USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=18 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= 0.068 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.72 F(o=-3.5,f=-1.7) USER MOD Single : A 20 THR OG1 : rot -36:sc= -0.838 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00202 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.016) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc=0.000363 USER MOD Single : A 43 SER OG : rot 140:sc= -6.46! USER MOD Single : A 44 MET CE :methyl 166:sc= -0.286 (180deg=-0.896) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.598 F(o=-2,f=-0.6) USER MOD Single : A 51 THR OG1 : rot 131:sc= -1.23 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 165:sc= -0.382 USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= -1.98! (180deg=-4.72!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -2.81 F(o=-3.8!,f=-2.8) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0953) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.977 1.802 -8.265 1.00 0.00 N ATOM 44 CA THR A 4 -10.583 2.047 -6.967 1.00 0.00 C ATOM 45 C THR A 4 -9.813 1.306 -5.872 1.00 0.00 C ATOM 46 O THR A 4 -8.772 0.708 -6.136 1.00 0.00 O ATOM 47 CB THR A 4 -12.057 1.647 -7.050 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.690 2.438 -6.048 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.300 0.206 -6.595 1.00 0.00 C ATOM 0 HA THR A 4 -10.533 3.102 -6.700 1.00 0.00 H new ATOM 0 HB THR A 4 -12.407 1.768 -8.075 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.650 2.242 -6.035 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.362 -0.026 -6.674 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.731 -0.476 -7.227 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.980 0.093 -5.559 1.00 0.00 H new ATOM 57 N GLN A 5 -10.357 1.370 -4.665 1.00 0.00 N ATOM 58 CA GLN A 5 -9.734 0.713 -3.529 1.00 0.00 C ATOM 59 C GLN A 5 -9.501 -0.769 -3.834 1.00 0.00 C ATOM 60 O GLN A 5 -8.358 -1.211 -3.940 1.00 0.00 O ATOM 61 CB GLN A 5 -10.580 0.885 -2.265 1.00 0.00 C ATOM 62 CG GLN A 5 -9.887 0.259 -1.053 1.00 0.00 C ATOM 63 CD GLN A 5 -8.874 1.227 -0.439 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.735 1.321 -1.119 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -9.111 1.848 0.584 1.00 0.00 N flip ATOM 0 H GLN A 5 -11.222 1.866 -4.450 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.767 1.183 -3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.755 1.945 -2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.556 0.422 -2.410 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.632 -0.016 -0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.382 -0.659 -1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.007 1.729 1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.413 2.486 0.966 1.00 0.00 H new ATOM 72 N GLU A 6 -10.601 -1.493 -3.968 1.00 0.00 N ATOM 73 CA GLU A 6 -10.531 -2.914 -4.259 1.00 0.00 C ATOM 74 C GLU A 6 -9.623 -3.165 -5.465 1.00 0.00 C ATOM 75 O GLU A 6 -9.136 -4.278 -5.660 1.00 0.00 O ATOM 76 CB GLU A 6 -11.927 -3.496 -4.493 1.00 0.00 C ATOM 77 CG GLU A 6 -12.375 -4.344 -3.301 1.00 0.00 C ATOM 78 CD GLU A 6 -13.856 -4.116 -2.992 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.725 -4.650 -3.697 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.090 -3.354 -1.978 1.00 0.00 O ATOM 0 H GLU A 6 -11.547 -1.122 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.103 -3.421 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.639 -2.687 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.924 -4.106 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.203 -5.399 -3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.775 -4.094 -2.426 1.00 0.00 H new ATOM 86 N GLU A 7 -9.422 -2.111 -6.243 1.00 0.00 N ATOM 87 CA GLU A 7 -8.581 -2.203 -7.424 1.00 0.00 C ATOM 88 C GLU A 7 -7.106 -2.260 -7.022 1.00 0.00 C ATOM 89 O GLU A 7 -6.337 -3.041 -7.581 1.00 0.00 O ATOM 90 CB GLU A 7 -8.845 -1.035 -8.376 1.00 0.00 C ATOM 91 CG GLU A 7 -9.409 -1.531 -9.709 1.00 0.00 C ATOM 92 CD GLU A 7 -10.789 -2.164 -9.520 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.673 -1.550 -8.903 1.00 0.00 O ATOM 94 OE2 GLU A 7 -10.928 -3.336 -10.040 1.00 0.00 O ATOM 0 H GLU A 7 -9.827 -1.189 -6.078 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.829 -3.123 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.546 -0.338 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.919 -0.487 -8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.480 -0.699 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.728 -2.260 -10.147 1.00 0.00 H new ATOM 100 N ILE A 8 -6.756 -1.423 -6.057 1.00 0.00 N ATOM 101 CA ILE A 8 -5.386 -1.369 -5.574 1.00 0.00 C ATOM 102 C ILE A 8 -5.248 -2.265 -4.342 1.00 0.00 C ATOM 103 O ILE A 8 -4.152 -2.426 -3.806 1.00 0.00 O ATOM 104 CB ILE A 8 -4.961 0.081 -5.330 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.519 1.006 -6.414 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.441 0.194 -5.206 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.430 2.471 -5.983 1.00 0.00 C ATOM 0 H ILE A 8 -7.397 -0.777 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.701 -1.756 -6.328 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.386 0.406 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.964 0.862 -7.341 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.557 0.746 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.166 1.235 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.098 -0.416 -4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.974 -0.156 -6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.833 3.107 -6.771 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.006 2.617 -5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.388 2.734 -5.802 1.00 0.00 H new ATOM 118 N ILE A 9 -6.375 -2.827 -3.930 1.00 0.00 N ATOM 119 CA ILE A 9 -6.394 -3.705 -2.771 1.00 0.00 C ATOM 120 C ILE A 9 -6.548 -5.154 -3.237 1.00 0.00 C ATOM 121 O ILE A 9 -5.894 -6.052 -2.709 1.00 0.00 O ATOM 122 CB ILE A 9 -7.470 -3.260 -1.780 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.171 -1.861 -1.236 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.640 -4.286 -0.658 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.782 -1.669 0.152 1.00 0.00 C ATOM 0 H ILE A 9 -7.282 -2.692 -4.378 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.450 -3.643 -2.230 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.420 -3.203 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.093 -1.709 -1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.568 -1.109 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.411 -3.945 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.933 -5.246 -1.084 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.697 -4.399 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.554 -0.667 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.863 -1.797 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.365 -2.406 0.838 1.00 0.00 H new ATOM 136 N ALA A 10 -7.415 -5.337 -4.221 1.00 0.00 N ATOM 137 CA ALA A 10 -7.664 -6.662 -4.763 1.00 0.00 C ATOM 138 C ALA A 10 -6.761 -6.888 -5.977 1.00 0.00 C ATOM 139 O ALA A 10 -6.278 -7.998 -6.198 1.00 0.00 O ATOM 140 CB ALA A 10 -9.148 -6.803 -5.106 1.00 0.00 C ATOM 0 H ALA A 10 -7.954 -4.589 -4.658 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.426 -7.429 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.335 -7.797 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.745 -6.662 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.424 -6.051 -5.845 1.00 0.00 H new ATOM 146 N GLY A 11 -6.559 -5.819 -6.733 1.00 0.00 N ATOM 147 CA GLY A 11 -5.723 -5.887 -7.919 1.00 0.00 C ATOM 148 C GLY A 11 -4.255 -6.095 -7.543 1.00 0.00 C ATOM 149 O GLY A 11 -3.556 -6.888 -8.172 1.00 0.00 O ATOM 0 H GLY A 11 -6.960 -4.900 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.058 -6.704 -8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.828 -4.968 -8.496 1.00 0.00 H new ATOM 153 N ILE A 12 -3.831 -5.371 -6.518 1.00 0.00 N ATOM 154 CA ILE A 12 -2.458 -5.466 -6.052 1.00 0.00 C ATOM 155 C ILE A 12 -2.289 -6.753 -5.240 1.00 0.00 C ATOM 156 O ILE A 12 -1.401 -7.555 -5.520 1.00 0.00 O ATOM 157 CB ILE A 12 -2.063 -4.201 -5.288 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.989 -2.995 -6.227 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.757 -4.410 -4.519 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.732 -2.166 -5.956 1.00 0.00 C ATOM 0 H ILE A 12 -4.414 -4.716 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.772 -5.528 -6.896 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.839 -3.990 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.988 -3.335 -7.263 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.874 -2.373 -6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.499 -3.496 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.881 -5.224 -3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.041 -4.659 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.704 -1.315 -6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.748 -1.807 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.152 -2.784 -6.111 1.00 0.00 H new ATOM 171 N ALA A 13 -3.155 -6.907 -4.249 1.00 0.00 N ATOM 172 CA ALA A 13 -3.112 -8.082 -3.394 1.00 0.00 C ATOM 173 C ALA A 13 -2.841 -9.320 -4.251 1.00 0.00 C ATOM 174 O ALA A 13 -1.981 -10.133 -3.917 1.00 0.00 O ATOM 175 CB ALA A 13 -4.421 -8.190 -2.611 1.00 0.00 C ATOM 0 H ALA A 13 -3.890 -6.238 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.303 -8.000 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.390 -9.071 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.553 -7.299 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.255 -8.278 -3.307 1.00 0.00 H new ATOM 181 N GLU A 14 -3.590 -9.424 -5.339 1.00 0.00 N ATOM 182 CA GLU A 14 -3.441 -10.550 -6.245 1.00 0.00 C ATOM 183 C GLU A 14 -2.008 -10.617 -6.775 1.00 0.00 C ATOM 184 O GLU A 14 -1.407 -11.690 -6.815 1.00 0.00 O ATOM 185 CB GLU A 14 -4.448 -10.465 -7.394 1.00 0.00 C ATOM 186 CG GLU A 14 -5.739 -11.210 -7.049 1.00 0.00 C ATOM 187 CD GLU A 14 -6.579 -11.461 -8.303 1.00 0.00 C ATOM 188 OE1 GLU A 14 -6.704 -10.569 -9.154 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.112 -12.634 -8.376 1.00 0.00 O ATOM 0 H GLU A 14 -4.302 -8.747 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.647 -11.467 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.673 -9.420 -7.608 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.010 -10.889 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.498 -12.160 -6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.317 -10.630 -6.330 1.00 0.00 H new ATOM 195 N ILE A 15 -1.501 -9.459 -7.171 1.00 0.00 N ATOM 196 CA ILE A 15 -0.149 -9.373 -7.698 1.00 0.00 C ATOM 197 C ILE A 15 0.847 -9.724 -6.590 1.00 0.00 C ATOM 198 O ILE A 15 1.787 -10.485 -6.814 1.00 0.00 O ATOM 199 CB ILE A 15 0.093 -8.003 -8.332 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.825 -7.786 -9.537 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.568 -7.819 -8.694 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.546 -6.438 -10.204 1.00 0.00 C ATOM 0 H ILE A 15 -2.002 -8.571 -7.138 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.005 -10.098 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.156 -7.238 -7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.679 -8.590 -10.259 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.866 -7.829 -9.218 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.713 -6.836 -9.143 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.176 -7.899 -7.793 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.867 -8.590 -9.404 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.212 -6.309 -11.057 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.716 -5.635 -9.487 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.489 -6.408 -10.544 1.00 0.00 H new ATOM 213 N ILE A 16 0.607 -9.152 -5.420 1.00 0.00 N ATOM 214 CA ILE A 16 1.472 -9.394 -4.278 1.00 0.00 C ATOM 215 C ILE A 16 1.611 -10.902 -4.058 1.00 0.00 C ATOM 216 O ILE A 16 2.663 -11.377 -3.633 1.00 0.00 O ATOM 217 CB ILE A 16 0.962 -8.639 -3.049 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.884 -7.135 -3.323 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.814 -8.954 -1.818 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.565 -6.361 -2.042 1.00 0.00 C ATOM 0 H ILE A 16 -0.174 -8.522 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 16 2.472 -9.006 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.051 -8.981 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.831 -6.787 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.117 -6.937 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.429 -8.404 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.774 -10.024 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.847 -8.659 -2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.515 -5.295 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.394 -6.694 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.346 -6.542 -1.304 1.00 0.00 H new ATOM 231 N GLU A 17 0.534 -11.613 -4.359 1.00 0.00 N ATOM 232 CA GLU A 17 0.522 -13.057 -4.200 1.00 0.00 C ATOM 233 C GLU A 17 1.317 -13.722 -5.326 1.00 0.00 C ATOM 234 O GLU A 17 1.401 -14.946 -5.392 1.00 0.00 O ATOM 235 CB GLU A 17 -0.911 -13.591 -4.153 1.00 0.00 C ATOM 236 CG GLU A 17 -0.930 -15.076 -3.786 1.00 0.00 C ATOM 237 CD GLU A 17 -2.295 -15.486 -3.227 1.00 0.00 C ATOM 238 OE1 GLU A 17 -3.332 -15.149 -3.816 1.00 0.00 O ATOM 239 OE2 GLU A 17 -2.253 -16.180 -2.140 1.00 0.00 O ATOM 0 H GLU A 17 -0.336 -11.216 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 17 0.998 -13.302 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.490 -13.025 -3.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.389 -13.446 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.699 -15.675 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.154 -15.282 -3.048 1.00 0.00 H new ATOM 245 N GLU A 18 1.880 -12.883 -6.183 1.00 0.00 N ATOM 246 CA GLU A 18 2.667 -13.374 -7.303 1.00 0.00 C ATOM 247 C GLU A 18 4.158 -13.149 -7.043 1.00 0.00 C ATOM 248 O GLU A 18 4.963 -14.065 -7.198 1.00 0.00 O ATOM 249 CB GLU A 18 2.231 -12.710 -8.611 1.00 0.00 C ATOM 250 CG GLU A 18 0.744 -12.950 -8.879 1.00 0.00 C ATOM 251 CD GLU A 18 0.546 -13.863 -10.091 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.933 -15.040 -10.052 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.034 -13.308 -11.102 1.00 0.00 O ATOM 0 H GLU A 18 1.807 -11.867 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 18 2.494 -14.446 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.427 -11.639 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.821 -13.105 -9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.280 -13.400 -8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.243 -11.997 -9.051 1.00 0.00 H new ATOM 259 N VAL A 19 4.480 -11.924 -6.654 1.00 0.00 N ATOM 260 CA VAL A 19 5.860 -11.568 -6.372 1.00 0.00 C ATOM 261 C VAL A 19 6.258 -12.127 -5.005 1.00 0.00 C ATOM 262 O VAL A 19 7.093 -13.025 -4.917 1.00 0.00 O ATOM 263 CB VAL A 19 6.039 -10.052 -6.473 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.516 -9.683 -6.635 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.202 -9.475 -7.616 1.00 0.00 C ATOM 0 H VAL A 19 3.809 -11.166 -6.528 1.00 0.00 H new ATOM 0 HA VAL A 19 6.528 -12.012 -7.111 1.00 0.00 H new ATOM 0 HB VAL A 19 5.683 -9.611 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.615 -8.600 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.078 -10.044 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.908 -10.142 -7.542 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.348 -8.396 -7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.513 -9.926 -8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.148 -9.691 -7.440 1.00 0.00 H new ATOM 275 N THR A 20 5.640 -11.572 -3.972 1.00 0.00 N ATOM 276 CA THR A 20 5.920 -12.004 -2.613 1.00 0.00 C ATOM 277 C THR A 20 5.289 -13.373 -2.348 1.00 0.00 C ATOM 278 O THR A 20 5.831 -14.175 -1.590 1.00 0.00 O ATOM 279 CB THR A 20 5.427 -10.914 -1.659 1.00 0.00 C ATOM 280 OG1 THR A 20 4.010 -10.942 -1.802 1.00 0.00 O ATOM 281 CG2 THR A 20 5.822 -9.509 -2.122 1.00 0.00 C ATOM 0 H THR A 20 4.947 -10.828 -4.049 1.00 0.00 H new ATOM 0 HA THR A 20 6.990 -12.137 -2.453 1.00 0.00 H new ATOM 0 HB THR A 20 5.830 -11.094 -0.662 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.779 -11.132 -2.735 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.448 -8.773 -1.410 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.908 -9.437 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.391 -9.315 -3.104 1.00 0.00 H new ATOM 289 N GLY A 21 4.150 -13.598 -2.988 1.00 0.00 N ATOM 290 CA GLY A 21 3.440 -14.855 -2.832 1.00 0.00 C ATOM 291 C GLY A 21 2.550 -14.832 -1.587 1.00 0.00 C ATOM 292 O GLY A 21 2.222 -15.879 -1.033 1.00 0.00 O ATOM 0 H GLY A 21 3.702 -12.930 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.830 -15.044 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.155 -15.674 -2.757 1.00 0.00 H new ATOM 296 N ILE A 22 2.185 -13.623 -1.184 1.00 0.00 N ATOM 297 CA ILE A 22 1.340 -13.449 -0.014 1.00 0.00 C ATOM 298 C ILE A 22 -0.123 -13.652 -0.413 1.00 0.00 C ATOM 299 O ILE A 22 -0.452 -13.663 -1.598 1.00 0.00 O ATOM 300 CB ILE A 22 1.616 -12.098 0.650 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.040 -12.039 1.203 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.570 -11.791 1.723 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.536 -10.594 1.290 1.00 0.00 C ATOM 0 H ILE A 22 2.459 -12.756 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 22 1.572 -14.201 0.740 1.00 0.00 H new ATOM 0 HB ILE A 22 1.535 -11.321 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.069 -12.497 2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.706 -12.618 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.789 -10.826 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.420 -11.761 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.594 -12.567 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.551 -10.581 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.529 -10.146 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.882 -10.024 1.949 1.00 0.00 H new ATOM 314 N GLU A 23 -0.962 -13.807 0.601 1.00 0.00 N ATOM 315 CA GLU A 23 -2.384 -14.009 0.370 1.00 0.00 C ATOM 316 C GLU A 23 -3.021 -12.727 -0.171 1.00 0.00 C ATOM 317 O GLU A 23 -2.531 -11.628 0.087 1.00 0.00 O ATOM 318 CB GLU A 23 -3.086 -14.472 1.649 1.00 0.00 C ATOM 319 CG GLU A 23 -3.517 -15.936 1.538 1.00 0.00 C ATOM 320 CD GLU A 23 -4.861 -16.165 2.231 1.00 0.00 C ATOM 321 OE1 GLU A 23 -4.899 -16.398 3.449 1.00 0.00 O ATOM 322 OE2 GLU A 23 -5.892 -16.093 1.460 1.00 0.00 O ATOM 0 H GLU A 23 -0.686 -13.797 1.583 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.504 -14.794 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.416 -14.350 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.958 -13.846 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.592 -16.218 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.758 -16.577 1.987 1.00 0.00 H new ATOM 328 N PRO A 24 -4.132 -12.914 -0.932 1.00 0.00 N ATOM 329 CA PRO A 24 -4.841 -11.787 -1.513 1.00 0.00 C ATOM 330 C PRO A 24 -5.653 -11.044 -0.449 1.00 0.00 C ATOM 331 O PRO A 24 -5.566 -9.822 -0.339 1.00 0.00 O ATOM 332 CB PRO A 24 -5.706 -12.389 -2.608 1.00 0.00 C ATOM 333 CG PRO A 24 -5.803 -13.872 -2.296 1.00 0.00 C ATOM 334 CD PRO A 24 -4.740 -14.201 -1.260 1.00 0.00 C ATOM 0 HA PRO A 24 -4.170 -11.033 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.694 -11.928 -2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.263 -12.225 -3.590 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.795 -14.118 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.651 -14.463 -3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.178 -14.669 -0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.002 -14.898 -1.657 1.00 0.00 H new ATOM 339 N SER A 25 -6.423 -11.813 0.305 1.00 0.00 N ATOM 340 CA SER A 25 -7.250 -11.243 1.355 1.00 0.00 C ATOM 341 C SER A 25 -6.367 -10.696 2.478 1.00 0.00 C ATOM 342 O SER A 25 -6.796 -9.839 3.250 1.00 0.00 O ATOM 343 CB SER A 25 -8.229 -12.280 1.909 1.00 0.00 C ATOM 344 OG SER A 25 -9.573 -11.802 1.902 1.00 0.00 O ATOM 0 H SER A 25 -6.492 -12.826 0.210 1.00 0.00 H new ATOM 0 HA SER A 25 -7.831 -10.426 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.165 -13.192 1.316 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.942 -12.542 2.928 1.00 0.00 H new ATOM 0 HG SER A 25 -10.168 -12.493 2.261 1.00 0.00 H new ATOM 349 N GLU A 26 -5.148 -11.212 2.534 1.00 0.00 N ATOM 350 CA GLU A 26 -4.200 -10.786 3.548 1.00 0.00 C ATOM 351 C GLU A 26 -3.887 -9.297 3.391 1.00 0.00 C ATOM 352 O GLU A 26 -3.869 -8.555 4.371 1.00 0.00 O ATOM 353 CB GLU A 26 -2.921 -11.624 3.492 1.00 0.00 C ATOM 354 CG GLU A 26 -2.192 -11.605 4.837 1.00 0.00 C ATOM 355 CD GLU A 26 -0.924 -12.459 4.786 1.00 0.00 C ATOM 356 OE1 GLU A 26 0.189 -11.922 4.894 1.00 0.00 O ATOM 357 OE2 GLU A 26 -1.124 -13.723 4.626 1.00 0.00 O ATOM 0 H GLU A 26 -4.795 -11.922 1.892 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.653 -10.941 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.167 -12.651 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.264 -11.238 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.933 -10.579 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.854 -11.977 5.619 1.00 0.00 H new ATOM 363 N ILE A 27 -3.648 -8.904 2.148 1.00 0.00 N ATOM 364 CA ILE A 27 -3.336 -7.516 1.848 1.00 0.00 C ATOM 365 C ILE A 27 -4.529 -6.637 2.229 1.00 0.00 C ATOM 366 O ILE A 27 -5.669 -6.951 1.890 1.00 0.00 O ATOM 367 CB ILE A 27 -2.902 -7.367 0.389 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.432 -7.749 0.212 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.197 -5.957 -0.129 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.046 -8.898 1.146 1.00 0.00 C ATOM 0 H ILE A 27 -3.664 -9.522 1.337 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.488 -7.178 2.443 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.488 -8.060 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.251 -8.040 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.801 -6.884 0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.879 -5.877 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.267 -5.761 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.655 -5.227 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.004 -9.149 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.205 -8.595 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.662 -9.770 0.924 1.00 0.00 H new ATOM 381 N THR A 28 -4.225 -5.553 2.929 1.00 0.00 N ATOM 382 CA THR A 28 -5.257 -4.627 3.360 1.00 0.00 C ATOM 383 C THR A 28 -4.733 -3.190 3.324 1.00 0.00 C ATOM 384 O THR A 28 -3.526 -2.968 3.242 1.00 0.00 O ATOM 385 CB THR A 28 -5.738 -5.064 4.745 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.560 -5.547 5.385 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.658 -6.286 4.687 1.00 0.00 C ATOM 0 H THR A 28 -3.278 -5.296 3.208 1.00 0.00 H new ATOM 0 HA THR A 28 -6.111 -4.645 2.684 1.00 0.00 H new ATOM 0 HB THR A 28 -6.262 -4.237 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.780 -5.850 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.971 -6.554 5.696 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.536 -6.052 4.085 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.123 -7.123 4.238 1.00 0.00 H new ATOM 395 N PRO A 29 -5.691 -2.226 3.390 1.00 0.00 N ATOM 396 CA PRO A 29 -5.339 -0.818 3.366 1.00 0.00 C ATOM 397 C PRO A 29 -4.753 -0.376 4.709 1.00 0.00 C ATOM 398 O PRO A 29 -5.087 0.695 5.213 1.00 0.00 O ATOM 399 CB PRO A 29 -6.629 -0.095 3.013 1.00 0.00 C ATOM 400 CG PRO A 29 -7.750 -1.077 3.308 1.00 0.00 C ATOM 401 CD PRO A 29 -7.131 -2.453 3.488 1.00 0.00 C ATOM 0 HA PRO A 29 -4.560 -0.592 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.741 0.815 3.603 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.636 0.202 1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.290 -0.781 4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.472 -1.088 2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.399 -2.885 4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.476 -3.146 2.721 1.00 0.00 H new ATOM 406 N GLU A 30 -3.892 -1.224 5.250 1.00 0.00 N ATOM 407 CA GLU A 30 -3.257 -0.934 6.524 1.00 0.00 C ATOM 408 C GLU A 30 -1.795 -1.386 6.505 1.00 0.00 C ATOM 409 O GLU A 30 -1.129 -1.389 7.539 1.00 0.00 O ATOM 410 CB GLU A 30 -4.019 -1.592 7.678 1.00 0.00 C ATOM 411 CG GLU A 30 -4.198 -3.091 7.431 1.00 0.00 C ATOM 412 CD GLU A 30 -3.485 -3.912 8.507 1.00 0.00 C ATOM 413 OE1 GLU A 30 -2.486 -3.450 9.080 1.00 0.00 O ATOM 414 OE2 GLU A 30 -4.002 -5.071 8.742 1.00 0.00 O ATOM 0 H GLU A 30 -3.619 -2.112 4.830 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.281 0.144 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.479 -1.435 8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.995 -1.119 7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.260 -3.338 7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.804 -3.351 6.449 1.00 0.00 H new ATOM 420 N LYS A 31 -1.339 -1.755 5.317 1.00 0.00 N ATOM 421 CA LYS A 31 0.031 -2.207 5.148 1.00 0.00 C ATOM 422 C LYS A 31 0.978 -1.014 5.291 1.00 0.00 C ATOM 423 O LYS A 31 0.543 0.136 5.257 1.00 0.00 O ATOM 424 CB LYS A 31 0.188 -2.963 3.828 1.00 0.00 C ATOM 425 CG LYS A 31 -0.717 -4.196 3.790 1.00 0.00 C ATOM 426 CD LYS A 31 0.107 -5.476 3.638 1.00 0.00 C ATOM 427 CE LYS A 31 -0.292 -6.513 4.690 1.00 0.00 C ATOM 428 NZ LYS A 31 0.608 -7.687 4.628 1.00 0.00 N ATOM 0 H LYS A 31 -1.895 -1.750 4.462 1.00 0.00 H new ATOM 0 HA LYS A 31 0.296 -2.920 5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.056 -2.303 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.227 -3.266 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.308 -4.246 4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.419 -4.111 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.039 -5.890 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.168 -5.244 3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.249 -6.067 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.322 -6.828 4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.378 -8.342 5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.485 -8.171 3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.595 -7.373 4.722 1.00 0.00 H new ATOM 437 N SER A 32 2.256 -1.329 5.448 1.00 0.00 N ATOM 438 CA SER A 32 3.269 -0.297 5.595 1.00 0.00 C ATOM 439 C SER A 32 4.375 -0.498 4.559 1.00 0.00 C ATOM 440 O SER A 32 5.443 0.105 4.660 1.00 0.00 O ATOM 441 CB SER A 32 3.856 -0.300 7.008 1.00 0.00 C ATOM 442 OG SER A 32 4.039 1.019 7.512 1.00 0.00 O ATOM 0 H SER A 32 2.613 -2.284 5.477 1.00 0.00 H new ATOM 0 HA SER A 32 2.798 0.672 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.195 -0.854 7.674 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.813 -0.822 7.002 1.00 0.00 H new ATOM 0 HG SER A 32 4.414 0.975 8.416 1.00 0.00 H new ATOM 447 N PHE A 33 4.084 -1.349 3.585 1.00 0.00 N ATOM 448 CA PHE A 33 5.041 -1.637 2.532 1.00 0.00 C ATOM 449 C PHE A 33 6.098 -2.635 3.009 1.00 0.00 C ATOM 450 O PHE A 33 6.579 -3.455 2.229 1.00 0.00 O ATOM 451 CB PHE A 33 5.728 -0.316 2.178 1.00 0.00 C ATOM 452 CG PHE A 33 5.977 -0.127 0.681 1.00 0.00 C ATOM 453 CD1 PHE A 33 4.935 0.124 -0.157 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.242 -0.209 0.185 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.166 0.300 -1.546 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.473 -0.032 -1.204 1.00 0.00 C ATOM 457 CZ PHE A 33 6.430 0.218 -2.040 1.00 0.00 C ATOM 0 H PHE A 33 3.198 -1.848 3.504 1.00 0.00 H new ATOM 0 HA PHE A 33 4.529 -2.073 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.115 0.509 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.681 -0.261 2.704 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.931 0.189 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.070 -0.409 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.338 0.499 -2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.477 -0.096 -1.597 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.606 0.352 -3.097 1.00 0.00 H new ATOM 466 N VAL A 34 6.428 -2.532 4.288 1.00 0.00 N ATOM 467 CA VAL A 34 7.419 -3.417 4.879 1.00 0.00 C ATOM 468 C VAL A 34 6.940 -3.859 6.264 1.00 0.00 C ATOM 469 O VAL A 34 6.805 -5.054 6.525 1.00 0.00 O ATOM 470 CB VAL A 34 8.784 -2.726 4.911 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.428 -2.849 6.293 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.705 -3.284 3.824 1.00 0.00 C ATOM 0 H VAL A 34 6.027 -1.850 4.932 1.00 0.00 H new ATOM 0 HA VAL A 34 7.538 -4.316 4.274 1.00 0.00 H new ATOM 0 HB VAL A 34 8.629 -1.666 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.397 -2.350 6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.783 -2.383 7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.564 -3.902 6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.669 -2.777 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.850 -4.353 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.253 -3.121 2.845 1.00 0.00 H new ATOM 482 N ASP A 35 6.697 -2.873 7.113 1.00 0.00 N ATOM 483 CA ASP A 35 6.236 -3.146 8.464 1.00 0.00 C ATOM 484 C ASP A 35 5.272 -4.333 8.439 1.00 0.00 C ATOM 485 O ASP A 35 5.216 -5.112 9.391 1.00 0.00 O ATOM 486 CB ASP A 35 5.491 -1.943 9.045 1.00 0.00 C ATOM 487 CG ASP A 35 5.502 -1.851 10.572 1.00 0.00 C ATOM 488 OD1 ASP A 35 5.544 -2.873 11.273 1.00 0.00 O ATOM 489 OD2 ASP A 35 5.463 -0.651 11.047 1.00 0.00 O ATOM 0 H ASP A 35 6.810 -1.884 6.893 1.00 0.00 H new ATOM 0 HA ASP A 35 7.108 -3.362 9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.930 -1.032 8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.456 -1.977 8.706 1.00 0.00 H new ATOM 494 N ASP A 36 4.537 -4.435 7.342 1.00 0.00 N ATOM 495 CA ASP A 36 3.577 -5.514 7.182 1.00 0.00 C ATOM 496 C ASP A 36 4.139 -6.548 6.202 1.00 0.00 C ATOM 497 O ASP A 36 4.434 -7.678 6.589 1.00 0.00 O ATOM 498 CB ASP A 36 2.254 -4.996 6.615 1.00 0.00 C ATOM 499 CG ASP A 36 1.042 -5.183 7.529 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.325 -4.220 7.842 1.00 0.00 O ATOM 501 OD2 ASP A 36 0.842 -6.392 7.931 1.00 0.00 O ATOM 0 H ASP A 36 4.587 -3.788 6.555 1.00 0.00 H new ATOM 0 HA ASP A 36 3.400 -5.956 8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.362 -3.934 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.059 -5.502 5.669 1.00 0.00 H new ATOM 506 N LEU A 37 4.270 -6.123 4.954 1.00 0.00 N ATOM 507 CA LEU A 37 4.790 -6.998 3.918 1.00 0.00 C ATOM 508 C LEU A 37 6.001 -7.760 4.459 1.00 0.00 C ATOM 509 O LEU A 37 6.039 -8.988 4.408 1.00 0.00 O ATOM 510 CB LEU A 37 5.084 -6.203 2.644 1.00 0.00 C ATOM 511 CG LEU A 37 3.864 -5.685 1.880 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.287 -4.921 0.624 1.00 0.00 C ATOM 513 CD2 LEU A 37 2.894 -6.824 1.558 1.00 0.00 C ATOM 0 H LEU A 37 4.025 -5.185 4.637 1.00 0.00 H new ATOM 0 HA LEU A 37 4.044 -7.742 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.711 -5.351 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.668 -6.833 1.973 1.00 0.00 H new ATOM 0 HG LEU A 37 3.333 -4.981 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.401 -4.564 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.908 -4.071 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.854 -5.583 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.036 -6.428 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.399 -7.570 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.555 -7.286 2.485 1.00 0.00 H new ATOM 524 N ASP A 38 6.961 -7.000 4.967 1.00 0.00 N ATOM 525 CA ASP A 38 8.169 -7.589 5.517 1.00 0.00 C ATOM 526 C ASP A 38 8.959 -8.266 4.395 1.00 0.00 C ATOM 527 O ASP A 38 9.851 -9.071 4.658 1.00 0.00 O ATOM 528 CB ASP A 38 7.836 -8.649 6.568 1.00 0.00 C ATOM 529 CG ASP A 38 8.748 -8.653 7.796 1.00 0.00 C ATOM 530 OD1 ASP A 38 9.974 -8.508 7.680 1.00 0.00 O ATOM 531 OD2 ASP A 38 8.144 -8.815 8.925 1.00 0.00 O ATOM 0 H ASP A 38 6.926 -5.981 5.009 1.00 0.00 H new ATOM 0 HA ASP A 38 8.751 -6.792 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.808 -8.500 6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.881 -9.631 6.098 1.00 0.00 H new ATOM 536 N ILE A 39 8.601 -7.916 3.169 1.00 0.00 N ATOM 537 CA ILE A 39 9.264 -8.481 2.006 1.00 0.00 C ATOM 538 C ILE A 39 10.330 -7.503 1.507 1.00 0.00 C ATOM 539 O ILE A 39 11.224 -7.884 0.754 1.00 0.00 O ATOM 540 CB ILE A 39 8.238 -8.870 0.939 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.701 -10.100 0.156 1.00 0.00 C ATOM 542 CG2 ILE A 39 7.929 -7.687 0.019 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.085 -9.872 -0.457 1.00 0.00 C ATOM 0 H ILE A 39 7.860 -7.248 2.955 1.00 0.00 H new ATOM 0 HA ILE A 39 9.778 -9.405 2.272 1.00 0.00 H new ATOM 0 HB ILE A 39 7.308 -9.139 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.730 -10.966 0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.983 -10.325 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.197 -7.990 -0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.525 -6.864 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.844 -7.364 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.390 -10.762 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.046 -9.020 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.806 -9.671 0.336 1.00 0.00 H new ATOM 554 N ASP A 40 10.197 -6.259 1.946 1.00 0.00 N ATOM 555 CA ASP A 40 11.137 -5.223 1.553 1.00 0.00 C ATOM 556 C ASP A 40 10.658 -4.571 0.254 1.00 0.00 C ATOM 557 O ASP A 40 9.533 -4.807 -0.185 1.00 0.00 O ATOM 558 CB ASP A 40 12.528 -5.807 1.303 1.00 0.00 C ATOM 559 CG ASP A 40 13.690 -4.848 1.569 1.00 0.00 C ATOM 560 OD1 ASP A 40 14.236 -4.232 0.640 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.038 -4.743 2.806 1.00 0.00 O ATOM 0 H ASP A 40 9.453 -5.946 2.569 1.00 0.00 H new ATOM 0 HA ASP A 40 11.192 -4.494 2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.653 -6.689 1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.584 -6.143 0.268 1.00 0.00 H new ATOM 566 N SER A 41 11.534 -3.764 -0.324 1.00 0.00 N ATOM 567 CA SER A 41 11.215 -3.077 -1.563 1.00 0.00 C ATOM 568 C SER A 41 11.638 -3.931 -2.760 1.00 0.00 C ATOM 569 O SER A 41 11.467 -3.524 -3.908 1.00 0.00 O ATOM 570 CB SER A 41 11.892 -1.705 -1.623 1.00 0.00 C ATOM 571 OG SER A 41 13.275 -1.777 -1.285 1.00 0.00 O ATOM 0 H SER A 41 12.466 -3.570 0.043 1.00 0.00 H new ATOM 0 HA SER A 41 10.137 -2.922 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.785 -1.291 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.387 -1.021 -0.941 1.00 0.00 H new ATOM 0 HG SER A 41 13.671 -0.882 -1.336 1.00 0.00 H new ATOM 576 N LEU A 42 12.185 -5.097 -2.450 1.00 0.00 N ATOM 577 CA LEU A 42 12.634 -6.012 -3.485 1.00 0.00 C ATOM 578 C LEU A 42 11.426 -6.497 -4.291 1.00 0.00 C ATOM 579 O LEU A 42 11.283 -6.161 -5.466 1.00 0.00 O ATOM 580 CB LEU A 42 13.462 -7.146 -2.877 1.00 0.00 C ATOM 581 CG LEU A 42 14.948 -7.160 -3.240 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.753 -6.270 -2.291 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.489 -8.591 -3.281 1.00 0.00 C ATOM 0 H LEU A 42 12.327 -5.429 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 42 13.299 -5.501 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.374 -7.092 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.024 -8.095 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 42 15.059 -6.745 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.806 -6.298 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.387 -5.245 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.640 -6.632 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.547 -8.573 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.364 -9.055 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.942 -9.166 -4.028 1.00 0.00 H new ATOM 594 N SER A 43 10.587 -7.279 -3.627 1.00 0.00 N ATOM 595 CA SER A 43 9.397 -7.814 -4.266 1.00 0.00 C ATOM 596 C SER A 43 8.437 -6.675 -4.617 1.00 0.00 C ATOM 597 O SER A 43 7.950 -6.595 -5.745 1.00 0.00 O ATOM 598 CB SER A 43 8.702 -8.836 -3.367 1.00 0.00 C ATOM 599 OG SER A 43 8.057 -9.859 -4.121 1.00 0.00 O ATOM 0 H SER A 43 10.708 -7.555 -2.653 1.00 0.00 H new ATOM 0 HA SER A 43 9.698 -8.323 -5.182 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.434 -9.287 -2.697 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.967 -8.329 -2.742 1.00 0.00 H new ATOM 0 HG SER A 43 8.190 -10.724 -3.680 1.00 0.00 H new ATOM 604 N MET A 44 8.194 -5.823 -3.633 1.00 0.00 N ATOM 605 CA MET A 44 7.300 -4.694 -3.824 1.00 0.00 C ATOM 606 C MET A 44 7.624 -3.952 -5.123 1.00 0.00 C ATOM 607 O MET A 44 6.722 -3.487 -5.818 1.00 0.00 O ATOM 608 CB MET A 44 7.431 -3.732 -2.642 1.00 0.00 C ATOM 609 CG MET A 44 6.386 -4.039 -1.568 1.00 0.00 C ATOM 610 SD MET A 44 5.105 -2.796 -1.590 1.00 0.00 S ATOM 611 CE MET A 44 4.519 -2.985 -3.266 1.00 0.00 C ATOM 0 H MET A 44 8.601 -5.892 -2.700 1.00 0.00 H new ATOM 0 HA MET A 44 6.279 -5.070 -3.886 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.431 -3.809 -2.215 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.311 -2.706 -2.989 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.952 -5.024 -1.742 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.859 -4.068 -0.586 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.565 -2.469 -3.378 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.246 -2.558 -3.956 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.387 -4.044 -3.488 1.00 0.00 H new ATOM 619 N VAL A 45 8.914 -3.866 -5.412 1.00 0.00 N ATOM 620 CA VAL A 45 9.368 -3.189 -6.614 1.00 0.00 C ATOM 621 C VAL A 45 8.718 -3.840 -7.837 1.00 0.00 C ATOM 622 O VAL A 45 8.393 -3.159 -8.809 1.00 0.00 O ATOM 623 CB VAL A 45 10.896 -3.199 -6.674 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.387 -3.297 -8.120 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.480 -1.966 -5.981 1.00 0.00 C ATOM 0 H VAL A 45 9.659 -4.254 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 45 9.063 -2.143 -6.601 1.00 0.00 H new ATOM 0 HB VAL A 45 11.246 -4.082 -6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.477 -3.302 -8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.014 -4.217 -8.569 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.021 -2.441 -8.687 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.568 -1.998 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.117 -1.065 -6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.172 -1.956 -4.936 1.00 0.00 H new ATOM 635 N GLU A 46 8.546 -5.151 -7.749 1.00 0.00 N ATOM 636 CA GLU A 46 7.940 -5.901 -8.835 1.00 0.00 C ATOM 637 C GLU A 46 6.434 -5.634 -8.889 1.00 0.00 C ATOM 638 O GLU A 46 5.904 -5.258 -9.933 1.00 0.00 O ATOM 639 CB GLU A 46 8.227 -7.397 -8.695 1.00 0.00 C ATOM 640 CG GLU A 46 9.127 -7.891 -9.829 1.00 0.00 C ATOM 641 CD GLU A 46 10.461 -8.406 -9.285 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.566 -8.713 -8.088 1.00 0.00 O ATOM 643 OE2 GLU A 46 11.412 -8.483 -10.154 1.00 0.00 O ATOM 0 H GLU A 46 8.816 -5.713 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 46 8.382 -5.566 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.706 -7.591 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.289 -7.953 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.623 -8.686 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.307 -7.080 -10.535 1.00 0.00 H new ATOM 649 N ILE A 47 5.787 -5.840 -7.751 1.00 0.00 N ATOM 650 CA ILE A 47 4.353 -5.627 -7.657 1.00 0.00 C ATOM 651 C ILE A 47 3.976 -4.370 -8.442 1.00 0.00 C ATOM 652 O ILE A 47 2.984 -4.363 -9.170 1.00 0.00 O ATOM 653 CB ILE A 47 3.913 -5.593 -6.192 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.804 -7.006 -5.618 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.610 -4.806 -6.029 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.597 -7.133 -4.315 1.00 0.00 C ATOM 0 H ILE A 47 6.230 -6.152 -6.887 1.00 0.00 H new ATOM 0 HA ILE A 47 3.813 -6.459 -8.109 1.00 0.00 H new ATOM 0 HB ILE A 47 4.679 -5.071 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.757 -7.248 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.176 -7.727 -6.346 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.319 -4.797 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.758 -3.782 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.824 -5.277 -6.619 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.502 -8.148 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.648 -6.914 -4.506 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.207 -6.428 -3.581 1.00 0.00 H new ATOM 667 N ALA A 48 4.787 -3.336 -8.268 1.00 0.00 N ATOM 668 CA ALA A 48 4.549 -2.076 -8.952 1.00 0.00 C ATOM 669 C ALA A 48 4.933 -2.221 -10.426 1.00 0.00 C ATOM 670 O ALA A 48 4.164 -1.846 -11.310 1.00 0.00 O ATOM 671 CB ALA A 48 5.332 -0.962 -8.254 1.00 0.00 C ATOM 0 H ALA A 48 5.609 -3.345 -7.664 1.00 0.00 H new ATOM 0 HA ALA A 48 3.493 -1.810 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.154 -0.016 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.004 -0.881 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.397 -1.194 -8.280 1.00 0.00 H new ATOM 677 N VAL A 49 6.120 -2.767 -10.646 1.00 0.00 N ATOM 678 CA VAL A 49 6.614 -2.966 -11.998 1.00 0.00 C ATOM 679 C VAL A 49 5.524 -3.630 -12.841 1.00 0.00 C ATOM 680 O VAL A 49 5.482 -3.454 -14.057 1.00 0.00 O ATOM 681 CB VAL A 49 7.916 -3.767 -11.966 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.666 -5.236 -12.315 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.961 -3.153 -12.900 1.00 0.00 C ATOM 0 H VAL A 49 6.754 -3.078 -9.910 1.00 0.00 H new ATOM 0 HA VAL A 49 6.848 -2.009 -12.464 1.00 0.00 H new ATOM 0 HB VAL A 49 8.308 -3.726 -10.950 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.609 -5.783 -12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.973 -5.668 -11.594 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.239 -5.305 -13.315 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.877 -3.742 -12.858 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.579 -3.149 -13.921 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.172 -2.130 -12.587 1.00 0.00 H new ATOM 693 N GLN A 50 4.669 -4.381 -12.162 1.00 0.00 N ATOM 694 CA GLN A 50 3.582 -5.072 -12.834 1.00 0.00 C ATOM 695 C GLN A 50 2.354 -4.165 -12.928 1.00 0.00 C ATOM 696 O GLN A 50 1.866 -3.886 -14.022 1.00 0.00 O ATOM 697 CB GLN A 50 3.242 -6.382 -12.120 1.00 0.00 C ATOM 698 CG GLN A 50 4.453 -7.317 -12.084 1.00 0.00 C ATOM 699 CD GLN A 50 4.047 -8.725 -11.644 1.00 0.00 C ATOM 700 OE1 GLN A 50 4.309 -8.990 -10.368 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 3.528 -9.519 -12.413 1.00 0.00 N flip ATOM 0 H GLN A 50 4.707 -4.526 -11.153 1.00 0.00 H new ATOM 0 HA GLN A 50 3.905 -5.320 -13.845 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.911 -6.171 -11.103 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.413 -6.874 -12.630 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.913 -7.359 -13.071 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.203 -6.920 -11.399 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.354 -9.251 -13.382 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.268 -10.450 -12.087 1.00 0.00 H new ATOM 708 N THR A 51 1.888 -3.730 -11.766 1.00 0.00 N ATOM 709 CA THR A 51 0.727 -2.860 -11.703 1.00 0.00 C ATOM 710 C THR A 51 0.903 -1.667 -12.645 1.00 0.00 C ATOM 711 O THR A 51 -0.048 -1.245 -13.303 1.00 0.00 O ATOM 712 CB THR A 51 0.515 -2.456 -10.244 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.307 -3.491 -9.712 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.337 -1.193 -10.102 1.00 0.00 C ATOM 0 H THR A 51 2.294 -3.965 -10.860 1.00 0.00 H new ATOM 0 HA THR A 51 -0.171 -3.375 -12.045 1.00 0.00 H new ATOM 0 HB THR A 51 1.483 -2.295 -9.769 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.076 -3.812 -8.869 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.456 -0.951 -9.046 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.154 -0.364 -10.611 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.317 -1.363 -10.548 1.00 0.00 H new ATOM 722 N GLU A 52 2.124 -1.156 -12.678 1.00 0.00 N ATOM 723 CA GLU A 52 2.437 -0.019 -13.528 1.00 0.00 C ATOM 724 C GLU A 52 2.550 -0.463 -14.989 1.00 0.00 C ATOM 725 O GLU A 52 2.807 0.353 -15.871 1.00 0.00 O ATOM 726 CB GLU A 52 3.719 0.675 -13.065 1.00 0.00 C ATOM 727 CG GLU A 52 3.459 2.146 -12.738 1.00 0.00 C ATOM 728 CD GLU A 52 4.377 3.061 -13.550 1.00 0.00 C ATOM 729 OE1 GLU A 52 4.952 2.624 -14.558 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.485 4.265 -13.101 1.00 0.00 O ATOM 0 H GLU A 52 2.909 -1.508 -12.130 1.00 0.00 H new ATOM 0 HA GLU A 52 1.624 0.703 -13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.114 0.168 -12.185 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.478 0.601 -13.843 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.418 2.390 -12.949 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.617 2.319 -11.673 1.00 0.00 H new ATOM 736 N ASP A 53 2.354 -1.757 -15.197 1.00 0.00 N ATOM 737 CA ASP A 53 2.431 -2.319 -16.534 1.00 0.00 C ATOM 738 C ASP A 53 1.067 -2.895 -16.920 1.00 0.00 C ATOM 739 O ASP A 53 0.432 -2.420 -17.860 1.00 0.00 O ATOM 740 CB ASP A 53 3.458 -3.452 -16.597 1.00 0.00 C ATOM 741 CG ASP A 53 4.484 -3.333 -17.725 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.593 -2.814 -17.528 1.00 0.00 O ATOM 743 OD2 ASP A 53 4.102 -3.805 -18.863 1.00 0.00 O ATOM 0 H ASP A 53 2.142 -2.432 -14.462 1.00 0.00 H new ATOM 0 HA ASP A 53 2.729 -1.524 -17.217 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.989 -3.494 -15.646 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.927 -4.398 -16.707 1.00 0.00 H new ATOM 748 N LYS A 54 0.657 -3.911 -16.175 1.00 0.00 N ATOM 749 CA LYS A 54 -0.620 -4.556 -16.428 1.00 0.00 C ATOM 750 C LYS A 54 -1.716 -3.493 -16.515 1.00 0.00 C ATOM 751 O LYS A 54 -2.581 -3.558 -17.387 1.00 0.00 O ATOM 752 CB LYS A 54 -0.893 -5.634 -15.376 1.00 0.00 C ATOM 753 CG LYS A 54 -0.444 -7.010 -15.873 1.00 0.00 C ATOM 754 CD LYS A 54 -0.323 -7.999 -14.712 1.00 0.00 C ATOM 755 CE LYS A 54 -1.296 -9.167 -14.882 1.00 0.00 C ATOM 756 NZ LYS A 54 -1.322 -10.003 -13.660 1.00 0.00 N ATOM 0 H LYS A 54 1.186 -4.303 -15.396 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.601 -5.074 -17.387 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.368 -5.388 -14.453 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.957 -5.657 -15.141 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.159 -7.388 -16.604 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.516 -6.922 -16.382 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.698 -8.377 -14.657 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.525 -7.487 -13.771 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.296 -8.787 -15.091 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.000 -9.773 -15.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.987 -10.791 -13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.370 -10.380 -13.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.627 -9.425 -12.851 1.00 0.00 H new ATOM 765 N TYR A 55 -1.644 -2.537 -15.600 1.00 0.00 N ATOM 766 CA TYR A 55 -2.619 -1.461 -15.564 1.00 0.00 C ATOM 767 C TYR A 55 -2.059 -0.192 -16.208 1.00 0.00 C ATOM 768 O TYR A 55 -2.717 0.427 -17.044 1.00 0.00 O ATOM 769 CB TYR A 55 -2.892 -1.190 -14.083 1.00 0.00 C ATOM 770 CG TYR A 55 -4.309 -1.552 -13.634 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.393 -0.877 -14.158 1.00 0.00 C ATOM 772 CD2 TYR A 55 -4.504 -2.556 -12.706 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.727 -1.219 -13.735 1.00 0.00 C ATOM 774 CE2 TYR A 55 -5.837 -2.897 -12.285 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.883 -2.212 -12.819 1.00 0.00 C ATOM 776 OH TYR A 55 -8.142 -2.535 -12.422 1.00 0.00 O ATOM 0 H TYR A 55 -0.925 -2.486 -14.878 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.519 -1.740 -16.111 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.177 -1.754 -13.483 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.716 -0.134 -13.879 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.241 -0.093 -14.885 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.656 -3.085 -12.296 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.584 -0.698 -14.136 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.003 -3.680 -11.560 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.128 -3.400 -11.962 1.00 0.00 H new ATOM 785 N GLY A 56 -0.850 0.160 -15.796 1.00 0.00 N ATOM 786 CA GLY A 56 -0.194 1.344 -16.321 1.00 0.00 C ATOM 787 C GLY A 56 -0.318 2.518 -15.349 1.00 0.00 C ATOM 788 O GLY A 56 -0.340 3.675 -15.766 1.00 0.00 O ATOM 0 H GLY A 56 -0.307 -0.356 -15.103 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.859 1.129 -16.504 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.636 1.614 -17.280 1.00 0.00 H new ATOM 792 N VAL A 57 -0.397 2.179 -14.070 1.00 0.00 N ATOM 793 CA VAL A 57 -0.519 3.191 -13.034 1.00 0.00 C ATOM 794 C VAL A 57 0.687 4.130 -13.100 1.00 0.00 C ATOM 795 O VAL A 57 1.488 4.054 -14.030 1.00 0.00 O ATOM 796 CB VAL A 57 -0.683 2.524 -11.667 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.660 1.349 -11.744 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.670 2.076 -11.110 1.00 0.00 C ATOM 0 H VAL A 57 -0.379 1.218 -13.728 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.411 3.796 -13.194 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.100 3.262 -10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.758 0.893 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.634 1.707 -12.077 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.284 0.609 -12.451 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.525 1.605 -10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.127 1.362 -11.795 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.323 2.942 -11.000 1.00 0.00 H new ATOM 808 N LYS A 58 0.779 4.995 -12.100 1.00 0.00 N ATOM 809 CA LYS A 58 1.874 5.948 -12.033 1.00 0.00 C ATOM 810 C LYS A 58 2.511 5.888 -10.643 1.00 0.00 C ATOM 811 O LYS A 58 1.990 6.469 -9.692 1.00 0.00 O ATOM 812 CB LYS A 58 1.394 7.345 -12.430 1.00 0.00 C ATOM 813 CG LYS A 58 2.444 8.403 -12.089 1.00 0.00 C ATOM 814 CD LYS A 58 1.785 9.682 -11.568 1.00 0.00 C ATOM 815 CE LYS A 58 1.060 9.426 -10.246 1.00 0.00 C ATOM 816 NZ LYS A 58 -0.376 9.157 -10.485 1.00 0.00 N ATOM 0 H LYS A 58 0.113 5.056 -11.330 1.00 0.00 H new ATOM 0 HA LYS A 58 2.651 5.688 -12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.181 7.370 -13.499 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.462 7.573 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.130 8.011 -11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.037 8.630 -12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.542 10.454 -11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.078 10.058 -12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.514 8.578 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.170 10.290 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.942 9.598 -9.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.655 9.553 -11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.541 8.130 -10.486 1.00 0.00 H new ATOM 825 N ILE A 59 3.630 5.182 -10.569 1.00 0.00 N ATOM 826 CA ILE A 59 4.344 5.039 -9.312 1.00 0.00 C ATOM 827 C ILE A 59 5.812 4.720 -9.597 1.00 0.00 C ATOM 828 O ILE A 59 6.233 3.569 -9.493 1.00 0.00 O ATOM 829 CB ILE A 59 3.653 4.007 -8.418 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.210 4.419 -8.118 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.456 3.765 -7.138 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.585 3.502 -7.065 1.00 0.00 C ATOM 0 H ILE A 59 4.060 4.703 -11.360 1.00 0.00 H new ATOM 0 HA ILE A 59 4.324 5.975 -8.754 1.00 0.00 H new ATOM 0 HB ILE A 59 3.613 3.061 -8.958 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.188 5.450 -7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.620 4.382 -9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.943 3.028 -6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.448 3.395 -7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.549 4.700 -6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.560 3.817 -6.871 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.586 2.475 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.163 3.560 -6.143 1.00 0.00 H new ATOM 843 N PRO A 60 6.572 5.788 -9.961 1.00 0.00 N ATOM 844 CA PRO A 60 7.985 5.633 -10.262 1.00 0.00 C ATOM 845 C PRO A 60 8.801 5.445 -8.982 1.00 0.00 C ATOM 846 O PRO A 60 8.295 5.658 -7.881 1.00 0.00 O ATOM 847 CB PRO A 60 8.364 6.890 -11.028 1.00 0.00 C ATOM 848 CG PRO A 60 7.276 7.907 -10.725 1.00 0.00 C ATOM 849 CD PRO A 60 6.108 7.166 -10.094 1.00 0.00 C ATOM 0 HA PRO A 60 8.193 4.743 -10.855 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.341 7.258 -10.715 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.426 6.692 -12.098 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.650 8.676 -10.049 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.960 8.411 -11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.846 7.591 -9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.217 7.225 -10.719 1.00 0.00 H new ATOM 854 N ASP A 61 10.051 5.045 -9.168 1.00 0.00 N ATOM 855 CA ASP A 61 10.942 4.824 -8.042 1.00 0.00 C ATOM 856 C ASP A 61 11.079 6.123 -7.243 1.00 0.00 C ATOM 857 O ASP A 61 11.086 6.103 -6.014 1.00 0.00 O ATOM 858 CB ASP A 61 12.337 4.412 -8.516 1.00 0.00 C ATOM 859 CG ASP A 61 12.667 2.928 -8.337 1.00 0.00 C ATOM 860 OD1 ASP A 61 13.021 2.232 -9.301 1.00 0.00 O ATOM 861 OD2 ASP A 61 12.548 2.484 -7.132 1.00 0.00 O ATOM 0 H ASP A 61 10.467 4.868 -10.082 1.00 0.00 H new ATOM 0 HA ASP A 61 10.520 4.028 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.436 4.666 -9.571 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.077 5.002 -7.975 1.00 0.00 H new ATOM 866 N GLU A 62 11.184 7.222 -7.976 1.00 0.00 N ATOM 867 CA GLU A 62 11.320 8.527 -7.352 1.00 0.00 C ATOM 868 C GLU A 62 10.180 8.763 -6.360 1.00 0.00 C ATOM 869 O GLU A 62 10.277 9.628 -5.492 1.00 0.00 O ATOM 870 CB GLU A 62 11.368 9.637 -8.406 1.00 0.00 C ATOM 871 CG GLU A 62 12.721 9.655 -9.121 1.00 0.00 C ATOM 872 CD GLU A 62 13.214 11.089 -9.324 1.00 0.00 C ATOM 873 OE1 GLU A 62 12.743 11.782 -10.237 1.00 0.00 O ATOM 874 OE2 GLU A 62 14.118 11.478 -8.491 1.00 0.00 O ATOM 0 H GLU A 62 11.178 7.235 -8.996 1.00 0.00 H new ATOM 0 HA GLU A 62 12.262 8.549 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.570 9.488 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.190 10.602 -7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.452 9.094 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.633 9.157 -10.086 1.00 0.00 H new ATOM 880 N ASP A 63 9.126 7.977 -6.522 1.00 0.00 N ATOM 881 CA ASP A 63 7.967 8.090 -5.650 1.00 0.00 C ATOM 882 C ASP A 63 7.859 6.829 -4.789 1.00 0.00 C ATOM 883 O ASP A 63 7.423 6.894 -3.641 1.00 0.00 O ATOM 884 CB ASP A 63 6.678 8.220 -6.463 1.00 0.00 C ATOM 885 CG ASP A 63 5.993 9.586 -6.374 1.00 0.00 C ATOM 886 OD1 ASP A 63 6.436 10.475 -5.633 1.00 0.00 O ATOM 887 OD2 ASP A 63 4.947 9.719 -7.118 1.00 0.00 O ATOM 0 H ASP A 63 9.049 7.260 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 63 8.094 8.978 -5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.903 8.010 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.976 7.456 -6.128 1.00 0.00 H new ATOM 892 N LEU A 64 8.262 5.712 -5.377 1.00 0.00 N ATOM 893 CA LEU A 64 8.215 4.440 -4.679 1.00 0.00 C ATOM 894 C LEU A 64 8.969 4.563 -3.353 1.00 0.00 C ATOM 895 O LEU A 64 8.763 3.764 -2.441 1.00 0.00 O ATOM 896 CB LEU A 64 8.733 3.315 -5.578 1.00 0.00 C ATOM 897 CG LEU A 64 8.225 1.909 -5.253 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.793 1.414 -3.921 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.696 1.860 -5.278 1.00 0.00 C ATOM 0 H LEU A 64 8.623 5.662 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 64 7.185 4.176 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.465 3.548 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.822 3.307 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 64 8.582 1.229 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.416 0.412 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.881 1.388 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.487 2.089 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.360 0.850 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.298 2.555 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.339 2.140 -6.269 1.00 0.00 H new ATOM 910 N ALA A 65 9.825 5.571 -3.287 1.00 0.00 N ATOM 911 CA ALA A 65 10.610 5.810 -2.088 1.00 0.00 C ATOM 912 C ALA A 65 9.733 6.498 -1.038 1.00 0.00 C ATOM 913 O ALA A 65 9.944 6.326 0.161 1.00 0.00 O ATOM 914 CB ALA A 65 11.849 6.634 -2.443 1.00 0.00 C ATOM 0 H ALA A 65 9.993 6.233 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 65 10.957 4.868 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.437 6.813 -1.543 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.453 6.089 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.541 7.588 -2.871 1.00 0.00 H new ATOM 920 N GLY A 66 8.770 7.263 -1.529 1.00 0.00 N ATOM 921 CA GLY A 66 7.861 7.978 -0.649 1.00 0.00 C ATOM 922 C GLY A 66 6.770 7.047 -0.114 1.00 0.00 C ATOM 923 O GLY A 66 6.531 6.994 1.092 1.00 0.00 O ATOM 0 H GLY A 66 8.599 7.404 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.418 8.408 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.404 8.807 -1.189 1.00 0.00 H new ATOM 927 N LEU A 67 6.139 6.336 -1.037 1.00 0.00 N ATOM 928 CA LEU A 67 5.079 5.411 -0.673 1.00 0.00 C ATOM 929 C LEU A 67 5.454 4.698 0.628 1.00 0.00 C ATOM 930 O LEU A 67 6.535 4.121 0.733 1.00 0.00 O ATOM 931 CB LEU A 67 4.779 4.458 -1.832 1.00 0.00 C ATOM 932 CG LEU A 67 4.427 5.116 -3.168 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.690 4.137 -4.084 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.634 6.406 -2.950 1.00 0.00 C ATOM 0 H LEU A 67 6.341 6.382 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 67 4.151 5.950 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.647 3.817 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.952 3.811 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 67 5.355 5.389 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.452 4.630 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.324 3.272 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.768 3.811 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.396 6.854 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.710 6.180 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.230 7.104 -2.362 1.00 0.00 H new ATOM 945 N ARG A 68 4.541 4.763 1.586 1.00 0.00 N ATOM 946 CA ARG A 68 4.763 4.131 2.875 1.00 0.00 C ATOM 947 C ARG A 68 3.688 3.075 3.141 1.00 0.00 C ATOM 948 O ARG A 68 3.986 1.995 3.650 1.00 0.00 O ATOM 949 CB ARG A 68 4.744 5.163 4.004 1.00 0.00 C ATOM 950 CG ARG A 68 6.123 5.291 4.654 1.00 0.00 C ATOM 951 CD ARG A 68 6.000 5.509 6.163 1.00 0.00 C ATOM 952 NE ARG A 68 7.321 5.335 6.808 1.00 0.00 N ATOM 953 CZ ARG A 68 7.616 5.758 8.057 1.00 0.00 C ATOM 954 NH1 ARG A 68 6.682 6.382 8.806 1.00 0.00 N ATOM 955 NH2 ARG A 68 8.829 5.550 8.533 1.00 0.00 N ATOM 0 H ARG A 68 3.646 5.244 1.495 1.00 0.00 H new ATOM 0 HA ARG A 68 5.744 3.657 2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.432 6.131 3.611 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.010 4.872 4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.706 4.391 4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.664 6.124 4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.617 6.509 6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.285 4.803 6.584 1.00 0.00 H new ATOM 0 HE ARG A 68 8.055 4.866 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.747 6.537 8.430 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.912 6.699 9.748 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.527 5.076 7.960 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.068 5.863 9.474 1.00 0.00 H new ATOM 964 N THR A 69 2.461 3.422 2.782 1.00 0.00 N ATOM 965 CA THR A 69 1.341 2.517 2.975 1.00 0.00 C ATOM 966 C THR A 69 0.461 2.483 1.724 1.00 0.00 C ATOM 967 O THR A 69 0.652 3.278 0.804 1.00 0.00 O ATOM 968 CB THR A 69 0.589 2.956 4.234 1.00 0.00 C ATOM 969 OG1 THR A 69 0.302 4.333 4.003 1.00 0.00 O ATOM 970 CG2 THR A 69 1.483 2.964 5.476 1.00 0.00 C ATOM 0 H THR A 69 2.218 4.317 2.359 1.00 0.00 H new ATOM 0 HA THR A 69 1.682 1.492 3.123 1.00 0.00 H new ATOM 0 HB THR A 69 -0.259 2.292 4.402 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.187 4.698 4.770 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.901 3.283 6.341 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.873 1.961 5.650 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.313 3.654 5.323 1.00 0.00 H new ATOM 978 N VAL A 70 -0.484 1.554 1.729 1.00 0.00 N ATOM 979 CA VAL A 70 -1.394 1.405 0.605 1.00 0.00 C ATOM 980 C VAL A 70 -2.074 2.747 0.324 1.00 0.00 C ATOM 981 O VAL A 70 -2.237 3.135 -0.831 1.00 0.00 O ATOM 982 CB VAL A 70 -2.388 0.278 0.883 1.00 0.00 C ATOM 983 CG1 VAL A 70 -3.146 -0.111 -0.389 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.685 -0.936 1.495 1.00 0.00 C ATOM 0 H VAL A 70 -0.639 0.897 2.493 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.847 1.123 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.115 0.644 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.847 -0.915 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.694 0.753 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.438 -0.449 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.415 -1.723 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.926 -1.303 0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.213 -0.648 2.434 1.00 0.00 H new ATOM 994 N GLY A 71 -2.452 3.419 1.402 1.00 0.00 N ATOM 995 CA GLY A 71 -3.111 4.709 1.286 1.00 0.00 C ATOM 996 C GLY A 71 -2.220 5.716 0.557 1.00 0.00 C ATOM 997 O GLY A 71 -2.717 6.652 -0.068 1.00 0.00 O ATOM 0 H GLY A 71 -2.315 3.095 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.052 4.594 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.356 5.087 2.279 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.919 5.490 0.661 1.00 0.00 N ATOM 1002 CA ASP A 72 0.046 6.367 0.019 1.00 0.00 C ATOM 1003 C ASP A 72 0.343 5.847 -1.389 1.00 0.00 C ATOM 1004 O ASP A 72 0.601 6.631 -2.302 1.00 0.00 O ATOM 1005 CB ASP A 72 1.362 6.401 0.798 1.00 0.00 C ATOM 1006 CG ASP A 72 2.089 7.746 0.782 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.536 8.766 0.344 1.00 0.00 O ATOM 1008 OD2 ASP A 72 3.291 7.724 1.252 1.00 0.00 O ATOM 0 H ASP A 72 -0.510 4.713 1.180 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.379 7.370 -0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.161 6.126 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.028 5.640 0.390 1.00 0.00 H new ATOM 1013 N VAL A 73 0.298 4.530 -1.521 1.00 0.00 N ATOM 1014 CA VAL A 73 0.558 3.897 -2.803 1.00 0.00 C ATOM 1015 C VAL A 73 -0.675 4.041 -3.697 1.00 0.00 C ATOM 1016 O VAL A 73 -0.601 3.806 -4.903 1.00 0.00 O ATOM 1017 CB VAL A 73 0.977 2.441 -2.591 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.435 1.805 -3.906 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.066 2.334 -1.522 1.00 0.00 C ATOM 0 H VAL A 73 0.085 3.883 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 73 1.387 4.389 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 73 0.106 1.890 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.727 0.770 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.618 1.832 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.286 2.359 -4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.346 1.289 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.939 2.907 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.690 2.730 -0.579 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.779 4.424 -3.074 1.00 0.00 N ATOM 1030 CA VAL A 74 -3.025 4.602 -3.798 1.00 0.00 C ATOM 1031 C VAL A 74 -3.221 6.087 -4.112 1.00 0.00 C ATOM 1032 O VAL A 74 -3.376 6.464 -5.272 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.184 4.002 -3.000 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.531 4.385 -3.617 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -4.045 2.482 -2.890 1.00 0.00 C ATOM 0 H VAL A 74 -1.836 4.616 -2.074 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.993 4.071 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.147 4.416 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.338 3.946 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.634 5.470 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.582 4.012 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.882 2.081 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.044 2.044 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.110 2.238 -2.386 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.208 6.888 -3.057 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.381 8.324 -3.205 1.00 0.00 C ATOM 1047 C ALA A 75 -2.495 8.824 -4.347 1.00 0.00 C ATOM 1048 O ALA A 75 -2.987 9.423 -5.303 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.069 9.016 -1.877 1.00 0.00 C ATOM 0 H ALA A 75 -3.080 6.571 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.413 8.562 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.199 10.093 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.746 8.647 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.040 8.803 -1.589 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.204 8.562 -4.211 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.245 8.979 -5.220 1.00 0.00 C ATOM 1057 C TYR A 76 -0.788 8.733 -6.629 1.00 0.00 C ATOM 1058 O TYR A 76 -0.460 9.464 -7.561 1.00 0.00 O ATOM 1059 CB TYR A 76 0.996 8.111 -5.006 1.00 0.00 C ATOM 1060 CG TYR A 76 2.054 8.749 -4.103 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.693 9.264 -2.874 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.369 8.812 -4.518 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.689 9.865 -2.025 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.364 9.412 -3.669 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.975 9.909 -2.464 1.00 0.00 C ATOM 1066 OH TYR A 76 4.915 10.477 -1.661 1.00 0.00 O ATOM 0 H TYR A 76 -0.799 8.066 -3.417 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.032 10.044 -5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.690 7.159 -4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.445 7.891 -5.975 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.664 9.216 -2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.651 8.411 -5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.420 10.272 -1.061 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.396 9.466 -3.982 1.00 0.00 H new ATOM 0 HH TYR A 76 5.789 10.438 -2.102 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.611 7.700 -6.739 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.203 7.347 -8.018 1.00 0.00 C ATOM 1077 C ILE A 77 -3.454 8.198 -8.247 1.00 0.00 C ATOM 1078 O ILE A 77 -3.435 9.134 -9.045 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.461 5.842 -8.092 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.347 5.059 -7.395 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.659 5.390 -9.540 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.530 3.552 -7.590 1.00 0.00 C ATOM 0 H ILE A 77 -1.882 7.096 -5.963 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.513 7.568 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.387 5.628 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.379 5.366 -7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.344 5.294 -6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.841 4.316 -9.564 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.513 5.912 -9.971 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.764 5.620 -10.118 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.725 3.019 -7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.488 3.244 -7.170 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.508 3.318 -8.654 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.512 7.841 -7.534 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.769 8.560 -7.649 1.00 0.00 C ATOM 1095 C GLN A 78 -5.529 10.068 -7.561 1.00 0.00 C ATOM 1096 O GLN A 78 -5.898 10.814 -8.467 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.764 8.100 -6.583 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.134 6.628 -6.775 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.566 5.993 -5.453 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -7.629 4.665 -5.485 1.00 0.00 O flip ATOM 1101 NE2 GLN A 78 -7.825 6.664 -4.467 1.00 0.00 N flip ATOM 0 H GLN A 78 -4.524 7.063 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.203 8.338 -8.624 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.333 8.244 -5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.663 8.714 -6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.941 6.544 -7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.281 6.085 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.757 7.681 -4.510 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.110 6.208 -3.600 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.911 10.473 -6.461 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.617 11.879 -6.241 1.00 0.00 C ATOM 1110 C LYS A 79 -4.181 12.517 -7.563 1.00 0.00 C ATOM 1111 O LYS A 79 -4.751 13.520 -7.989 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.597 12.044 -5.114 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.137 11.480 -3.799 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.417 12.205 -3.376 1.00 0.00 C ATOM 1115 CE LYS A 79 -5.608 12.142 -1.859 1.00 0.00 C ATOM 1116 NZ LYS A 79 -6.118 10.813 -1.456 1.00 0.00 N ATOM 0 H LYS A 79 -4.606 9.852 -5.712 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.511 12.407 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.671 11.534 -5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.355 13.099 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.338 10.415 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.383 11.581 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.373 13.246 -3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.276 11.754 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.660 12.342 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.305 12.917 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.051 10.714 -0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.112 10.719 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.551 10.070 -1.913 1.00 0.00 H new