C GLU A 23 -3.152 -12.673 0.217 1.00 0.00 C ATOM 317 O GLU A 23 -2.605 -11.594 0.435 1.00 0.00 O ATOM 318 CB GLU A 23 -3.278 -14.340 2.106 1.00 0.00 C ATOM 319 CG GLU A 23 -3.739 -15.798 2.085 1.00 0.00 C ATOM 320 CD GLU A 23 -3.253 -16.545 3.329 1.00 0.00 C ATOM 321 OE1 GLU A 23 -2.070 -16.446 3.688 1.00 0.00 O ATOM 322 OE2 GLU A 23 -4.153 -17.248 3.930 1.00 0.00 O ATOM 0 H GLU A 23 -0.846 -13.804 1.967 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.756 -14.773 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.600 -14.182 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.136 -13.686 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.827 -15.838 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.360 -16.290 1.190 1.00 0.00 H new ATOM 328 N PRO A 24 -4.278 -12.830 -0.531 1.00 0.00 N ATOM 329 CA PRO A 24 -4.932 -11.687 -1.145 1.00 0.00 C ATOM 330 C PRO A 24 -5.696 -10.868 -0.103 1.00 0.00 C ATOM 331 O PRO A 24 -5.480 -9.664 0.027 1.00 0.00 O ATOM 332 CB PRO A 24 -5.835 -12.278 -2.215 1.00 0.00 C ATOM 333 CG PRO A 24 -6.004 -13.745 -1.852 1.00 0.00 C ATOM 334 CD PRO A 24 -4.953 -14.092 -0.812 1.00 0.00 C ATOM 0 HA PRO A 24 -4.225 -10.983 -1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.798 -11.768 -2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.392 -12.169 -3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.004 -13.928 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.888 -14.373 -2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.408 -14.506 0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.255 -14.839 -1.189 1.00 0.00 H new ATOM 339 N SER A 25 -6.576 -11.553 0.612 1.00 0.00 N ATOM 340 CA SER A 25 -7.374 -10.905 1.640 1.00 0.00 C ATOM 341 C SER A 25 -6.463 -10.339 2.730 1.00 0.00 C ATOM 342 O SER A 25 -6.847 -9.417 3.448 1.00 0.00 O ATOM 343 CB SER A 25 -8.387 -11.878 2.246 1.00 0.00 C ATOM 344 OG SER A 25 -9.703 -11.333 2.267 1.00 0.00 O ATOM 0 H SER A 25 -6.754 -12.551 0.500 1.00 0.00 H new ATOM 0 HA SER A 25 -7.928 -10.088 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.387 -12.805 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.083 -12.132 3.262 1.00 0.00 H new ATOM 0 HG SER A 25 -10.321 -11.985 2.659 1.00 0.00 H new ATOM 349 N GLU A 26 -5.273 -10.914 2.821 1.00 0.00 N ATOM 350 CA GLU A 26 -4.304 -10.478 3.812 1.00 0.00 C ATOM 351 C GLU A 26 -3.926 -9.014 3.576 1.00 0.00 C ATOM 352 O GLU A 26 -3.827 -8.235 4.523 1.00 0.00 O ATOM 353 CB GLU A 26 -3.064 -11.374 3.797 1.00 0.00 C ATOM 354 CG GLU A 26 -2.349 -11.343 5.150 1.00 0.00 C ATOM 355 CD GLU A 26 -1.030 -12.116 5.091 1.00 0.00 C ATOM 356 OE1 GLU A 26 0.046 -11.520 5.256 1.00 0.00 O ATOM 357 OE2 GLU A 26 -1.150 -13.381 4.866 1.00 0.00 O ATOM 0 H GLU A 26 -4.958 -11.679 2.224 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.760 -10.561 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.353 -12.397 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.382 -11.044 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.157 -10.310 5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.994 -11.774 5.916 1.00 0.00 H new ATOM 363 N ILE A 27 -3.725 -8.685 2.309 1.00 0.00 N ATOM 364 CA ILE A 27 -3.359 -7.329 1.937 1.00 0.00 C ATOM 365 C ILE A 27 -4.485 -6.373 2.339 1.00 0.00 C ATOM 366 O ILE A 27 -5.658 -6.743 2.307 1.00 0.00 O ATOM 367 CB ILE A 27 -2.994 -7.259 0.453 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.550 -7.710 0.222 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.257 -5.862 -0.112 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.163 -8.831 1.189 1.00 0.00 C ATOM 0 H ILE A 27 -3.809 -9.334 1.527 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.465 -7.015 2.476 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.638 -7.951 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.433 -8.055 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.876 -6.864 0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.989 -5.840 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.313 -5.617 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.656 -5.131 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.132 -9.132 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.257 -8.475 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.823 -9.685 1.039 1.00 0.00 H new ATOM 381 N THR A 28 -4.089 -5.164 2.707 1.00 0.00 N ATOM 382 CA THR A 28 -5.050 -4.154 3.115 1.00 0.00 C ATOM 383 C THR A 28 -4.405 -2.767 3.097 1.00 0.00 C ATOM 384 O THR A 28 -3.184 -2.646 3.011 1.00 0.00 O ATOM 385 CB THR A 28 -5.601 -4.550 4.486 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.538 -5.283 5.089 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.743 -5.564 4.388 1.00 0.00 C ATOM 0 H THR A 28 -3.115 -4.861 2.731 1.00 0.00 H new ATOM 0 HA THR A 28 -5.886 -4.099 2.417 1.00 0.00 H new ATOM 0 HB THR A 28 -5.950 -3.659 5.007 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.810 -5.577 5.983 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.097 -5.811 5.389 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.561 -5.136 3.809 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.385 -6.469 3.896 1.00 0.00 H new ATOM 395 N PRO A 29 -5.277 -1.727 3.183 1.00 0.00 N ATOM 396 CA PRO A 29 -4.806 -0.352 3.178 1.00 0.00 C ATOM 397 C PRO A 29 -4.177 0.017 4.524 1.00 0.00 C ATOM 398 O PRO A 29 -4.497 1.058 5.097 1.00 0.00 O ATOM 399 CB PRO A 29 -6.030 0.484 2.845 1.00 0.00 C ATOM 400 CG PRO A 29 -7.230 -0.404 3.133 1.00 0.00 C ATOM 401 CD PRO A 29 -6.729 -1.830 3.287 1.00 0.00 C ATOM 0 HA PRO A 29 -4.015 -0.182 2.448 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.060 1.390 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.017 0.797 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.737 -0.078 4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.956 -0.340 2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.028 -2.253 4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.136 -2.479 2.511 1.00 0.00 H new ATOM 406 N GLU A 30 -3.296 -0.855 4.989 1.00 0.00 N ATOM 407 CA GLU A 30 -2.621 -0.633 6.257 1.00 0.00 C ATOM 408 C GLU A 30 -1.139 -0.996 6.140 1.00 0.00 C ATOM 409 O GLU A 30 -0.303 -0.445 6.853 1.00 0.00 O ATOM 410 CB GLU A 30 -3.292 -1.425 7.381 1.00 0.00 C ATOM 411 CG GLU A 30 -4.687 -0.873 7.684 1.00 0.00 C ATOM 412 CD GLU A 30 -4.676 -0.026 8.958 1.00 0.00 C ATOM 413 OE1 GLU A 30 -5.154 -0.479 10.008 1.00 0.00 O ATOM 414 OE2 GLU A 30 -4.145 1.143 8.830 1.00 0.00 O ATOM 0 H GLU A 30 -3.033 -1.717 4.511 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.697 0.425 6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.366 -2.475 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.676 -1.381 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.034 -0.270 6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.392 -1.697 7.797 1.00 0.00 H new ATOM 420 N LYS A 31 -0.859 -1.922 5.234 1.00 0.00 N ATOM 421 CA LYS A 31 0.507 -2.365 5.014 1.00 0.00 C ATOM 422 C LYS A 31 1.437 -1.150 5.004 1.00 0.00 C ATOM 423 O LYS A 31 0.998 -0.029 4.748 1.00 0.00 O ATOM 424 CB LYS A 31 0.597 -3.218 3.747 1.00 0.00 C ATOM 425 CG LYS A 31 -0.468 -4.318 3.750 1.00 0.00 C ATOM 426 CD LYS A 31 0.103 -5.634 3.220 1.00 0.00 C ATOM 427 CE LYS A 31 -0.174 -6.782 4.192 1.00 0.00 C ATOM 428 NZ LYS A 31 0.795 -7.883 3.986 1.00 0.00 N ATOM 0 H LYS A 31 -1.555 -2.377 4.644 1.00 0.00 H new ATOM 0 HA LYS A 31 0.833 -3.011 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.469 -2.585 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.588 -3.666 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.844 -4.462 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.315 -4.011 3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.337 -5.861 2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.178 -5.533 3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.110 -6.421 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.189 -7.152 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.531 -8.694 4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.786 -8.170 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.749 -7.559 4.245 1.00 0.00 H new ATOM 437 N SER A 32 2.705 -1.413 5.285 1.00 0.00 N ATOM 438 CA SER A 32 3.700 -0.355 5.313 1.00 0.00 C ATOM 439 C SER A 32 4.751 -0.597 4.227 1.00 0.00 C ATOM 440 O SER A 32 5.821 0.010 4.247 1.00 0.00 O ATOM 441 CB SER A 32 4.367 -0.261 6.687 1.00 0.00 C ATOM 442 OG SER A 32 4.563 1.090 7.094 1.00 0.00 O ATOM 0 H SER A 32 3.066 -2.344 5.495 1.00 0.00 H new ATOM 0 HA SER A 32 3.197 0.593 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.752 -0.776 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.328 -0.774 6.659 1.00 0.00 H new ATOM 0 HG SER A 32 4.990 1.107 7.976 1.00 0.00 H new ATOM 447 N PHE A 33 4.409 -1.486 3.306 1.00 0.00 N ATOM 448 CA PHE A 33 5.310 -1.816 2.215 1.00 0.00 C ATOM 449 C PHE A 33 6.385 -2.805 2.671 1.00 0.00 C ATOM 450 O PHE A 33 6.862 -3.617 1.881 1.00 0.00 O ATOM 451 CB PHE A 33 5.984 -0.513 1.781 1.00 0.00 C ATOM 452 CG PHE A 33 6.158 -0.377 0.266 1.00 0.00 C ATOM 453 CD1 PHE A 33 5.131 0.083 -0.498 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.340 -0.716 -0.315 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.293 0.210 -1.903 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.502 -0.588 -1.720 1.00 0.00 C ATOM 457 CZ PHE A 33 6.475 -0.128 -2.484 1.00 0.00 C ATOM 0 H PHE A 33 3.521 -1.988 3.293 1.00 0.00 H new ATOM 0 HA PHE A 33 4.753 -2.277 1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.394 0.328 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.963 -0.446 2.256 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.192 0.352 -0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.155 -1.082 0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.478 0.575 -2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.441 -0.856 -2.182 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.598 -0.031 -3.553 1.00 0.00 H new ATOM 466 N VAL A 34 6.735 -2.703 3.944 1.00 0.00 N ATOM 467 CA VAL A 34 7.745 -3.578 4.516 1.00 0.00 C ATOM 468 C VAL A 34 7.347 -3.944 5.947 1.00 0.00 C ATOM 469 O VAL A 34 7.216 -5.121 6.276 1.00 0.00 O ATOM 470 CB VAL A 34 9.122 -2.915 4.429 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.842 -2.971 5.777 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.969 -3.554 3.327 1.00 0.00 C ATOM 0 H VAL A 34 6.337 -2.027 4.597 1.00 0.00 H new ATOM 0 HA VAL A 34 7.810 -4.507 3.950 1.00 0.00 H new ATOM 0 HB VAL A 34 8.974 -1.866 4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.818 -2.493 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.249 -2.449 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.973 -4.011 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.942 -3.065 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.105 -4.614 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.465 -3.439 2.368 1.00 0.00 H new ATOM 482 N ASP A 35 7.165 -2.912 6.758 1.00 0.00 N ATOM 483 CA ASP A 35 6.783 -3.110 8.147 1.00 0.00 C ATOM 484 C ASP A 35 5.811 -4.288 8.241 1.00 0.00 C ATOM 485 O ASP A 35 5.813 -5.021 9.228 1.00 0.00 O ATOM 486 CB ASP A 35 6.083 -1.871 8.707 1.00 0.00 C ATOM 487 CG ASP A 35 6.167 -1.713 10.227 1.00 0.00 C ATOM 488 OD1 ASP A 35 6.586 -2.633 10.943 1.00 0.00 O ATOM 489 OD2 ASP A 35 5.776 -0.569 10.678 1.00 0.00 O ATOM 0 H ASP A 35 7.275 -1.937 6.481 1.00 0.00 H new ATOM 0 HA ASP A 35 7.689 -3.302 8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.515 -0.986 8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.033 -1.903 8.418 1.00 0.00 H new ATOM 494 N ASP A 36 5.002 -4.431 7.201 1.00 0.00 N ATOM 495 CA ASP A 36 4.027 -5.507 7.154 1.00 0.00 C ATOM 496 C ASP A 36 4.506 -6.583 6.178 1.00 0.00 C ATOM 497 O ASP A 36 4.836 -7.695 6.587 1.00 0.00 O ATOM 498 CB ASP A 36 2.669 -4.997 6.666 1.00 0.00 C ATOM 499 CG ASP A 36 1.503 -5.248 7.624 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.508 -5.893 7.264 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.647 -4.742 8.802 1.00 0.00 O ATOM 0 H ASP A 36 5.002 -3.819 6.385 1.00 0.00 H new ATOM 0 HA ASP A 36 3.921 -5.910 8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.745 -3.925 6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.442 -5.469 5.710 1.00 0.00 H new ATOM 506 N LEU A 37 4.531 -6.214 4.906 1.00 0.00 N ATOM 507 CA LEU A 37 4.966 -7.133 3.867 1.00 0.00 C ATOM 508 C LEU A 37 6.163 -7.939 4.375 1.00 0.00 C ATOM 509 O LEU A 37 6.162 -9.167 4.310 1.00 0.00 O ATOM 510 CB LEU A 37 5.239 -6.380 2.564 1.00 0.00 C ATOM 511 CG LEU A 37 4.006 -5.867 1.816 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.412 -5.033 0.598 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.075 -7.020 1.436 1.00 0.00 C ATOM 0 H LEU A 37 4.257 -5.291 4.571 1.00 0.00 H new ATOM 0 HA LEU A 37 4.176 -7.847 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.884 -5.530 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.797 -7.038 1.897 1.00 0.00 H new ATOM 0 HG LEU A 37 3.449 -5.211 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.518 -4.680 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.004 -4.178 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.003 -5.646 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.207 -6.627 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.607 -7.720 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.746 -7.535 2.339 1.00 0.00 H new ATOM 524 N ASP A 38 7.157 -7.215 4.868 1.00 0.00 N ATOM 525 CA ASP A 38 8.359 -7.846 5.385 1.00 0.00 C ATOM 526 C ASP A 38 9.073 -8.582 4.249 1.00 0.00 C ATOM 527 O ASP A 38 9.969 -9.388 4.494 1.00 0.00 O ATOM 528 CB ASP A 38 8.020 -8.869 6.471 1.00 0.00 C ATOM 529 CG ASP A 38 8.976 -8.885 7.666 1.00 0.00 C ATOM 530 OD1 ASP A 38 9.987 -9.602 7.665 1.00 0.00 O ATOM 531 OD2 ASP A 38 8.642 -8.110 8.641 1.00 0.00 O ATOM 0 H ASP A 38 7.154 -6.196 4.920 1.00 0.00 H new ATOM 0 HA ASP A 38 8.993 -7.067 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.012 -8.670 6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.007 -9.862 6.022 1.00 0.00 H new ATOM 536 N ILE A 39 8.648 -8.278 3.031 1.00 0.00 N ATOM 537 CA ILE A 39 9.236 -8.901 1.857 1.00 0.00 C ATOM 538 C ILE A 39 10.350 -8.005 1.314 1.00 0.00 C ATOM 539 O ILE A 39 11.220 -8.467 0.577 1.00 0.00 O ATOM 540 CB ILE A 39 8.153 -9.229 0.827 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.498 -10.506 0.058 1.00 0.00 C ATOM 542 CG2 ILE A 39 7.910 -8.043 -0.108 1.00 0.00 C ATOM 543 CD1 ILE A 39 9.902 -10.421 -0.545 1.00 0.00 C ATOM 0 H ILE A 39 7.904 -7.609 2.832 1.00 0.00 H new ATOM 0 HA ILE A 39 9.694 -9.855 2.120 1.00 0.00 H new ATOM 0 HB ILE A 39 7.220 -9.416 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.437 -11.365 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.767 -10.666 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.136 -8.302 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.588 -7.180 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.832 -7.801 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.122 -11.341 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.953 -9.576 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.633 -10.285 0.252 1.00 0.00 H new ATOM 554 N ASP A 40 10.289 -6.739 1.700 1.00 0.00 N ATOM 555 CA ASP A 40 11.283 -5.773 1.261 1.00 0.00 C ATOM 556 C ASP A 40 10.822 -5.134 -0.050 1.00 0.00 C ATOM 557 O ASP A 40 9.690 -5.346 -0.484 1.00 0.00 O ATOM 558 CB ASP A 40 12.633 -6.449 1.008 1.00 0.00 C ATOM 559 CG ASP A 40 13.853 -5.547 1.202 1.00 0.00 C ATOM 560 OD1 ASP A 40 13.845 -4.631 2.038 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.857 -5.818 0.439 1.00 0.00 O ATOM 0 H ASP A 40 9.567 -6.359 2.312 1.00 0.00 H new ATOM 0 HA ASP A 40 11.395 -5.024 2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.724 -7.306 1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.644 -6.835 -0.011 1.00 0.00 H new ATOM 566 N SER A 41 11.721 -4.364 -0.644 1.00 0.00 N ATOM 567 CA SER A 41 11.421 -3.692 -1.897 1.00 0.00 C ATOM 568 C SER A 41 11.742 -4.614 -3.076 1.00 0.00 C ATOM 569 O SER A 41 11.587 -4.226 -4.232 1.00 0.00 O ATOM 570 CB SER A 41 12.202 -2.382 -2.020 1.00 0.00 C ATOM 571 OG SER A 41 11.877 -1.677 -3.215 1.00 0.00 O ATOM 0 H SER A 41 12.658 -4.190 -0.281 1.00 0.00 H new ATOM 0 HA SER A 41 10.358 -3.453 -1.910 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.989 -1.751 -1.157 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.271 -2.594 -2.004 1.00 0.00 H new ATOM 0 HG SER A 41 12.395 -0.846 -3.256 1.00 0.00 H new ATOM 576 N LEU A 42 12.184 -5.817 -2.740 1.00 0.00 N ATOM 577 CA LEU A 42 12.528 -6.797 -3.757 1.00 0.00 C ATOM 578 C LEU A 42 11.260 -7.228 -4.495 1.00 0.00 C ATOM 579 O LEU A 42 11.078 -6.900 -5.666 1.00 0.00 O ATOM 580 CB LEU A 42 13.304 -7.962 -3.137 1.00 0.00 C ATOM 581 CG LEU A 42 14.752 -8.127 -3.603 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.731 -7.592 -2.556 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.046 -9.582 -3.973 1.00 0.00 C ATOM 0 H LEU A 42 12.312 -6.135 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 42 13.195 -6.357 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.304 -7.837 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.767 -8.886 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 42 14.890 -7.531 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.753 -7.722 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.538 -6.533 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.601 -8.140 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.082 -9.672 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.884 -10.218 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.382 -9.894 -4.779 1.00 0.00 H new ATOM 594 N SER A 43 10.414 -7.954 -3.779 1.00 0.00 N ATOM 595 CA SER A 43 9.168 -8.432 -4.351 1.00 0.00 C ATOM 596 C SER A 43 8.236 -7.252 -4.638 1.00 0.00 C ATOM 597 O SER A 43 7.603 -7.198 -5.692 1.00 0.00 O ATOM 598 CB SER A 43 8.482 -9.435 -3.421 1.00 0.00 C ATOM 599 OG SER A 43 7.805 -10.459 -4.144 1.00 0.00 O ATOM 0 H SER A 43 10.568 -8.223 -2.807 1.00 0.00 H new ATOM 0 HA SER A 43 9.397 -8.943 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.225 -9.886 -2.764 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.770 -8.910 -2.784 1.00 0.00 H new ATOM 0 HG SER A 43 8.066 -11.335 -3.791 1.00 0.00 H new ATOM 604 N MET A 44 8.183 -6.337 -3.682 1.00 0.00 N ATOM 605 CA MET A 44 7.340 -5.161 -3.818 1.00 0.00 C ATOM 606 C MET A 44 7.620 -4.435 -5.136 1.00 0.00 C ATOM 607 O MET A 44 6.722 -3.828 -5.717 1.00 0.00 O ATOM 608 CB MET A 44 7.597 -4.210 -2.647 1.00 0.00 C ATOM 609 CG MET A 44 6.557 -4.408 -1.542 1.00 0.00 C ATOM 610 SD MET A 44 5.386 -3.061 -1.557 1.00 0.00 S ATOM 611 CE MET A 44 4.351 -3.565 -2.921 1.00 0.00 C ATOM 0 H MET A 44 8.710 -6.386 -2.810 1.00 0.00 H new ATOM 0 HA MET A 44 6.298 -5.482 -3.815 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.596 -4.382 -2.246 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.568 -3.179 -2.998 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.037 -5.355 -1.687 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.051 -4.461 -0.572 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.530 -2.857 -3.035 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.941 -3.587 -3.837 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.949 -4.559 -2.725 1.00 0.00 H new ATOM 619 N VAL A 45 8.869 -4.524 -5.569 1.00 0.00 N ATOM 620 CA VAL A 45 9.277 -3.884 -6.808 1.00 0.00 C ATOM 621 C VAL A 45 8.513 -4.509 -7.977 1.00 0.00 C ATOM 622 O VAL A 45 8.151 -3.817 -8.928 1.00 0.00 O ATOM 623 CB VAL A 45 10.796 -3.977 -6.969 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.180 -4.186 -8.435 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.486 -2.741 -6.392 1.00 0.00 C ATOM 0 H VAL A 45 9.611 -5.029 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 45 9.029 -2.823 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 45 11.140 -4.845 -6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.265 -4.249 -8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.733 -5.111 -8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.816 -3.348 -9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.565 -2.833 -6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.134 -1.851 -6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.252 -2.656 -5.331 1.00 0.00 H new ATOM 635 N GLU A 46 8.289 -5.810 -7.869 1.00 0.00 N ATOM 636 CA GLU A 46 7.574 -6.536 -8.905 1.00 0.00 C ATOM 637 C GLU A 46 6.090 -6.164 -8.885 1.00 0.00 C ATOM 638 O GLU A 46 5.544 -5.720 -9.893 1.00 0.00 O ATOM 639 CB GLU A 46 7.763 -8.045 -8.747 1.00 0.00 C ATOM 640 CG GLU A 46 8.492 -8.636 -9.956 1.00 0.00 C ATOM 641 CD GLU A 46 10.004 -8.668 -9.722 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.457 -8.553 -8.574 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.717 -8.820 -10.787 1.00 0.00 O ATOM 0 H GLU A 46 8.590 -6.381 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 46 7.987 -6.251 -9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.330 -8.251 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.792 -8.527 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.128 -9.646 -10.147 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.270 -8.044 -10.844 1.00 0.00 H new ATOM 649 N ILE A 47 5.480 -6.360 -7.725 1.00 0.00 N ATOM 650 CA ILE A 47 4.069 -6.051 -7.561 1.00 0.00 C ATOM 651 C ILE A 47 3.744 -4.757 -8.310 1.00 0.00 C ATOM 652 O ILE A 47 2.705 -4.657 -8.961 1.00 0.00 O ATOM 653 CB ILE A 47 3.699 -6.011 -6.077 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.537 -7.426 -5.514 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.451 -5.156 -5.845 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.381 -7.614 -4.253 1.00 0.00 C ATOM 0 H ILE A 47 5.936 -6.729 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 47 3.454 -6.837 -7.999 1.00 0.00 H new ATOM 0 HB ILE A 47 4.518 -5.539 -5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.488 -7.612 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.833 -8.157 -6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.210 -5.145 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.639 -4.138 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.614 -5.576 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.248 -8.627 -3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.432 -7.451 -4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.066 -6.898 -3.494 1.00 0.00 H new ATOM 667 N ALA A 48 4.652 -3.799 -8.193 1.00 0.00 N ATOM 668 CA ALA A 48 4.475 -2.516 -8.851 1.00 0.00 C ATOM 669 C ALA A 48 4.803 -2.660 -10.338 1.00 0.00 C ATOM 670 O ALA A 48 4.066 -2.170 -11.191 1.00 0.00 O ATOM 671 CB ALA A 48 5.345 -1.463 -8.161 1.00 0.00 C ATOM 0 H ALA A 48 5.512 -3.886 -7.652 1.00 0.00 H new ATOM 0 HA ALA A 48 3.439 -2.185 -8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.212 -0.501 -8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.052 -1.377 -7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.392 -1.760 -8.221 1.00 0.00 H new ATOM 677 N VAL A 49 5.912 -3.337 -10.603 1.00 0.00 N ATOM 678 CA VAL A 49 6.346 -3.553 -11.973 1.00 0.00 C ATOM 679 C VAL A 49 5.170 -4.070 -12.802 1.00 0.00 C ATOM 680 O VAL A 49 5.127 -3.875 -14.016 1.00 0.00 O ATOM 681 CB VAL A 49 7.554 -4.492 -11.996 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.151 -5.891 -12.465 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.675 -3.923 -12.869 1.00 0.00 C ATOM 0 H VAL A 49 6.522 -3.742 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 49 6.671 -2.615 -12.423 1.00 0.00 H new ATOM 0 HB VAL A 49 7.933 -4.576 -10.977 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.028 -6.539 -12.472 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.403 -6.301 -11.787 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.735 -5.832 -13.471 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.521 -4.610 -12.868 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.313 -3.795 -13.889 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.991 -2.958 -12.473 1.00 0.00 H new ATOM 693 N GLN A 50 4.244 -4.722 -12.114 1.00 0.00 N ATOM 694 CA GLN A 50 3.070 -5.269 -12.772 1.00 0.00 C ATOM 695 C GLN A 50 1.962 -4.217 -12.843 1.00 0.00 C ATOM 696 O GLN A 50 1.521 -3.846 -13.931 1.00 0.00 O ATOM 697 CB GLN A 50 2.581 -6.532 -12.060 1.00 0.00 C ATOM 698 CG GLN A 50 3.676 -7.600 -12.024 1.00 0.00 C ATOM 699 CD GLN A 50 3.117 -8.943 -11.551 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.493 -9.282 -10.321 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.393 -9.626 -12.256 1.00 0.00 N flip ATOM 0 H GLN A 50 4.283 -4.884 -11.108 1.00 0.00 H new ATOM 0 HA GLN A 50 3.345 -5.548 -13.789 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.275 -6.285 -11.043 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.702 -6.925 -12.571 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.112 -7.713 -13.017 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.478 -7.281 -11.358 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.143 -9.306 -13.192 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.038 -10.517 -11.910 1.00 0.00 H new ATOM 708 N THR A 51 1.543 -3.764 -11.671 1.00 0.00 N ATOM 709 CA THR A 51 0.494 -2.761 -11.587 1.00 0.00 C ATOM 710 C THR A 51 0.825 -1.568 -12.484 1.00 0.00 C ATOM 711 O THR A 51 -0.061 -1.007 -13.128 1.00 0.00 O ATOM 712 CB THR A 51 0.319 -2.384 -10.114 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.653 -3.308 -9.632 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.347 -1.017 -9.936 1.00 0.00 C ATOM 0 H THR A 51 1.911 -4.073 -10.771 1.00 0.00 H new ATOM 0 HA THR A 51 -0.456 -3.149 -11.954 1.00 0.00 H new ATOM 0 HB THR A 51 1.291 -2.382 -9.621 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.360 -2.822 -9.158 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.448 -0.797 -8.873 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.266 -0.249 -10.409 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.334 -1.030 -10.399 1.00 0.00 H new ATOM 722 N GLU A 52 2.102 -1.214 -12.499 1.00 0.00 N ATOM 723 CA GLU A 52 2.560 -0.098 -13.307 1.00 0.00 C ATOM 724 C GLU A 52 2.586 -0.488 -14.786 1.00 0.00 C ATOM 725 O GLU A 52 2.913 0.331 -15.643 1.00 0.00 O ATOM 726 CB GLU A 52 3.935 0.387 -12.844 1.00 0.00 C ATOM 727 CG GLU A 52 3.805 1.390 -11.697 1.00 0.00 C ATOM 728 CD GLU A 52 5.149 1.598 -10.995 1.00 0.00 C ATOM 729 OE1 GLU A 52 6.152 1.902 -11.657 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.128 1.433 -9.715 1.00 0.00 O ATOM 0 H GLU A 52 2.834 -1.681 -11.964 1.00 0.00 H new ATOM 0 HA GLU A 52 1.859 0.727 -13.181 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.535 -0.464 -12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.461 0.850 -13.679 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.440 2.342 -12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.067 1.033 -10.979 1.00 0.00 H new ATOM 736 N ASP A 53 2.238 -1.742 -15.041 1.00 0.00 N ATOM 737 CA ASP A 53 2.217 -2.251 -16.401 1.00 0.00 C ATOM 738 C ASP A 53 0.787 -2.655 -16.768 1.00 0.00 C ATOM 739 O ASP A 53 0.197 -2.093 -17.690 1.00 0.00 O ATOM 740 CB ASP A 53 3.108 -3.487 -16.540 1.00 0.00 C ATOM 741 CG ASP A 53 4.108 -3.436 -17.697 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.268 -3.031 -17.520 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.650 -3.839 -18.832 1.00 0.00 O ATOM 0 H ASP A 53 1.969 -2.420 -14.328 1.00 0.00 H new ATOM 0 HA ASP A 53 2.585 -1.465 -17.061 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.659 -3.626 -15.610 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.472 -4.363 -16.668 1.00 0.00 H new ATOM 748 N LYS A 54 0.273 -3.626 -16.028 1.00 0.00 N ATOM 749 CA LYS A 54 -1.077 -4.111 -16.264 1.00 0.00 C ATOM 750 C LYS A 54 -1.998 -2.925 -16.554 1.00 0.00 C ATOM 751 O LYS A 54 -2.854 -3.000 -17.433 1.00 0.00 O ATOM 752 CB LYS A 54 -1.544 -4.982 -15.096 1.00 0.00 C ATOM 753 CG LYS A 54 -1.242 -6.459 -15.358 1.00 0.00 C ATOM 754 CD LYS A 54 -1.202 -7.251 -14.050 1.00 0.00 C ATOM 755 CE LYS A 54 -2.610 -7.658 -13.611 1.00 0.00 C ATOM 756 NZ LYS A 54 -3.057 -8.860 -14.351 1.00 0.00 N ATOM 0 H LYS A 54 0.766 -4.090 -15.265 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.102 -4.755 -17.143 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.049 -4.663 -14.179 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.615 -4.848 -14.943 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.002 -6.878 -16.018 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.286 -6.553 -15.873 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.586 -8.141 -14.179 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.734 -6.649 -13.271 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.619 -7.859 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.304 -6.836 -13.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.014 -9.123 -14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.067 -8.656 -15.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.404 -9.647 -14.162 1.00 0.00 H new ATOM 765 N TYR A 55 -1.790 -1.856 -15.798 1.00 0.00 N ATOM 766 CA TYR A 55 -2.592 -0.656 -15.962 1.00 0.00 C ATOM 767 C TYR A 55 -1.772 0.466 -16.604 1.00 0.00 C ATOM 768 O TYR A 55 -2.234 1.121 -17.537 1.00 0.00 O ATOM 769 CB TYR A 55 -3.004 -0.227 -14.553 1.00 0.00 C ATOM 770 CG TYR A 55 -4.010 0.924 -14.522 1.00 0.00 C ATOM 771 CD1 TYR A 55 -3.578 2.224 -14.696 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.350 0.664 -14.321 1.00 0.00 C ATOM 773 CE1 TYR A 55 -4.525 3.308 -14.667 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.298 1.749 -14.291 1.00 0.00 C ATOM 775 CZ TYR A 55 -5.838 3.016 -14.466 1.00 0.00 C ATOM 776 OH TYR A 55 -6.733 4.041 -14.438 1.00 0.00 O ATOM 0 H TYR A 55 -1.077 -1.797 -15.071 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.449 -0.852 -16.606 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.433 -1.084 -14.034 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.113 0.068 -13.999 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.529 2.428 -14.854 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.688 -0.353 -14.186 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.200 4.329 -14.802 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.350 1.560 -14.133 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.634 3.685 -14.287 1.00 0.00 H new ATOM 785 N GLY A 56 -0.571 0.653 -16.078 1.00 0.00 N ATOM 786 CA GLY A 56 0.317 1.684 -16.588 1.00 0.00 C ATOM 787 C GLY A 56 0.460 2.829 -15.584 1.00 0.00 C ATOM 788 O GLY A 56 1.019 3.877 -15.906 1.00 0.00 O ATOM 0 H GLY A 56 -0.192 0.108 -15.304 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.297 1.254 -16.797 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.070 2.069 -17.531 1.00 0.00 H new ATOM 792 N VAL A 57 -0.053 2.592 -14.385 1.00 0.00 N ATOM 793 CA VAL A 57 0.010 3.590 -13.332 1.00 0.00 C ATOM 794 C VAL A 57 1.433 4.146 -13.247 1.00 0.00 C ATOM 795 O VAL A 57 2.390 3.475 -13.633 1.00 0.00 O ATOM 796 CB VAL A 57 -0.477 2.990 -12.012 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.923 2.505 -12.131 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.444 1.860 -11.551 1.00 0.00 C ATOM 0 H VAL A 57 -0.515 1.722 -14.120 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.653 4.425 -13.558 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.448 3.775 -11.256 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.245 2.083 -11.179 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.568 3.344 -12.392 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.988 1.742 -12.907 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.075 1.451 -10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.462 1.074 -12.306 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.452 2.248 -11.407 1.00 0.00 H new ATOM 808 N LYS A 58 1.529 5.366 -12.739 1.00 0.00 N ATOM 809 CA LYS A 58 2.819 6.019 -12.599 1.00 0.00 C ATOM 810 C LYS A 58 3.178 6.117 -11.115 1.00 0.00 C ATOM 811 O LYS A 58 2.435 6.707 -10.331 1.00 0.00 O ATOM 812 CB LYS A 58 2.819 7.368 -13.322 1.00 0.00 C ATOM 813 CG LYS A 58 1.832 8.338 -12.670 1.00 0.00 C ATOM 814 CD LYS A 58 2.492 9.098 -11.518 1.00 0.00 C ATOM 815 CE LYS A 58 1.489 9.363 -10.392 1.00 0.00 C ATOM 816 NZ LYS A 58 0.355 10.175 -10.887 1.00 0.00 N ATOM 0 H LYS A 58 0.734 5.919 -12.419 1.00 0.00 H new ATOM 0 HA LYS A 58 3.599 5.427 -13.078 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.822 7.795 -13.302 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.555 7.223 -14.370 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.466 9.045 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.967 7.788 -12.300 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.334 8.523 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.893 10.044 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.120 8.417 -9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.984 9.882 -9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.206 10.516 -10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.719 10.988 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.246 9.592 -11.505 1.00 0.00 H new ATOM 825 N ILE A 59 4.315 5.530 -10.773 1.00 0.00 N ATOM 826 CA ILE A 59 4.781 5.544 -9.397 1.00 0.00 C ATOM 827 C ILE A 59 6.301 5.370 -9.376 1.00 0.00 C ATOM 828 O ILE A 59 6.803 4.307 -9.017 1.00 0.00 O ATOM 829 CB ILE A 59 4.031 4.501 -8.568 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.524 4.759 -8.593 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.578 4.439 -7.140 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.794 3.851 -7.601 1.00 0.00 C ATOM 0 H ILE A 59 4.928 5.041 -11.426 1.00 0.00 H new ATOM 0 HA ILE A 59 4.564 6.505 -8.930 1.00 0.00 H new ATOM 0 HB ILE A 59 4.197 3.523 -9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.326 5.803 -8.349 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.139 4.588 -9.598 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.027 3.689 -6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.634 4.171 -7.166 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.463 5.413 -6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.724 4.056 -7.640 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.974 2.808 -7.862 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.164 4.041 -6.593 1.00 0.00 H new ATOM 843 N PRO A 60 7.009 6.460 -9.777 1.00 0.00 N ATOM 844 CA PRO A 60 8.463 6.438 -9.807 1.00 0.00 C ATOM 845 C PRO A 60 9.041 6.538 -8.394 1.00 0.00 C ATOM 846 O PRO A 60 8.313 6.793 -7.437 1.00 0.00 O ATOM 847 CB PRO A 60 8.855 7.609 -10.694 1.00 0.00 C ATOM 848 CG PRO A 60 7.637 8.517 -10.749 1.00 0.00 C ATOM 849 CD PRO A 60 6.449 7.736 -10.210 1.00 0.00 C ATOM 0 HA PRO A 60 8.863 5.504 -10.203 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.717 8.136 -10.286 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.133 7.268 -11.691 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.804 9.416 -10.156 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.448 8.841 -11.772 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.973 8.261 -9.382 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.688 7.594 -10.977 1.00 0.00 H new ATOM 854 N ASP A 61 10.347 6.330 -8.309 1.00 0.00 N ATOM 855 CA ASP A 61 11.033 6.393 -7.029 1.00 0.00 C ATOM 856 C ASP A 61 10.752 7.746 -6.371 1.00 0.00 C ATOM 857 O ASP A 61 10.556 7.821 -5.159 1.00 0.00 O ATOM 858 CB ASP A 61 12.546 6.260 -7.208 1.00 0.00 C ATOM 859 CG ASP A 61 13.129 4.904 -6.807 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.396 4.045 -7.662 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.309 4.741 -5.541 1.00 0.00 O ATOM 0 H ASP A 61 10.948 6.118 -9.105 1.00 0.00 H new ATOM 0 HA ASP A 61 10.669 5.572 -6.411 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.791 6.449 -8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.036 7.037 -6.621 1.00 0.00 H new ATOM 866 N GLU A 62 10.741 8.780 -7.199 1.00 0.00 N ATOM 867 CA GLU A 62 10.487 10.125 -6.712 1.00 0.00 C ATOM 868 C GLU A 62 9.358 10.111 -5.680 1.00 0.00 C ATOM 869 O GLU A 62 9.301 10.975 -4.805 1.00 0.00 O ATOM 870 CB GLU A 62 10.162 11.075 -7.867 1.00 0.00 C ATOM 871 CG GLU A 62 11.342 11.182 -8.836 1.00 0.00 C ATOM 872 CD GLU A 62 11.870 12.617 -8.898 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.544 13.437 -8.027 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.650 12.868 -9.895 1.00 0.00 O ATOM 0 H GLU A 62 10.904 8.714 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 62 11.392 10.492 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.280 10.718 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.919 12.062 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.140 10.510 -8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.031 10.861 -9.830 1.00 0.00 H new ATOM 880 N ASP A 63 8.487 9.122 -5.815 1.00 0.00 N ATOM 881 CA ASP A 63 7.363 8.986 -4.905 1.00 0.00 C ATOM 882 C ASP A 63 7.502 7.678 -4.123 1.00 0.00 C ATOM 883 O ASP A 63 7.279 7.647 -2.913 1.00 0.00 O ATOM 884 CB ASP A 63 6.038 8.941 -5.669 1.00 0.00 C ATOM 885 CG ASP A 63 5.014 9.997 -5.250 1.00 0.00 C ATOM 886 OD1 ASP A 63 5.105 11.168 -5.646 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.078 9.571 -4.472 1.00 0.00 O ATOM 0 H ASP A 63 8.537 8.407 -6.541 1.00 0.00 H new ATOM 0 HA ASP A 63 7.364 9.846 -4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.245 9.059 -6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.594 7.954 -5.538 1.00 0.00 H new ATOM 892 N LEU A 64 7.868 6.630 -4.846 1.00 0.00 N ATOM 893 CA LEU A 64 8.039 5.322 -4.235 1.00 0.00 C ATOM 894 C LEU A 64 8.870 5.465 -2.957 1.00 0.00 C ATOM 895 O LEU A 64 8.766 4.643 -2.050 1.00 0.00 O ATOM 896 CB LEU A 64 8.628 4.332 -5.242 1.00 0.00 C ATOM 897 CG LEU A 64 8.221 2.869 -5.061 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.572 2.373 -3.657 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.740 2.667 -5.386 1.00 0.00 C ATOM 0 H LEU A 64 8.051 6.660 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 64 7.073 4.909 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.338 4.648 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.715 4.395 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 64 8.791 2.266 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.272 1.330 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.647 2.459 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.047 2.976 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.477 1.618 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.134 3.283 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.552 2.956 -6.420 1.00 0.00 H new ATOM 910 N ALA A 65 9.675 6.518 -2.928 1.00 0.00 N ATOM 911 CA ALA A 65 10.523 6.780 -1.777 1.00 0.00 C ATOM 912 C ALA A 65 9.651 7.200 -0.593 1.00 0.00 C ATOM 913 O ALA A 65 9.847 6.726 0.526 1.00 0.00 O ATOM 914 CB ALA A 65 11.563 7.841 -2.141 1.00 0.00 C ATOM 0 H ALA A 65 9.758 7.199 -3.683 1.00 0.00 H new ATOM 0 HA ALA A 65 11.064 5.880 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.199 8.038 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.175 7.482 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.057 8.760 -2.436 1.00 0.00 H new ATOM 920 N GLY A 66 8.705 8.083 -0.878 1.00 0.00 N ATOM 921 CA GLY A 66 7.802 8.571 0.150 1.00 0.00 C ATOM 922 C GLY A 66 6.760 7.511 0.514 1.00 0.00 C ATOM 923 O GLY A 66 6.530 7.239 1.691 1.00 0.00 O ATOM 0 H GLY A 66 8.544 8.473 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.371 8.846 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.301 9.473 -0.200 1.00 0.00 H new ATOM 927 N LEU A 67 6.158 6.941 -0.519 1.00 0.00 N ATOM 928 CA LEU A 67 5.145 5.918 -0.324 1.00 0.00 C ATOM 929 C LEU A 67 5.566 5.005 0.830 1.00 0.00 C ATOM 930 O LEU A 67 6.642 4.410 0.795 1.00 0.00 O ATOM 931 CB LEU A 67 4.878 5.172 -1.633 1.00 0.00 C ATOM 932 CG LEU A 67 4.400 6.028 -2.807 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.842 5.153 -3.932 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.388 7.078 -2.343 1.00 0.00 C ATOM 0 H LEU A 67 6.352 7.168 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 67 4.194 6.371 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.794 4.662 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.131 4.401 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 67 5.259 6.564 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.509 5.786 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.620 4.477 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.999 4.572 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.064 7.673 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.526 6.581 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.853 7.729 -1.602 1.00 0.00 H new ATOM 945 N ARG A 68 4.695 4.921 1.824 1.00 0.00 N ATOM 946 CA ARG A 68 4.963 4.091 2.986 1.00 0.00 C ATOM 947 C ARG A 68 3.944 2.952 3.070 1.00 0.00 C ATOM 948 O ARG A 68 4.294 1.827 3.425 1.00 0.00 O ATOM 949 CB ARG A 68 4.905 4.913 4.276 1.00 0.00 C ATOM 950 CG ARG A 68 6.289 5.023 4.918 1.00 0.00 C ATOM 951 CD ARG A 68 6.228 4.701 6.412 1.00 0.00 C ATOM 952 NE ARG A 68 7.319 5.401 7.127 1.00 0.00 N ATOM 953 CZ ARG A 68 7.813 5.014 8.321 1.00 0.00 C ATOM 954 NH1 ARG A 68 7.316 3.926 8.948 1.00 0.00 N ATOM 955 NH2 ARG A 68 8.788 5.714 8.868 1.00 0.00 N ATOM 0 H ARG A 68 3.803 5.414 1.849 1.00 0.00 H new ATOM 0 HA ARG A 68 5.966 3.680 2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.520 5.910 4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.211 4.449 4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.979 4.339 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.681 6.030 4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.263 5.004 6.818 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.314 3.625 6.564 1.00 0.00 H new ATOM 0 HE ARG A 68 7.723 6.229 6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.562 3.390 8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.695 3.640 9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.158 6.535 8.389 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.172 5.434 9.770 1.00 0.00 H new ATOM 964 N THR A 69 2.706 3.282 2.738 1.00 0.00 N ATOM 965 CA THR A 69 1.635 2.300 2.771 1.00 0.00 C ATOM 966 C THR A 69 0.846 2.328 1.460 1.00 0.00 C ATOM 967 O THR A 69 0.979 3.261 0.670 1.00 0.00 O ATOM 968 CB THR A 69 0.774 2.581 4.004 1.00 0.00 C ATOM 969 OG1 THR A 69 0.262 3.892 3.779 1.00 0.00 O ATOM 970 CG2 THR A 69 1.607 2.721 5.280 1.00 0.00 C ATOM 0 H THR A 69 2.419 4.216 2.445 1.00 0.00 H new ATOM 0 HA THR A 69 2.029 1.287 2.856 1.00 0.00 H new ATOM 0 HB THR A 69 0.048 1.778 4.130 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.310 4.153 4.531 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.948 2.920 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.157 1.797 5.458 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.310 3.546 5.167 1.00 0.00 H new ATOM 978 N VAL A 70 0.040 1.293 1.270 1.00 0.00 N ATOM 979 CA VAL A 70 -0.771 1.187 0.068 1.00 0.00 C ATOM 980 C VAL A 70 -1.580 2.473 -0.110 1.00 0.00 C ATOM 981 O VAL A 70 -1.619 3.040 -1.201 1.00 0.00 O ATOM 982 CB VAL A 70 -1.647 -0.066 0.138 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.291 -0.359 -1.218 1.00 0.00 C ATOM 984 CG2 VAL A 70 -0.843 -1.270 0.635 1.00 0.00 C ATOM 0 H VAL A 70 -0.069 0.521 1.928 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.138 1.076 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.446 0.122 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.908 -1.254 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.912 0.486 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.512 -0.518 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.489 -2.147 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.014 -1.461 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.452 -1.061 1.631 1.00 0.00 H new ATOM 994 N GLY A 71 -2.208 2.896 0.977 1.00 0.00 N ATOM 995 CA GLY A 71 -3.014 4.105 0.954 1.00 0.00 C ATOM 996 C GLY A 71 -2.217 5.285 0.397 1.00 0.00 C ATOM 997 O GLY A 71 -2.785 6.190 -0.213 1.00 0.00 O ATOM 0 H GLY A 71 -2.175 2.423 1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.903 3.942 0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.357 4.337 1.962 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.913 5.239 0.626 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.031 6.292 0.155 1.00 0.00 C ATOM 1003 C ASP A 72 0.390 5.994 -1.286 1.00 0.00 C ATOM 1004 O ASP A 72 0.680 6.909 -2.054 1.00 0.00 O ATOM 1005 CB ASP A 72 1.235 6.376 1.009 1.00 0.00 C ATOM 1006 CG ASP A 72 1.767 7.792 1.240 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.328 8.753 0.593 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.687 7.888 2.140 1.00 0.00 O ATOM 0 H ASP A 72 -0.446 4.487 1.133 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.572 7.236 0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.033 5.918 1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.016 5.784 0.533 1.00 0.00 H new ATOM 1013 N VAL A 73 0.409 4.709 -1.609 1.00 0.00 N ATOM 1014 CA VAL A 73 0.790 4.277 -2.943 1.00 0.00 C ATOM 1015 C VAL A 73 -0.421 4.383 -3.872 1.00 0.00 C ATOM 1016 O VAL A 73 -0.270 4.412 -5.093 1.00 0.00 O ATOM 1017 CB VAL A 73 1.381 2.868 -2.889 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.980 2.472 -4.239 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.421 2.752 -1.773 1.00 0.00 C ATOM 0 H VAL A 73 0.166 3.953 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 73 1.568 4.924 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 73 0.571 2.174 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.393 1.466 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.203 2.495 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.772 3.172 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.826 1.740 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.228 3.463 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.951 2.971 -0.814 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.595 4.437 -3.260 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.830 4.539 -4.017 1.00 0.00 C ATOM 1031 C VAL A 74 -3.182 6.014 -4.216 1.00 0.00 C ATOM 1032 O VAL A 74 -3.457 6.445 -5.335 1.00 0.00 O ATOM 1033 CB VAL A 74 -3.939 3.749 -3.318 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.278 3.933 -4.034 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.573 2.266 -3.213 1.00 0.00 C ATOM 0 H VAL A 74 -1.716 4.412 -2.248 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.708 4.098 -5.006 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.043 4.141 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.049 3.361 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.548 4.989 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.193 3.580 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.378 1.727 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.428 1.855 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.652 2.158 -2.639 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.163 6.748 -3.113 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.476 8.167 -3.152 1.00 0.00 C ATOM 1047 C ALA A 75 -2.704 8.823 -4.299 1.00 0.00 C ATOM 1048 O ALA A 75 -3.301 9.440 -5.180 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.155 8.798 -1.796 1.00 0.00 C ATOM 0 H ALA A 75 -2.936 6.387 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.539 8.321 -3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.390 9.862 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.750 8.316 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.096 8.666 -1.575 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.389 8.668 -4.250 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.530 9.239 -5.274 1.00 0.00 C ATOM 1057 C TYR A 76 -1.097 8.979 -6.671 1.00 0.00 C ATOM 1058 O TYR A 76 -0.904 9.784 -7.582 1.00 0.00 O ATOM 1059 CB TYR A 76 0.816 8.524 -5.141 1.00 0.00 C ATOM 1060 CG TYR A 76 1.898 9.055 -6.083 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.865 10.369 -6.502 1.00 0.00 C ATOM 1062 CD2 TYR A 76 2.907 8.219 -6.515 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.883 10.870 -7.388 1.00 0.00 C ATOM 1064 CE2 TYR A 76 3.926 8.719 -7.402 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.863 10.020 -7.795 1.00 0.00 C ATOM 1066 OH TYR A 76 4.825 10.491 -8.632 1.00 0.00 O ATOM 0 H TYR A 76 -0.898 8.156 -3.518 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.444 10.318 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.166 8.618 -4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.672 7.461 -5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.074 11.023 -6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.933 7.190 -6.188 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.869 11.897 -7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.722 8.076 -7.747 1.00 0.00 H new ATOM 0 HH TYR A 76 5.487 10.999 -8.117 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.783 7.853 -6.797 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.377 7.478 -8.069 1.00 0.00 C ATOM 1077 C ILE A 77 -3.709 8.212 -8.241 1.00 0.00 C ATOM 1078 O ILE A 77 -3.809 9.145 -9.035 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.496 5.956 -8.177 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.227 5.270 -7.670 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.845 5.533 -9.605 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.428 3.757 -7.556 1.00 0.00 C ATOM 0 H ILE A 77 -1.941 7.188 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.734 7.784 -8.894 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.316 5.631 -7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.400 5.480 -8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.953 5.678 -6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.924 4.447 -9.654 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.797 5.979 -9.894 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.064 5.871 -10.286 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.510 3.294 -7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.239 3.549 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.678 3.348 -8.535 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.698 7.763 -7.482 1.00 0.00 N ATOM 1094 CA GLN A 78 -6.018 8.366 -7.540 1.00 0.00 C ATOM 1095 C GLN A 78 -5.914 9.887 -7.415 1.00 0.00 C ATOM 1096 O GLN A 78 -6.381 10.619 -8.287 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.934 7.788 -6.459 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.130 6.283 -6.654 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.453 5.595 -5.325 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -7.530 6.217 -4.277 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -7.637 4.282 -5.426 1.00 0.00 N ATOM 0 H GLN A 78 -4.611 6.989 -6.824 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.460 8.131 -8.508 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.506 7.978 -5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.900 8.291 -6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.938 6.107 -7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.227 5.848 -7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.558 3.824 -6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.857 3.733 -4.595 1.00 0.00 H new ATOM 1108 N LYS A 79 -5.299 10.317 -6.323 1.00 0.00 N ATOM 1109 CA LYS A 79 -5.127 11.738 -6.072 1.00 0.00 C ATOM 1110 C LYS A 79 -4.804 12.448 -7.388 1.00 0.00 C ATOM 1111 O LYS A 79 -5.405 13.472 -7.709 1.00 0.00 O ATOM 1112 CB LYS A 79 -4.082 11.966 -4.978 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.507 11.301 -3.667 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.642 12.081 -2.999 1.00 0.00 C ATOM 1115 CE LYS A 79 -5.094 13.245 -2.173 1.00 0.00 C ATOM 1116 NZ LYS A 79 -5.999 13.547 -1.040 1.00 0.00 N ATOM 0 H LYS A 79 -4.914 9.707 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.052 12.173 -5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.121 11.564 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.944 13.035 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.829 10.278 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.654 11.243 -2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.325 12.460 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.218 11.414 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.101 12.997 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.985 14.127 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.613 14.340 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.938 13.804 -1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.082 12.709 -0.429 1.00 0.00 H new