USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 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 USER MOD Single : A 5 GLN :FLIP amide:sc= -1.28 F(o=-2.7,f=-1.3) USER MOD Single : A 20 THR OG1 : rot -8:sc= -2.42 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -0.595 (180deg=-1.27) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 147:sc= -7.35! USER MOD Single : A 44 MET CE :methyl -122:sc= -2.64! (180deg=-7.35!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.52 F(o=-1.5,f=-0.52) USER MOD Single : A 51 THR OG1 : rot 140:sc= -0.295 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+ 162:sc=-0.000584 (180deg=-0.148) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= -1.23 USER MOD Single : A 78 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.96) USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= -0.0695 (180deg=-0.486) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 4 -9.262 2.007 -8.784 1.00 0.00 N ATOM 44 CA THR A 4 -10.088 2.141 -7.596 1.00 0.00 C ATOM 45 C THR A 4 -9.465 1.377 -6.425 1.00 0.00 C ATOM 46 O THR A 4 -8.485 0.654 -6.603 1.00 0.00 O ATOM 47 CB THR A 4 -11.501 1.667 -7.945 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.326 2.792 -7.653 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.005 0.578 -6.996 1.00 0.00 C ATOM 0 HA THR A 4 -10.148 3.180 -7.272 1.00 0.00 H new ATOM 0 HB THR A 4 -11.515 1.291 -8.968 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.260 2.573 -7.852 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.011 0.278 -7.288 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.340 -0.284 -7.046 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.023 0.964 -5.977 1.00 0.00 H new ATOM 57 N GLN A 5 -10.057 1.564 -5.255 1.00 0.00 N ATOM 58 CA GLN A 5 -9.572 0.902 -4.056 1.00 0.00 C ATOM 59 C GLN A 5 -9.376 -0.592 -4.317 1.00 0.00 C ATOM 60 O GLN A 5 -8.245 -1.072 -4.379 1.00 0.00 O ATOM 61 CB GLN A 5 -10.523 1.132 -2.880 1.00 0.00 C ATOM 62 CG GLN A 5 -9.941 0.561 -1.585 1.00 0.00 C ATOM 63 CD GLN A 5 -8.982 1.556 -0.929 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.773 1.589 -1.483 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -9.317 2.249 0.018 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.869 2.165 -5.112 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.607 1.335 -3.791 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.708 2.200 -2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.485 0.663 -3.088 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.749 0.320 -0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.415 -0.370 -1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.262 2.174 0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.652 2.903 0.432 1.00 0.00 H new ATOM 72 N GLU A 6 -10.494 -1.287 -4.464 1.00 0.00 N ATOM 73 CA GLU A 6 -10.459 -2.717 -4.717 1.00 0.00 C ATOM 74 C GLU A 6 -9.492 -3.031 -5.860 1.00 0.00 C ATOM 75 O GLU A 6 -9.028 -4.162 -5.993 1.00 0.00 O ATOM 76 CB GLU A 6 -11.860 -3.255 -5.022 1.00 0.00 C ATOM 77 CG GLU A 6 -12.398 -4.078 -3.849 1.00 0.00 C ATOM 78 CD GLU A 6 -13.891 -3.821 -3.639 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.724 -4.375 -4.370 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.174 -3.015 -2.673 1.00 0.00 O ATOM 0 H GLU A 6 -11.430 -0.886 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.101 -3.216 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.535 -2.425 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.829 -3.872 -5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.231 -5.139 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.850 -3.825 -2.941 1.00 0.00 H new ATOM 86 N GLU A 7 -9.216 -2.009 -6.657 1.00 0.00 N ATOM 87 CA GLU A 7 -8.312 -2.161 -7.784 1.00 0.00 C ATOM 88 C GLU A 7 -6.864 -2.239 -7.297 1.00 0.00 C ATOM 89 O GLU A 7 -6.084 -3.053 -7.787 1.00 0.00 O ATOM 90 CB GLU A 7 -8.491 -1.021 -8.788 1.00 0.00 C ATOM 91 CG GLU A 7 -8.936 -1.554 -10.151 1.00 0.00 C ATOM 92 CD GLU A 7 -10.429 -1.304 -10.377 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.218 -2.260 -10.419 1.00 0.00 O ATOM 94 OE2 GLU A 7 -10.760 -0.065 -10.510 1.00 0.00 O ATOM 0 H GLU A 7 -9.603 -1.072 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.554 -3.093 -8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.230 -0.313 -8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.553 -0.476 -8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.359 -1.071 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.729 -2.622 -10.213 1.00 0.00 H new ATOM 100 N ILE A 8 -6.549 -1.382 -6.337 1.00 0.00 N ATOM 101 CA ILE A 8 -5.208 -1.346 -5.777 1.00 0.00 C ATOM 102 C ILE A 8 -5.164 -2.208 -4.514 1.00 0.00 C ATOM 103 O ILE A 8 -4.106 -2.370 -3.907 1.00 0.00 O ATOM 104 CB ILE A 8 -4.763 0.101 -5.550 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.268 1.013 -6.670 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.245 0.186 -5.381 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.068 2.486 -6.311 1.00 0.00 C ATOM 0 H ILE A 8 -7.199 -0.707 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.490 -1.771 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.211 0.455 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.739 0.786 -7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.325 0.820 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.954 1.224 -5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.940 -0.412 -4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.757 -0.193 -6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.435 3.112 -7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.618 2.716 -5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.007 2.681 -6.154 1.00 0.00 H new ATOM 118 N ILE A 9 -6.323 -2.738 -4.156 1.00 0.00 N ATOM 119 CA ILE A 9 -6.430 -3.579 -2.977 1.00 0.00 C ATOM 120 C ILE A 9 -6.601 -5.038 -3.409 1.00 0.00 C ATOM 121 O ILE A 9 -6.010 -5.938 -2.816 1.00 0.00 O ATOM 122 CB ILE A 9 -7.545 -3.076 -2.057 1.00 0.00 C ATOM 123 CG1 ILE A 9 -7.252 -1.656 -1.568 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.778 -4.046 -0.897 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.927 -1.391 -0.222 1.00 0.00 C ATOM 0 H ILE A 9 -7.198 -2.601 -4.663 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.514 -3.525 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.470 -3.034 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.175 -1.515 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.605 -0.934 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.575 -3.665 -0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.063 -5.022 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.862 -4.143 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.703 -0.375 0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.006 -1.509 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.554 -2.099 0.518 1.00 0.00 H new ATOM 136 N ALA A 10 -7.413 -5.223 -4.441 1.00 0.00 N ATOM 137 CA ALA A 10 -7.669 -6.556 -4.959 1.00 0.00 C ATOM 138 C ALA A 10 -6.724 -6.833 -6.130 1.00 0.00 C ATOM 139 O ALA A 10 -6.266 -7.961 -6.309 1.00 0.00 O ATOM 140 CB ALA A 10 -9.142 -6.674 -5.358 1.00 0.00 C ATOM 0 H ALA A 10 -7.901 -4.473 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.477 -7.309 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.335 -7.674 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.771 -6.497 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.371 -5.936 -6.126 1.00 0.00 H new ATOM 146 N GLY A 11 -6.461 -5.786 -6.898 1.00 0.00 N ATOM 147 CA GLY A 11 -5.578 -5.902 -8.046 1.00 0.00 C ATOM 148 C GLY A 11 -4.130 -6.121 -7.605 1.00 0.00 C ATOM 149 O GLY A 11 -3.401 -6.900 -8.216 1.00 0.00 O ATOM 0 H GLY A 11 -6.844 -4.853 -6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.900 -6.733 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.644 -4.999 -8.653 1.00 0.00 H new ATOM 153 N ILE A 12 -3.755 -5.418 -6.545 1.00 0.00 N ATOM 154 CA ILE A 12 -2.406 -5.525 -6.015 1.00 0.00 C ATOM 155 C ILE A 12 -2.298 -6.789 -5.160 1.00 0.00 C ATOM 156 O ILE A 12 -1.412 -7.615 -5.376 1.00 0.00 O ATOM 157 CB ILE A 12 -2.020 -4.244 -5.272 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.837 -3.079 -6.246 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.779 -4.467 -4.405 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.568 -2.288 -5.922 1.00 0.00 C ATOM 0 H ILE A 12 -4.362 -4.773 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.684 -5.626 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.838 -3.978 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.783 -3.458 -7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.703 -2.420 -6.197 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.526 -3.542 -3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.982 -5.248 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.056 -4.770 -5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.461 -1.465 -6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.636 -1.890 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.299 -2.945 -5.996 1.00 0.00 H new ATOM 171 N ALA A 13 -3.212 -6.900 -4.207 1.00 0.00 N ATOM 172 CA ALA A 13 -3.230 -8.049 -3.318 1.00 0.00 C ATOM 173 C ALA A 13 -2.985 -9.322 -4.132 1.00 0.00 C ATOM 174 O ALA A 13 -2.131 -10.134 -3.778 1.00 0.00 O ATOM 175 CB ALA A 13 -4.559 -8.089 -2.561 1.00 0.00 C ATOM 0 H ALA A 13 -3.945 -6.213 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.435 -7.973 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.572 -8.951 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.672 -7.176 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.381 -8.168 -3.273 1.00 0.00 H new ATOM 181 N GLU A 14 -3.748 -9.454 -5.207 1.00 0.00 N ATOM 182 CA GLU A 14 -3.624 -10.614 -6.074 1.00 0.00 C ATOM 183 C GLU A 14 -2.192 -10.735 -6.598 1.00 0.00 C ATOM 184 O GLU A 14 -1.618 -11.822 -6.601 1.00 0.00 O ATOM 185 CB GLU A 14 -4.627 -10.545 -7.227 1.00 0.00 C ATOM 186 CG GLU A 14 -5.993 -11.083 -6.799 1.00 0.00 C ATOM 187 CD GLU A 14 -6.412 -12.272 -7.667 1.00 0.00 C ATOM 188 OE1 GLU A 14 -5.811 -13.351 -7.570 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.402 -12.045 -8.463 1.00 0.00 O ATOM 0 H GLU A 14 -4.454 -8.778 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.852 -11.506 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.728 -9.513 -7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.254 -11.122 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.956 -11.387 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.739 -10.292 -6.875 1.00 0.00 H new ATOM 195 N ILE A 15 -1.656 -9.602 -7.029 1.00 0.00 N ATOM 196 CA ILE A 15 -0.302 -9.567 -7.554 1.00 0.00 C ATOM 197 C ILE A 15 0.681 -9.940 -6.442 1.00 0.00 C ATOM 198 O ILE A 15 1.596 -10.733 -6.658 1.00 0.00 O ATOM 199 CB ILE A 15 -0.014 -8.212 -8.202 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.873 -8.005 -9.451 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.479 -8.052 -8.501 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.703 -6.591 -10.006 1.00 0.00 C ATOM 0 H ILE A 15 -2.135 -8.702 -7.025 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.181 -10.305 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.286 -7.431 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.595 -8.734 -10.212 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.921 -8.181 -9.209 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.656 -7.080 -8.961 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.046 -8.122 -7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.800 -8.840 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.325 -6.471 -10.893 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.005 -5.865 -9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.342 -6.427 -10.270 1.00 0.00 H new ATOM 213 N ILE A 16 0.459 -9.349 -5.278 1.00 0.00 N ATOM 214 CA ILE A 16 1.315 -9.610 -4.131 1.00 0.00 C ATOM 215 C ILE A 16 1.389 -11.118 -3.889 1.00 0.00 C ATOM 216 O ILE A 16 2.422 -11.630 -3.460 1.00 0.00 O ATOM 217 CB ILE A 16 0.837 -8.813 -2.916 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.876 -7.310 -3.194 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.639 -9.186 -1.667 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.814 -6.509 -1.892 1.00 0.00 C ATOM 0 H ILE A 16 -0.300 -8.691 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 16 2.332 -9.269 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.203 -9.076 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.789 -7.060 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.039 -7.033 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.280 -8.606 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.515 -10.249 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.694 -8.970 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.843 -5.443 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.111 -6.743 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.665 -6.770 -1.263 1.00 0.00 H new ATOM 231 N GLU A 17 0.282 -11.787 -4.174 1.00 0.00 N ATOM 232 CA GLU A 17 0.210 -13.227 -3.992 1.00 0.00 C ATOM 233 C GLU A 17 0.991 -13.942 -5.095 1.00 0.00 C ATOM 234 O GLU A 17 1.041 -15.170 -5.129 1.00 0.00 O ATOM 235 CB GLU A 17 -1.244 -13.702 -3.953 1.00 0.00 C ATOM 236 CG GLU A 17 -1.330 -15.174 -3.545 1.00 0.00 C ATOM 237 CD GLU A 17 -2.037 -16.001 -4.621 1.00 0.00 C ATOM 238 OE1 GLU A 17 -1.426 -16.339 -5.645 1.00 0.00 O ATOM 239 OE2 GLU A 17 -3.267 -16.292 -4.363 1.00 0.00 O ATOM 0 H GLU A 17 -0.573 -11.359 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 17 0.665 -13.475 -3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.811 -13.092 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.701 -13.565 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.327 -15.568 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.868 -15.263 -2.601 1.00 0.00 H new ATOM 245 N GLU A 18 1.580 -13.141 -5.972 1.00 0.00 N ATOM 246 CA GLU A 18 2.356 -13.682 -7.075 1.00 0.00 C ATOM 247 C GLU A 18 3.851 -13.477 -6.822 1.00 0.00 C ATOM 248 O GLU A 18 4.652 -14.386 -7.038 1.00 0.00 O ATOM 249 CB GLU A 18 1.934 -13.053 -8.404 1.00 0.00 C ATOM 250 CG GLU A 18 0.432 -13.228 -8.641 1.00 0.00 C ATOM 251 CD GLU A 18 0.169 -14.089 -9.877 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.332 -13.580 -10.892 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.504 -15.329 -9.761 1.00 0.00 O ATOM 0 H GLU A 18 1.535 -12.122 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 18 2.161 -14.752 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.185 -11.992 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.491 -13.512 -9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.026 -13.691 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.036 -12.252 -8.767 1.00 0.00 H new ATOM 259 N VAL A 19 4.183 -12.278 -6.368 1.00 0.00 N ATOM 260 CA VAL A 19 5.568 -11.942 -6.084 1.00 0.00 C ATOM 261 C VAL A 19 5.934 -12.445 -4.686 1.00 0.00 C ATOM 262 O VAL A 19 6.746 -13.357 -4.544 1.00 0.00 O ATOM 263 CB VAL A 19 5.787 -10.437 -6.254 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.275 -10.112 -6.400 1.00 0.00 C ATOM 265 CG2 VAL A 19 4.989 -9.898 -7.442 1.00 0.00 C ATOM 0 H VAL A 19 3.517 -11.527 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 19 6.234 -12.436 -6.792 1.00 0.00 H new ATOM 0 HB VAL A 19 5.423 -9.942 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.402 -9.036 -6.519 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.809 -10.444 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.675 -10.624 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.162 -8.826 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.308 -10.403 -8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.927 -10.080 -7.279 1.00 0.00 H new ATOM 275 N THR A 20 5.317 -11.827 -3.690 1.00 0.00 N ATOM 276 CA THR A 20 5.567 -12.202 -2.308 1.00 0.00 C ATOM 277 C THR A 20 4.859 -13.516 -1.975 1.00 0.00 C ATOM 278 O THR A 20 5.229 -14.200 -1.021 1.00 0.00 O ATOM 279 CB THR A 20 5.135 -11.035 -1.416 1.00 0.00 C ATOM 280 OG1 THR A 20 3.738 -10.908 -1.664 1.00 0.00 O ATOM 281 CG2 THR A 20 5.718 -9.697 -1.879 1.00 0.00 C ATOM 0 H THR A 20 4.645 -11.070 -3.812 1.00 0.00 H new ATOM 0 HA THR A 20 6.627 -12.388 -2.134 1.00 0.00 H new ATOM 0 HB THR A 20 5.443 -11.230 -0.389 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.482 -11.497 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.381 -8.903 -1.213 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.807 -9.749 -1.860 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.382 -9.486 -2.894 1.00 0.00 H new ATOM 289 N GLY A 21 3.853 -13.830 -2.779 1.00 0.00 N ATOM 290 CA GLY A 21 3.090 -15.050 -2.581 1.00 0.00 C ATOM 291 C GLY A 21 2.217 -14.954 -1.328 1.00 0.00 C ATOM 292 O GLY A 21 1.825 -15.972 -0.760 1.00 0.00 O ATOM 0 H GLY A 21 3.549 -13.260 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.462 -15.236 -3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.770 -15.897 -2.491 1.00 0.00 H new ATOM 296 N ILE A 22 1.939 -13.720 -0.933 1.00 0.00 N ATOM 297 CA ILE A 22 1.119 -13.477 0.242 1.00 0.00 C ATOM 298 C ILE A 22 -0.357 -13.629 -0.131 1.00 0.00 C ATOM 299 O ILE A 22 -0.702 -13.666 -1.311 1.00 0.00 O ATOM 300 CB ILE A 22 1.461 -12.122 0.864 1.00 0.00 C ATOM 301 CG1 ILE A 22 2.918 -12.085 1.331 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.488 -11.774 1.992 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.404 -10.644 1.500 1.00 0.00 C ATOM 0 H ILE A 22 2.267 -12.878 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 22 1.330 -14.217 1.014 1.00 0.00 H new ATOM 0 HB ILE A 22 1.349 -11.356 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.014 -12.618 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.548 -12.603 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.754 -10.806 2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.527 -11.730 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.542 -12.538 2.768 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.442 -10.647 1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.330 -10.121 0.547 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.787 -10.136 2.241 1.00 0.00 H new ATOM 314 N GLU A 23 -1.188 -13.710 0.897 1.00 0.00 N ATOM 315 CA GLU A 23 -2.619 -13.856 0.693 1.00 0.00 C ATOM 316 C GLU A 23 -3.207 -12.566 0.113 1.00 0.00 C ATOM 317 O GLU A 23 -2.688 -11.479 0.359 1.00 0.00 O ATOM 318 CB GLU A 23 -3.323 -14.241 1.995 1.00 0.00 C ATOM 319 CG GLU A 23 -3.781 -15.701 1.959 1.00 0.00 C ATOM 320 CD GLU A 23 -2.638 -16.643 2.344 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.465 -16.248 2.291 1.00 0.00 O ATOM 322 OE2 GLU A 23 -3.007 -17.824 2.710 1.00 0.00 O ATOM 0 H GLU A 23 -0.898 -13.677 1.874 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.783 -14.662 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.648 -14.089 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.183 -13.590 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.618 -15.840 2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.141 -15.949 0.960 1.00 0.00 H new ATOM 328 N PRO A 24 -4.309 -12.736 -0.665 1.00 0.00 N ATOM 329 CA PRO A 24 -4.972 -11.599 -1.281 1.00 0.00 C ATOM 330 C PRO A 24 -5.780 -10.809 -0.248 1.00 0.00 C ATOM 331 O PRO A 24 -5.660 -9.589 -0.163 1.00 0.00 O ATOM 332 CB PRO A 24 -5.836 -12.196 -2.380 1.00 0.00 C ATOM 333 CG PRO A 24 -5.984 -13.670 -2.040 1.00 0.00 C ATOM 334 CD PRO A 24 -4.952 -14.009 -0.978 1.00 0.00 C ATOM 0 HA PRO A 24 -4.269 -10.875 -1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.808 -11.705 -2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.371 -12.065 -3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.990 -13.878 -1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.833 -14.284 -2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.421 -14.443 -0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.230 -14.737 -1.346 1.00 0.00 H new ATOM 339 N SER A 25 -6.584 -11.540 0.510 1.00 0.00 N ATOM 340 CA SER A 25 -7.411 -10.923 1.534 1.00 0.00 C ATOM 341 C SER A 25 -6.529 -10.366 2.653 1.00 0.00 C ATOM 342 O SER A 25 -6.921 -9.431 3.350 1.00 0.00 O ATOM 343 CB SER A 25 -8.422 -11.921 2.101 1.00 0.00 C ATOM 344 OG SER A 25 -9.739 -11.381 2.145 1.00 0.00 O ATOM 0 H SER A 25 -6.681 -12.553 0.436 1.00 0.00 H new ATOM 0 HA SER A 25 -7.967 -10.104 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.421 -12.824 1.491 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.117 -12.215 3.105 1.00 0.00 H new ATOM 0 HG SER A 25 -10.355 -12.050 2.511 1.00 0.00 H new ATOM 349 N GLU A 26 -5.355 -10.964 2.792 1.00 0.00 N ATOM 350 CA GLU A 26 -4.415 -10.539 3.815 1.00 0.00 C ATOM 351 C GLU A 26 -3.988 -9.090 3.575 1.00 0.00 C ATOM 352 O GLU A 26 -3.946 -8.288 4.507 1.00 0.00 O ATOM 353 CB GLU A 26 -3.200 -11.468 3.863 1.00 0.00 C ATOM 354 CG GLU A 26 -2.508 -11.396 5.225 1.00 0.00 C ATOM 355 CD GLU A 26 -1.022 -11.740 5.105 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.667 -12.921 4.978 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.224 -10.728 5.145 1.00 0.00 O ATOM 0 H GLU A 26 -5.033 -11.740 2.213 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.912 -10.595 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.513 -12.493 3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.496 -11.192 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.621 -10.395 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.990 -12.086 5.918 1.00 0.00 H new ATOM 363 N ILE A 27 -3.681 -8.797 2.319 1.00 0.00 N ATOM 364 CA ILE A 27 -3.260 -7.458 1.945 1.00 0.00 C ATOM 365 C ILE A 27 -4.389 -6.470 2.243 1.00 0.00 C ATOM 366 O ILE A 27 -5.563 -6.791 2.061 1.00 0.00 O ATOM 367 CB ILE A 27 -2.787 -7.433 0.490 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.335 -7.903 0.376 1.00 0.00 C ATOM 369 CG2 ILE A 27 -2.990 -6.048 -0.128 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.031 -8.995 1.404 1.00 0.00 C ATOM 0 H ILE A 27 -3.716 -9.464 1.548 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.401 -7.148 2.541 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.398 -8.134 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.149 -8.282 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.663 -7.059 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.646 -6.057 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.048 -5.789 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.421 -5.310 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.007 -9.312 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.194 -8.605 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.689 -9.847 1.235 1.00 0.00 H new ATOM 381 N THR A 28 -3.995 -5.288 2.693 1.00 0.00 N ATOM 382 CA THR A 28 -4.960 -4.251 3.017 1.00 0.00 C ATOM 383 C THR A 28 -4.284 -2.878 3.025 1.00 0.00 C ATOM 384 O THR A 28 -3.060 -2.783 2.957 1.00 0.00 O ATOM 385 CB THR A 28 -5.614 -4.613 4.351 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.711 -5.546 4.939 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.908 -5.411 4.172 1.00 0.00 C ATOM 0 H THR A 28 -3.021 -5.025 2.841 1.00 0.00 H new ATOM 0 HA THR A 28 -5.743 -4.190 2.261 1.00 0.00 H new ATOM 0 HB THR A 28 -5.824 -3.702 4.911 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.058 -5.833 5.810 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.331 -5.642 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.622 -4.822 3.597 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.693 -6.339 3.641 1.00 0.00 H new ATOM 395 N PRO A 29 -5.135 -1.820 3.110 1.00 0.00 N ATOM 396 CA PRO A 29 -4.633 -0.456 3.127 1.00 0.00 C ATOM 397 C PRO A 29 -4.018 -0.116 4.486 1.00 0.00 C ATOM 398 O PRO A 29 -4.237 0.972 5.016 1.00 0.00 O ATOM 399 CB PRO A 29 -5.835 0.409 2.786 1.00 0.00 C ATOM 400 CG PRO A 29 -7.058 -0.454 3.046 1.00 0.00 C ATOM 401 CD PRO A 29 -6.591 -1.893 3.192 1.00 0.00 C ATOM 0 HA PRO A 29 -3.827 -0.295 2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.855 1.309 3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.800 0.733 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.572 -0.126 3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.769 -0.365 2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.913 -2.320 4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.001 -2.524 2.404 1.00 0.00 H new ATOM 406 N GLU A 30 -3.260 -1.067 5.012 1.00 0.00 N ATOM 407 CA GLU A 30 -2.611 -0.881 6.299 1.00 0.00 C ATOM 408 C GLU A 30 -1.122 -1.219 6.196 1.00 0.00 C ATOM 409 O GLU A 30 -0.314 -0.716 6.975 1.00 0.00 O ATOM 410 CB GLU A 30 -3.291 -1.722 7.381 1.00 0.00 C ATOM 411 CG GLU A 30 -4.654 -1.137 7.756 1.00 0.00 C ATOM 412 CD GLU A 30 -4.584 -0.396 9.093 1.00 0.00 C ATOM 413 OE1 GLU A 30 -5.117 -0.885 10.100 1.00 0.00 O ATOM 414 OE2 GLU A 30 -3.946 0.724 9.063 1.00 0.00 O ATOM 0 H GLU A 30 -3.081 -1.969 4.570 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.706 0.166 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.416 -2.745 7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.655 -1.767 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.988 -0.454 6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.392 -1.936 7.818 1.00 0.00 H new ATOM 420 N LYS A 31 -0.806 -2.067 5.230 1.00 0.00 N ATOM 421 CA LYS A 31 0.571 -2.478 5.016 1.00 0.00 C ATOM 422 C LYS A 31 1.485 -1.255 5.119 1.00 0.00 C ATOM 423 O LYS A 31 1.028 -0.121 4.980 1.00 0.00 O ATOM 424 CB LYS A 31 0.705 -3.236 3.693 1.00 0.00 C ATOM 425 CG LYS A 31 -0.302 -4.386 3.617 1.00 0.00 C ATOM 426 CD LYS A 31 0.352 -5.650 3.055 1.00 0.00 C ATOM 427 CE LYS A 31 0.134 -6.842 3.990 1.00 0.00 C ATOM 428 NZ LYS A 31 1.083 -7.932 3.672 1.00 0.00 N ATOM 0 H LYS A 31 -1.480 -2.481 4.586 1.00 0.00 H new ATOM 0 HA LYS A 31 0.885 -3.178 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.545 -2.552 2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.718 -3.627 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.702 -4.590 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.143 -4.097 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.064 -5.873 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.420 -5.481 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.266 -6.528 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.890 -7.204 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.758 -8.816 4.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.134 -8.058 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.026 -7.689 4.038 1.00 0.00 H new ATOM 437 N SER A 32 2.759 -1.527 5.359 1.00 0.00 N ATOM 438 CA SER A 32 3.741 -0.463 5.483 1.00 0.00 C ATOM 439 C SER A 32 4.849 -0.652 4.445 1.00 0.00 C ATOM 440 O SER A 32 5.907 -0.030 4.541 1.00 0.00 O ATOM 441 CB SER A 32 4.334 -0.422 6.892 1.00 0.00 C ATOM 442 OG SER A 32 4.487 0.913 7.368 1.00 0.00 O ATOM 0 H SER A 32 3.134 -2.469 5.471 1.00 0.00 H new ATOM 0 HA SER A 32 3.240 0.488 5.302 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.690 -0.978 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.303 -0.920 6.892 1.00 0.00 H new ATOM 0 HG SER A 32 4.867 0.897 8.271 1.00 0.00 H new ATOM 447 N PHE A 33 4.570 -1.513 3.477 1.00 0.00 N ATOM 448 CA PHE A 33 5.531 -1.791 2.423 1.00 0.00 C ATOM 449 C PHE A 33 6.597 -2.780 2.900 1.00 0.00 C ATOM 450 O PHE A 33 7.137 -3.547 2.104 1.00 0.00 O ATOM 451 CB PHE A 33 6.204 -0.463 2.070 1.00 0.00 C ATOM 452 CG PHE A 33 6.451 -0.269 0.572 1.00 0.00 C ATOM 453 CD1 PHE A 33 7.532 -0.843 -0.019 1.00 0.00 C ATOM 454 CD2 PHE A 33 5.586 0.477 -0.167 1.00 0.00 C ATOM 455 CE1 PHE A 33 7.760 -0.663 -1.409 1.00 0.00 C ATOM 456 CE2 PHE A 33 5.816 0.657 -1.557 1.00 0.00 C ATOM 457 CZ PHE A 33 6.897 0.083 -2.149 1.00 0.00 C ATOM 0 H PHE A 33 3.692 -2.027 3.401 1.00 0.00 H new ATOM 0 HA PHE A 33 5.025 -2.231 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.583 0.355 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.156 -0.399 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.217 -1.436 0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.726 0.931 0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.619 -1.119 -1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.131 1.251 -2.144 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.070 0.219 -3.206 1.00 0.00 H new ATOM 466 N VAL A 34 6.868 -2.728 4.195 1.00 0.00 N ATOM 467 CA VAL A 34 7.861 -3.610 4.787 1.00 0.00 C ATOM 468 C VAL A 34 7.393 -4.033 6.182 1.00 0.00 C ATOM 469 O VAL A 34 7.265 -5.224 6.462 1.00 0.00 O ATOM 470 CB VAL A 34 9.229 -2.927 4.797 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.882 -3.027 6.177 1.00 0.00 C ATOM 472 CG2 VAL A 34 10.141 -3.508 3.715 1.00 0.00 C ATOM 0 H VAL A 34 6.418 -2.090 4.851 1.00 0.00 H new ATOM 0 HA VAL A 34 7.971 -4.516 4.191 1.00 0.00 H new ATOM 0 HB VAL A 34 9.077 -1.871 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.854 -2.533 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.245 -2.543 6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.014 -4.076 6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.107 -3.004 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.282 -4.574 3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.684 -3.360 2.736 1.00 0.00 H new ATOM 482 N ASP A 35 7.152 -3.035 7.018 1.00 0.00 N ATOM 483 CA ASP A 35 6.702 -3.288 8.377 1.00 0.00 C ATOM 484 C ASP A 35 5.735 -4.473 8.375 1.00 0.00 C ATOM 485 O ASP A 35 5.681 -5.235 9.339 1.00 0.00 O ATOM 486 CB ASP A 35 5.963 -2.076 8.948 1.00 0.00 C ATOM 487 CG ASP A 35 5.983 -1.967 10.473 1.00 0.00 C ATOM 488 OD1 ASP A 35 5.015 -2.341 11.152 1.00 0.00 O ATOM 489 OD2 ASP A 35 7.062 -1.465 10.970 1.00 0.00 O ATOM 0 H ASP A 35 7.260 -2.049 6.781 1.00 0.00 H new ATOM 0 HA ASP A 35 7.579 -3.496 8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.402 -1.171 8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.926 -2.112 8.615 1.00 0.00 H new ATOM 494 N ASP A 36 4.996 -4.592 7.283 1.00 0.00 N ATOM 495 CA ASP A 36 4.033 -5.672 7.143 1.00 0.00 C ATOM 496 C ASP A 36 4.571 -6.704 6.152 1.00 0.00 C ATOM 497 O ASP A 36 4.894 -7.828 6.534 1.00 0.00 O ATOM 498 CB ASP A 36 2.697 -5.154 6.608 1.00 0.00 C ATOM 499 CG ASP A 36 1.500 -5.377 7.534 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.555 -6.103 7.192 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.562 -4.758 8.664 1.00 0.00 O ATOM 0 H ASP A 36 5.044 -3.958 6.485 1.00 0.00 H new ATOM 0 HA ASP A 36 3.879 -6.115 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.791 -4.086 6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.493 -5.637 5.653 1.00 0.00 H new ATOM 506 N LEU A 37 4.653 -6.286 4.898 1.00 0.00 N ATOM 507 CA LEU A 37 5.147 -7.161 3.847 1.00 0.00 C ATOM 508 C LEU A 37 6.383 -7.909 4.351 1.00 0.00 C ATOM 509 O LEU A 37 6.456 -9.132 4.253 1.00 0.00 O ATOM 510 CB LEU A 37 5.389 -6.369 2.560 1.00 0.00 C ATOM 511 CG LEU A 37 4.138 -5.862 1.839 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.505 -4.847 0.755 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.318 -7.026 1.281 1.00 0.00 C ATOM 0 H LEU A 37 4.386 -5.353 4.585 1.00 0.00 H new ATOM 0 HA LEU A 37 4.400 -7.913 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.020 -5.512 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.952 -6.998 1.870 1.00 0.00 H new ATOM 0 HG LEU A 37 3.510 -5.345 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.599 -4.502 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.015 -3.998 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.163 -5.317 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.435 -6.638 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.924 -7.592 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.010 -7.679 2.098 1.00 0.00 H new ATOM 524 N ASP A 38 7.324 -7.141 4.882 1.00 0.00 N ATOM 525 CA ASP A 38 8.553 -7.716 5.402 1.00 0.00 C ATOM 526 C ASP A 38 9.303 -8.416 4.267 1.00 0.00 C ATOM 527 O ASP A 38 10.201 -9.220 4.515 1.00 0.00 O ATOM 528 CB ASP A 38 8.260 -8.754 6.486 1.00 0.00 C ATOM 529 CG ASP A 38 9.206 -8.719 7.688 1.00 0.00 C ATOM 530 OD1 ASP A 38 10.437 -8.727 7.532 1.00 0.00 O ATOM 531 OD2 ASP A 38 8.626 -8.682 8.839 1.00 0.00 O ATOM 0 H ASP A 38 7.260 -6.126 4.963 1.00 0.00 H new ATOM 0 HA ASP A 38 9.149 -6.909 5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.240 -8.608 6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.303 -9.747 6.038 1.00 0.00 H new ATOM 536 N ILE A 39 8.909 -8.085 3.046 1.00 0.00 N ATOM 537 CA ILE A 39 9.533 -8.671 1.873 1.00 0.00 C ATOM 538 C ILE A 39 10.580 -7.703 1.320 1.00 0.00 C ATOM 539 O ILE A 39 11.424 -8.090 0.512 1.00 0.00 O ATOM 540 CB ILE A 39 8.471 -9.080 0.849 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.895 -10.341 0.094 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.153 -7.923 -0.100 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.267 -10.156 -0.557 1.00 0.00 C ATOM 0 H ILE A 39 8.164 -7.418 2.844 1.00 0.00 H new ATOM 0 HA ILE A 39 10.057 -9.589 2.139 1.00 0.00 H new ATOM 0 HB ILE A 39 7.552 -9.320 1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.926 -11.187 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.155 -10.577 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.396 -8.239 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.778 -7.075 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.058 -7.630 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.544 -11.067 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.227 -9.325 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.009 -9.944 0.213 1.00 0.00 H new ATOM 554 N ASP A 40 10.494 -6.463 1.778 1.00 0.00 N ATOM 555 CA ASP A 40 11.425 -5.437 1.339 1.00 0.00 C ATOM 556 C ASP A 40 10.913 -4.812 0.039 1.00 0.00 C ATOM 557 O ASP A 40 9.780 -5.063 -0.369 1.00 0.00 O ATOM 558 CB ASP A 40 12.809 -6.028 1.066 1.00 0.00 C ATOM 559 CG ASP A 40 13.978 -5.064 1.277 1.00 0.00 C ATOM 560 OD1 ASP A 40 13.784 -3.901 1.660 1.00 0.00 O ATOM 561 OD2 ASP A 40 15.144 -5.557 1.028 1.00 0.00 O ATOM 0 H ASP A 40 9.794 -6.145 2.449 1.00 0.00 H new ATOM 0 HA ASP A 40 11.502 -4.691 2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.951 -6.894 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.837 -6.389 0.038 1.00 0.00 H new ATOM 566 N SER A 41 11.771 -4.010 -0.573 1.00 0.00 N ATOM 567 CA SER A 41 11.420 -3.348 -1.817 1.00 0.00 C ATOM 568 C SER A 41 11.780 -4.241 -3.006 1.00 0.00 C ATOM 569 O SER A 41 11.595 -3.853 -4.157 1.00 0.00 O ATOM 570 CB SER A 41 12.124 -1.995 -1.939 1.00 0.00 C ATOM 571 OG SER A 41 13.537 -2.114 -1.804 1.00 0.00 O ATOM 0 H SER A 41 12.709 -3.804 -0.230 1.00 0.00 H new ATOM 0 HA SER A 41 10.345 -3.170 -1.817 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.889 -1.550 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.743 -1.318 -1.175 1.00 0.00 H new ATOM 0 HG SER A 41 13.949 -1.229 -1.890 1.00 0.00 H new ATOM 576 N LEU A 42 12.290 -5.422 -2.685 1.00 0.00 N ATOM 577 CA LEU A 42 12.678 -6.374 -3.711 1.00 0.00 C ATOM 578 C LEU A 42 11.426 -6.884 -4.428 1.00 0.00 C ATOM 579 O LEU A 42 11.238 -6.626 -5.616 1.00 0.00 O ATOM 580 CB LEU A 42 13.539 -7.488 -3.111 1.00 0.00 C ATOM 581 CG LEU A 42 14.961 -7.606 -3.662 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.959 -6.874 -2.765 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.347 -9.072 -3.873 1.00 0.00 C ATOM 0 H LEU A 42 12.443 -5.740 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 42 13.302 -5.890 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.600 -7.333 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.029 -8.439 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 42 14.991 -7.121 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.962 -6.974 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.692 -5.819 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.935 -7.307 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.362 -9.128 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.296 -9.602 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.658 -9.531 -4.582 1.00 0.00 H new ATOM 594 N SER A 43 10.601 -7.597 -3.675 1.00 0.00 N ATOM 595 CA SER A 43 9.372 -8.145 -4.224 1.00 0.00 C ATOM 596 C SER A 43 8.397 -7.012 -4.556 1.00 0.00 C ATOM 597 O SER A 43 7.838 -6.971 -5.651 1.00 0.00 O ATOM 598 CB SER A 43 8.726 -9.132 -3.250 1.00 0.00 C ATOM 599 OG SER A 43 7.671 -9.872 -3.861 1.00 0.00 O ATOM 0 H SER A 43 10.759 -7.808 -2.690 1.00 0.00 H new ATOM 0 HA SER A 43 9.617 -8.686 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.483 -9.821 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.337 -8.589 -2.389 1.00 0.00 H new ATOM 0 HG SER A 43 7.638 -10.773 -3.476 1.00 0.00 H new ATOM 604 N MET A 44 8.223 -6.122 -3.590 1.00 0.00 N ATOM 605 CA MET A 44 7.326 -4.994 -3.766 1.00 0.00 C ATOM 606 C MET A 44 7.605 -4.272 -5.086 1.00 0.00 C ATOM 607 O MET A 44 6.704 -3.675 -5.675 1.00 0.00 O ATOM 608 CB MET A 44 7.501 -4.015 -2.602 1.00 0.00 C ATOM 609 CG MET A 44 6.319 -4.098 -1.634 1.00 0.00 C ATOM 610 SD MET A 44 5.477 -2.527 -1.561 1.00 0.00 S ATOM 611 CE MET A 44 3.784 -3.074 -1.713 1.00 0.00 C ATOM 0 H MET A 44 8.688 -6.160 -2.683 1.00 0.00 H new ATOM 0 HA MET A 44 6.302 -5.368 -3.787 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.427 -4.237 -2.071 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.590 -2.999 -2.987 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.627 -4.876 -1.958 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.671 -4.378 -0.641 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.325 -2.599 -2.580 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.761 -4.157 -1.838 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.231 -2.801 -0.814 1.00 0.00 H new ATOM 619 N VAL A 45 8.857 -4.350 -5.513 1.00 0.00 N ATOM 620 CA VAL A 45 9.266 -3.711 -6.753 1.00 0.00 C ATOM 621 C VAL A 45 8.580 -4.406 -7.930 1.00 0.00 C ATOM 622 O VAL A 45 8.226 -3.760 -8.916 1.00 0.00 O ATOM 623 CB VAL A 45 10.792 -3.715 -6.864 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.236 -3.952 -8.309 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.385 -2.415 -6.315 1.00 0.00 C ATOM 0 H VAL A 45 9.602 -4.846 -5.023 1.00 0.00 H new ATOM 0 HA VAL A 45 8.954 -2.667 -6.766 1.00 0.00 H new ATOM 0 HB VAL A 45 11.170 -4.538 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.325 -3.950 -8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.858 -4.915 -8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.842 -3.160 -8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.471 -2.444 -6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.996 -1.569 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.111 -2.305 -5.266 1.00 0.00 H new ATOM 635 N GLU A 46 8.411 -5.712 -7.788 1.00 0.00 N ATOM 636 CA GLU A 46 7.772 -6.501 -8.828 1.00 0.00 C ATOM 637 C GLU A 46 6.284 -6.157 -8.918 1.00 0.00 C ATOM 638 O GLU A 46 5.794 -5.782 -9.982 1.00 0.00 O ATOM 639 CB GLU A 46 7.974 -7.998 -8.583 1.00 0.00 C ATOM 640 CG GLU A 46 8.711 -8.651 -9.753 1.00 0.00 C ATOM 641 CD GLU A 46 10.156 -8.982 -9.376 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.401 -9.558 -8.306 1.00 0.00 O ATOM 643 OE2 GLU A 46 11.043 -8.621 -10.241 1.00 0.00 O ATOM 0 H GLU A 46 8.705 -6.244 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 46 8.240 -6.255 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.540 -8.146 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.007 -8.481 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.192 -9.562 -10.051 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.700 -7.982 -10.613 1.00 0.00 H new ATOM 649 N ILE A 47 5.608 -6.296 -7.787 1.00 0.00 N ATOM 650 CA ILE A 47 4.186 -6.004 -7.725 1.00 0.00 C ATOM 651 C ILE A 47 3.902 -4.705 -8.484 1.00 0.00 C ATOM 652 O ILE A 47 2.957 -4.633 -9.266 1.00 0.00 O ATOM 653 CB ILE A 47 3.706 -5.984 -6.273 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.435 -7.402 -5.765 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.487 -5.074 -6.111 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.231 -7.691 -4.491 1.00 0.00 C ATOM 0 H ILE A 47 6.019 -6.607 -6.907 1.00 0.00 H new ATOM 0 HA ILE A 47 3.614 -6.792 -8.215 1.00 0.00 H new ATOM 0 HB ILE A 47 4.502 -5.568 -5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.370 -7.524 -5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.701 -8.125 -6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.166 -5.078 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.750 -4.058 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.676 -5.437 -6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.019 -8.705 -4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.297 -7.592 -4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.945 -6.982 -3.714 1.00 0.00 H new ATOM 667 N ALA A 48 4.741 -3.712 -8.226 1.00 0.00 N ATOM 668 CA ALA A 48 4.592 -2.420 -8.874 1.00 0.00 C ATOM 669 C ALA A 48 4.876 -2.570 -10.370 1.00 0.00 C ATOM 670 O ALA A 48 4.087 -2.126 -11.204 1.00 0.00 O ATOM 671 CB ALA A 48 5.517 -1.402 -8.205 1.00 0.00 C ATOM 0 H ALA A 48 5.526 -3.776 -7.577 1.00 0.00 H new ATOM 0 HA ALA A 48 3.572 -2.052 -8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.405 -0.433 -8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.256 -1.311 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.551 -1.735 -8.295 1.00 0.00 H new ATOM 677 N VAL A 49 6.006 -3.197 -10.665 1.00 0.00 N ATOM 678 CA VAL A 49 6.403 -3.410 -12.047 1.00 0.00 C ATOM 679 C VAL A 49 5.220 -3.978 -12.832 1.00 0.00 C ATOM 680 O VAL A 49 5.140 -3.812 -14.048 1.00 0.00 O ATOM 681 CB VAL A 49 7.643 -4.307 -12.102 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.267 -5.739 -12.490 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.690 -3.737 -13.059 1.00 0.00 C ATOM 0 H VAL A 49 6.658 -3.564 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 49 6.679 -2.465 -12.515 1.00 0.00 H new ATOM 0 HB VAL A 49 8.081 -4.334 -11.104 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.166 -6.355 -12.522 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.574 -6.146 -11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.793 -5.737 -13.472 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.560 -4.393 -13.079 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.266 -3.665 -14.061 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.991 -2.746 -12.720 1.00 0.00 H new ATOM 693 N GLN A 50 4.329 -4.637 -12.106 1.00 0.00 N ATOM 694 CA GLN A 50 3.153 -5.230 -12.719 1.00 0.00 C ATOM 695 C GLN A 50 2.001 -4.224 -12.738 1.00 0.00 C ATOM 696 O GLN A 50 1.499 -3.870 -13.804 1.00 0.00 O ATOM 697 CB GLN A 50 2.746 -6.515 -11.996 1.00 0.00 C ATOM 698 CG GLN A 50 3.892 -7.531 -11.996 1.00 0.00 C ATOM 699 CD GLN A 50 3.413 -8.897 -11.501 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.828 -9.204 -10.276 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.714 -9.624 -12.188 1.00 0.00 N flip ATOM 0 H GLN A 50 4.398 -4.773 -11.098 1.00 0.00 H new ATOM 0 HA GLN A 50 3.398 -5.493 -13.748 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.460 -6.284 -10.970 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.871 -6.948 -12.481 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.298 -7.627 -13.003 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.701 -7.172 -11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.431 -9.326 -13.121 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.413 -10.530 -11.829 1.00 0.00 H new ATOM 708 N THR A 51 1.613 -3.792 -11.547 1.00 0.00 N ATOM 709 CA THR A 51 0.530 -2.834 -11.414 1.00 0.00 C ATOM 710 C THR A 51 0.775 -1.621 -12.315 1.00 0.00 C ATOM 711 O THR A 51 -0.160 -1.083 -12.906 1.00 0.00 O ATOM 712 CB THR A 51 0.396 -2.474 -9.933 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.287 -3.587 -9.365 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.553 -1.296 -9.700 1.00 0.00 C ATOM 0 H THR A 51 2.030 -4.089 -10.665 1.00 0.00 H new ATOM 0 HA THR A 51 -0.417 -3.260 -11.747 1.00 0.00 H new ATOM 0 HB THR A 51 1.379 -2.234 -9.528 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.100 -3.796 -8.489 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.612 -1.082 -8.633 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.179 -0.418 -10.226 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.545 -1.548 -10.075 1.00 0.00 H new ATOM 722 N GLU A 52 2.038 -1.228 -12.390 1.00 0.00 N ATOM 723 CA GLU A 52 2.418 -0.089 -13.209 1.00 0.00 C ATOM 724 C GLU A 52 2.409 -0.473 -14.690 1.00 0.00 C ATOM 725 O GLU A 52 2.670 0.363 -15.553 1.00 0.00 O ATOM 726 CB GLU A 52 3.787 0.453 -12.792 1.00 0.00 C ATOM 727 CG GLU A 52 3.702 1.180 -11.448 1.00 0.00 C ATOM 728 CD GLU A 52 4.991 0.994 -10.643 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.695 -0.010 -10.822 1.00 0.00 O ATOM 730 OE2 GLU A 52 5.251 1.941 -9.806 1.00 0.00 O ATOM 0 H GLU A 52 2.810 -1.677 -11.898 1.00 0.00 H new ATOM 0 HA GLU A 52 1.687 0.704 -13.055 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.501 -0.368 -12.721 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.160 1.135 -13.556 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.523 2.242 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.854 0.800 -10.878 1.00 0.00 H new ATOM 736 N ASP A 53 2.106 -1.739 -14.938 1.00 0.00 N ATOM 737 CA ASP A 53 2.058 -2.244 -16.300 1.00 0.00 C ATOM 738 C ASP A 53 0.636 -2.705 -16.619 1.00 0.00 C ATOM 739 O ASP A 53 -0.002 -2.179 -17.530 1.00 0.00 O ATOM 740 CB ASP A 53 2.995 -3.442 -16.476 1.00 0.00 C ATOM 741 CG ASP A 53 3.944 -3.350 -17.672 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.174 -3.391 -17.516 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.366 -3.231 -18.819 1.00 0.00 O ATOM 0 H ASP A 53 1.891 -2.430 -14.219 1.00 0.00 H new ATOM 0 HA ASP A 53 2.369 -1.441 -16.969 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.588 -3.557 -15.569 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.392 -4.344 -16.579 1.00 0.00 H new ATOM 748 N LYS A 54 0.178 -3.685 -15.852 1.00 0.00 N ATOM 749 CA LYS A 54 -1.157 -4.223 -16.042 1.00 0.00 C ATOM 750 C LYS A 54 -2.133 -3.073 -16.302 1.00 0.00 C ATOM 751 O LYS A 54 -2.999 -3.173 -17.169 1.00 0.00 O ATOM 752 CB LYS A 54 -1.551 -5.109 -14.858 1.00 0.00 C ATOM 753 CG LYS A 54 -1.244 -6.580 -15.149 1.00 0.00 C ATOM 754 CD LYS A 54 -1.536 -7.452 -13.926 1.00 0.00 C ATOM 755 CE LYS A 54 -3.022 -7.807 -13.848 1.00 0.00 C ATOM 756 NZ LYS A 54 -3.204 -9.276 -13.828 1.00 0.00 N ATOM 0 H LYS A 54 0.709 -4.120 -15.098 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.186 -4.871 -16.918 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.012 -4.791 -13.966 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.614 -4.990 -14.648 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.843 -6.920 -15.994 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.198 -6.687 -15.436 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.942 -8.365 -13.976 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.236 -6.926 -13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.460 -7.368 -12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.549 -7.381 -14.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.218 -9.499 -13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.804 -9.687 -14.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.718 -9.675 -13.000 1.00 0.00 H new ATOM 765 N TYR A 55 -1.960 -2.008 -15.533 1.00 0.00 N ATOM 766 CA TYR A 55 -2.815 -0.841 -15.669 1.00 0.00 C ATOM 767 C TYR A 55 -2.053 0.327 -16.297 1.00 0.00 C ATOM 768 O TYR A 55 -2.492 0.895 -17.296 1.00 0.00 O ATOM 769 CB TYR A 55 -3.233 -0.456 -14.249 1.00 0.00 C ATOM 770 CG TYR A 55 -4.387 0.547 -14.189 1.00 0.00 C ATOM 771 CD1 TYR A 55 -4.126 1.901 -14.231 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.688 0.097 -14.093 1.00 0.00 C ATOM 773 CE1 TYR A 55 -5.213 2.846 -14.175 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.774 1.040 -14.037 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.483 2.368 -14.081 1.00 0.00 C ATOM 776 OH TYR A 55 -7.508 3.260 -14.028 1.00 0.00 O ATOM 0 H TYR A 55 -1.241 -1.929 -14.814 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.668 -1.064 -16.310 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.521 -1.358 -13.709 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.372 -0.035 -13.730 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.108 2.253 -14.306 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.891 -0.963 -14.060 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.024 3.909 -14.207 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.797 0.701 -13.962 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.359 2.777 -13.963 1.00 0.00 H new ATOM 785 N GLY A 56 -0.922 0.652 -15.686 1.00 0.00 N ATOM 786 CA GLY A 56 -0.094 1.742 -16.173 1.00 0.00 C ATOM 787 C GLY A 56 -0.039 2.884 -15.158 1.00 0.00 C ATOM 788 O GLY A 56 0.145 4.043 -15.529 1.00 0.00 O ATOM 0 H GLY A 56 -0.560 0.179 -14.858 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.914 1.377 -16.371 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.491 2.110 -17.119 1.00 0.00 H new ATOM 792 N VAL A 57 -0.200 2.518 -13.894 1.00 0.00 N ATOM 793 CA VAL A 57 -0.171 3.498 -12.822 1.00 0.00 C ATOM 794 C VAL A 57 1.196 4.184 -12.801 1.00 0.00 C ATOM 795 O VAL A 57 2.206 3.574 -13.150 1.00 0.00 O ATOM 796 CB VAL A 57 -0.524 2.829 -11.492 1.00 0.00 C ATOM 797 CG1 VAL A 57 -1.881 2.128 -11.575 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.572 1.853 -11.061 1.00 0.00 C ATOM 0 H VAL A 57 -0.351 1.556 -13.589 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.920 4.271 -12.991 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.595 3.608 -10.733 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.108 1.661 -10.617 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.654 2.858 -11.815 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.849 1.365 -12.353 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.296 1.391 -10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.690 1.080 -11.820 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.512 2.391 -10.942 1.00 0.00 H new ATOM 808 N LYS A 58 1.185 5.443 -12.389 1.00 0.00 N ATOM 809 CA LYS A 58 2.412 6.219 -12.318 1.00 0.00 C ATOM 810 C LYS A 58 2.897 6.267 -10.868 1.00 0.00 C ATOM 811 O LYS A 58 2.329 6.982 -10.043 1.00 0.00 O ATOM 812 CB LYS A 58 2.210 7.600 -12.945 1.00 0.00 C ATOM 813 CG LYS A 58 1.057 8.345 -12.269 1.00 0.00 C ATOM 814 CD LYS A 58 -0.084 8.602 -13.256 1.00 0.00 C ATOM 815 CE LYS A 58 -1.419 8.114 -12.688 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.750 8.842 -11.443 1.00 0.00 N ATOM 0 H LYS A 58 0.346 5.946 -12.101 1.00 0.00 H new ATOM 0 HA LYS A 58 3.199 5.741 -12.902 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.127 8.182 -12.854 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.004 7.493 -14.010 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.688 7.762 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.417 9.293 -11.869 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.146 9.668 -13.477 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.123 8.093 -14.197 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.210 8.262 -13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.366 7.044 -12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.764 8.734 -11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.193 8.453 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.526 9.851 -11.561 1.00 0.00 H new ATOM 825 N ILE A 59 3.941 5.497 -10.601 1.00 0.00 N ATOM 826 CA ILE A 59 4.509 5.442 -9.264 1.00 0.00 C ATOM 827 C ILE A 59 6.015 5.194 -9.365 1.00 0.00 C ATOM 828 O ILE A 59 6.483 4.084 -9.115 1.00 0.00 O ATOM 829 CB ILE A 59 3.771 4.409 -8.410 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.260 4.647 -8.445 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.316 4.390 -6.981 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.548 3.803 -7.386 1.00 0.00 C ATOM 0 H ILE A 59 4.409 4.906 -11.288 1.00 0.00 H new ATOM 0 HA ILE A 59 4.376 6.396 -8.754 1.00 0.00 H new ATOM 0 HB ILE A 59 3.951 3.422 -8.836 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.050 5.703 -8.275 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.872 4.400 -9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.774 3.647 -6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.376 4.136 -6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.187 5.373 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.475 3.991 -7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.740 2.747 -7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.921 4.070 -6.397 1.00 0.00 H new ATOM 843 N PRO A 60 6.752 6.274 -9.740 1.00 0.00 N ATOM 844 CA PRO A 60 8.195 6.184 -9.876 1.00 0.00 C ATOM 845 C PRO A 60 8.875 6.154 -8.505 1.00 0.00 C ATOM 846 O PRO A 60 8.232 6.393 -7.485 1.00 0.00 O ATOM 847 CB PRO A 60 8.588 7.395 -10.707 1.00 0.00 C ATOM 848 CG PRO A 60 7.420 8.363 -10.612 1.00 0.00 C ATOM 849 CD PRO A 60 6.231 7.604 -10.043 1.00 0.00 C ATOM 0 HA PRO A 60 8.515 5.262 -10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.503 7.849 -10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.778 7.113 -11.743 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.675 9.208 -9.972 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.179 8.769 -11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.842 8.090 -9.148 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.412 7.555 -10.761 1.00 0.00 H new ATOM 854 N ASP A 61 10.167 5.859 -8.527 1.00 0.00 N ATOM 855 CA ASP A 61 10.939 5.794 -7.299 1.00 0.00 C ATOM 856 C ASP A 61 10.849 7.138 -6.573 1.00 0.00 C ATOM 857 O ASP A 61 10.725 7.180 -5.350 1.00 0.00 O ATOM 858 CB ASP A 61 12.415 5.514 -7.591 1.00 0.00 C ATOM 859 CG ASP A 61 12.874 4.086 -7.285 1.00 0.00 C ATOM 860 OD1 ASP A 61 12.702 3.171 -8.103 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.439 3.930 -6.135 1.00 0.00 O ATOM 0 H ASP A 61 10.698 5.663 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 61 10.532 4.989 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.608 5.724 -8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.023 6.208 -7.010 1.00 0.00 H new ATOM 866 N GLU A 62 10.915 8.204 -7.357 1.00 0.00 N ATOM 867 CA GLU A 62 10.842 9.545 -6.804 1.00 0.00 C ATOM 868 C GLU A 62 9.712 9.637 -5.778 1.00 0.00 C ATOM 869 O GLU A 62 9.750 10.475 -4.880 1.00 0.00 O ATOM 870 CB GLU A 62 10.663 10.586 -7.912 1.00 0.00 C ATOM 871 CG GLU A 62 10.722 12.005 -7.345 1.00 0.00 C ATOM 872 CD GLU A 62 12.027 12.701 -7.741 1.00 0.00 C ATOM 873 OE1 GLU A 62 12.098 13.321 -8.812 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.988 12.579 -6.891 1.00 0.00 O ATOM 0 H GLU A 62 11.018 8.166 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 62 11.783 9.759 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.441 10.459 -8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.707 10.430 -8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.873 12.582 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.640 11.970 -6.259 1.00 0.00 H new ATOM 880 N ASP A 63 8.732 8.761 -5.946 1.00 0.00 N ATOM 881 CA ASP A 63 7.592 8.731 -5.045 1.00 0.00 C ATOM 882 C ASP A 63 7.614 7.429 -4.244 1.00 0.00 C ATOM 883 O ASP A 63 7.313 7.424 -3.051 1.00 0.00 O ATOM 884 CB ASP A 63 6.275 8.786 -5.822 1.00 0.00 C ATOM 885 CG ASP A 63 5.394 10.000 -5.517 1.00 0.00 C ATOM 886 OD1 ASP A 63 4.247 9.859 -5.066 1.00 0.00 O ATOM 887 OD2 ASP A 63 5.936 11.143 -5.764 1.00 0.00 O ATOM 0 H ASP A 63 8.704 8.067 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 63 7.660 9.597 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.499 8.778 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.707 7.881 -5.609 1.00 0.00 H new ATOM 892 N LEU A 64 7.975 6.355 -4.931 1.00 0.00 N ATOM 893 CA LEU A 64 8.040 5.049 -4.297 1.00 0.00 C ATOM 894 C LEU A 64 8.862 5.152 -3.011 1.00 0.00 C ATOM 895 O LEU A 64 8.718 4.326 -2.111 1.00 0.00 O ATOM 896 CB LEU A 64 8.567 4.001 -5.281 1.00 0.00 C ATOM 897 CG LEU A 64 8.076 2.569 -5.062 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.823 1.904 -3.905 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.560 2.534 -4.862 1.00 0.00 C ATOM 0 H LEU A 64 8.225 6.362 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 64 7.043 4.713 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.292 4.308 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.656 4.002 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 64 8.295 1.992 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.455 0.887 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.890 1.877 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.658 2.473 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.237 1.504 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.294 3.132 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.067 2.941 -5.745 1.00 0.00 H new ATOM 910 N ALA A 65 9.707 6.171 -2.966 1.00 0.00 N ATOM 911 CA ALA A 65 10.551 6.392 -1.804 1.00 0.00 C ATOM 912 C ALA A 65 9.689 6.872 -0.635 1.00 0.00 C ATOM 913 O ALA A 65 9.874 6.432 0.499 1.00 0.00 O ATOM 914 CB ALA A 65 11.657 7.390 -2.160 1.00 0.00 C ATOM 0 H ALA A 65 9.825 6.853 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 65 11.033 5.463 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.291 7.557 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.259 6.990 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.209 8.335 -2.469 1.00 0.00 H new ATOM 920 N GLY A 66 8.764 7.766 -0.951 1.00 0.00 N ATOM 921 CA GLY A 66 7.873 8.309 0.059 1.00 0.00 C ATOM 922 C GLY A 66 6.806 7.286 0.458 1.00 0.00 C ATOM 923 O GLY A 66 6.554 7.076 1.643 1.00 0.00 O ATOM 0 H GLY A 66 8.612 8.128 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.448 8.601 0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.393 9.211 -0.321 1.00 0.00 H new ATOM 927 N LEU A 67 6.210 6.676 -0.556 1.00 0.00 N ATOM 928 CA LEU A 67 5.178 5.679 -0.327 1.00 0.00 C ATOM 929 C LEU A 67 5.567 4.814 0.874 1.00 0.00 C ATOM 930 O LEU A 67 6.653 4.239 0.903 1.00 0.00 O ATOM 931 CB LEU A 67 4.914 4.877 -1.603 1.00 0.00 C ATOM 932 CG LEU A 67 4.552 5.693 -2.846 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.818 4.830 -3.874 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.750 6.940 -2.467 1.00 0.00 C ATOM 0 H LEU A 67 6.422 6.853 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 67 4.232 6.161 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.802 4.286 -1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.104 4.174 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 67 5.476 6.033 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.572 5.434 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.457 4.000 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.901 4.440 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.505 7.503 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.830 6.642 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.343 7.565 -1.799 1.00 0.00 H new ATOM 945 N ARG A 68 4.658 4.751 1.835 1.00 0.00 N ATOM 946 CA ARG A 68 4.892 3.965 3.035 1.00 0.00 C ATOM 947 C ARG A 68 3.870 2.831 3.136 1.00 0.00 C ATOM 948 O ARG A 68 4.217 1.707 3.496 1.00 0.00 O ATOM 949 CB ARG A 68 4.802 4.836 4.290 1.00 0.00 C ATOM 950 CG ARG A 68 6.176 5.003 4.942 1.00 0.00 C ATOM 951 CD ARG A 68 6.119 4.662 6.432 1.00 0.00 C ATOM 952 NE ARG A 68 7.424 4.955 7.068 1.00 0.00 N ATOM 953 CZ ARG A 68 7.878 4.341 8.181 1.00 0.00 C ATOM 954 NH1 ARG A 68 7.137 3.392 8.792 1.00 0.00 N ATOM 955 NH2 ARG A 68 9.060 4.681 8.663 1.00 0.00 N ATOM 0 H ARG A 68 3.758 5.231 1.808 1.00 0.00 H new ATOM 0 HA ARG A 68 5.897 3.548 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.398 5.814 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.111 4.384 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.900 4.357 4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.522 6.029 4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.331 5.239 6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.869 3.609 6.563 1.00 0.00 H new ATOM 0 HE ARG A 68 8.017 5.665 6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.226 3.134 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.488 2.933 9.633 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.615 5.398 8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.418 4.227 9.503 1.00 0.00 H new ATOM 964 N THR A 69 2.629 3.165 2.811 1.00 0.00 N ATOM 965 CA THR A 69 1.555 2.188 2.860 1.00 0.00 C ATOM 966 C THR A 69 0.738 2.229 1.567 1.00 0.00 C ATOM 967 O THR A 69 0.850 3.172 0.787 1.00 0.00 O ATOM 968 CB THR A 69 0.722 2.464 4.114 1.00 0.00 C ATOM 969 OG1 THR A 69 0.264 3.802 3.939 1.00 0.00 O ATOM 970 CG2 THR A 69 1.577 2.525 5.382 1.00 0.00 C ATOM 0 H THR A 69 2.344 4.098 2.513 1.00 0.00 H new ATOM 0 HA THR A 69 1.946 1.173 2.929 1.00 0.00 H new ATOM 0 HB THR A 69 -0.036 1.689 4.224 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.286 4.062 4.707 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.938 2.723 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.089 1.573 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.314 3.323 5.286 1.00 0.00 H new ATOM 978 N VAL A 70 -0.066 1.193 1.380 1.00 0.00 N ATOM 979 CA VAL A 70 -0.902 1.098 0.196 1.00 0.00 C ATOM 980 C VAL A 70 -1.699 2.395 0.033 1.00 0.00 C ATOM 981 O VAL A 70 -1.792 2.936 -1.067 1.00 0.00 O ATOM 982 CB VAL A 70 -1.792 -0.143 0.281 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.463 -0.430 -1.064 1.00 0.00 C ATOM 984 CG2 VAL A 70 -0.998 -1.357 0.767 1.00 0.00 C ATOM 0 H VAL A 70 -0.156 0.412 2.029 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.287 0.980 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.576 0.058 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.090 -1.317 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.078 0.422 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.699 -0.599 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.655 -2.225 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.182 -1.560 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.590 -1.152 1.757 1.00 0.00 H new ATOM 994 N GLY A 71 -2.252 2.855 1.146 1.00 0.00 N ATOM 995 CA GLY A 71 -3.037 4.077 1.141 1.00 0.00 C ATOM 996 C GLY A 71 -2.263 5.223 0.487 1.00 0.00 C ATOM 997 O GLY A 71 -2.853 6.084 -0.164 1.00 0.00 O ATOM 0 H GLY A 71 -2.172 2.403 2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.971 3.911 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.301 4.348 2.163 1.00 0.00 H new ATOM 1001 N ASP A 72 -0.952 5.197 0.682 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.091 6.223 0.118 1.00 0.00 C ATOM 1003 C ASP A 72 0.266 5.849 -1.322 1.00 0.00 C ATOM 1004 O ASP A 72 0.430 6.724 -2.171 1.00 0.00 O ATOM 1005 CB ASP A 72 1.211 6.345 0.911 1.00 0.00 C ATOM 1006 CG ASP A 72 1.786 7.760 0.996 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.109 8.746 0.669 1.00 0.00 O ATOM 1008 OD2 ASP A 72 3.001 7.830 1.427 1.00 0.00 O ATOM 0 H ASP A 72 -0.466 4.482 1.223 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.627 7.171 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.038 5.978 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.957 5.692 0.458 1.00 0.00 H new ATOM 1013 N VAL A 73 0.374 4.550 -1.552 1.00 0.00 N ATOM 1014 CA VAL A 73 0.708 4.049 -2.875 1.00 0.00 C ATOM 1015 C VAL A 73 -0.537 4.100 -3.764 1.00 0.00 C ATOM 1016 O VAL A 73 -0.444 3.929 -4.979 1.00 0.00 O ATOM 1017 CB VAL A 73 1.308 2.646 -2.768 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.914 2.205 -4.103 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.346 2.578 -1.645 1.00 0.00 C ATOM 0 H VAL A 73 0.236 3.828 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 73 1.467 4.678 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 73 0.502 1.955 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.334 1.204 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.139 2.196 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.702 2.901 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.757 1.570 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.149 3.287 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.872 2.829 -0.696 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.672 4.337 -3.124 1.00 0.00 N ATOM 1030 CA VAL A 74 -2.934 4.414 -3.842 1.00 0.00 C ATOM 1031 C VAL A 74 -3.264 5.880 -4.130 1.00 0.00 C ATOM 1032 O VAL A 74 -3.457 6.261 -5.283 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.030 3.698 -3.050 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.371 3.768 -3.785 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.639 2.248 -2.760 1.00 0.00 C ATOM 0 H VAL A 74 -1.745 4.478 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.859 3.904 -4.802 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.143 4.211 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.133 3.252 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.659 4.811 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.276 3.291 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.435 1.762 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.484 1.718 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.718 2.229 -2.177 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.319 6.661 -3.062 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.622 8.077 -3.185 1.00 0.00 C ATOM 1047 C ALA A 75 -2.814 8.669 -4.342 1.00 0.00 C ATOM 1048 O ALA A 75 -3.383 9.233 -5.276 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.335 8.779 -1.856 1.00 0.00 C ATOM 0 H ALA A 75 -3.159 6.340 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.678 8.224 -3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.562 9.841 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.955 8.342 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.283 8.654 -1.598 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.501 8.519 -4.243 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.611 9.031 -5.271 1.00 0.00 C ATOM 1057 C TYR A 76 -1.154 8.729 -6.668 1.00 0.00 C ATOM 1058 O TYR A 76 -0.872 9.458 -7.618 1.00 0.00 O ATOM 1059 CB TYR A 76 0.717 8.293 -5.082 1.00 0.00 C ATOM 1060 CG TYR A 76 1.819 8.740 -6.045 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.726 9.964 -6.680 1.00 0.00 C ATOM 1062 CD2 TYR A 76 2.906 7.923 -6.278 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.763 10.385 -7.585 1.00 0.00 C ATOM 1064 CE2 TYR A 76 3.943 8.345 -7.184 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.820 9.554 -7.793 1.00 0.00 C ATOM 1066 OH TYR A 76 4.800 9.952 -8.648 1.00 0.00 O ATOM 0 H TYR A 76 -1.033 8.051 -3.467 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.506 10.112 -5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.061 8.441 -4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.548 7.224 -5.210 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.876 10.604 -6.497 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.979 6.967 -5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.703 11.339 -8.088 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.799 7.715 -7.375 1.00 0.00 H new ATOM 0 HH TYR A 76 4.866 10.930 -8.638 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.924 7.654 -6.750 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.510 7.248 -8.016 1.00 0.00 C ATOM 1077 C ILE A 77 -3.771 8.074 -8.278 1.00 0.00 C ATOM 1078 O ILE A 77 -3.754 8.999 -9.088 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.749 5.737 -8.035 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.584 4.989 -7.383 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -3.024 5.243 -9.456 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.739 3.477 -7.555 1.00 0.00 C ATOM 0 H ILE A 77 -2.156 7.052 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.821 7.449 -8.837 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.639 5.525 -7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.644 5.315 -7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.537 5.235 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.190 4.166 -9.441 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.910 5.742 -9.849 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.168 5.469 -10.092 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.898 2.969 -7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.668 3.151 -7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.761 3.232 -8.617 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.835 7.708 -7.577 1.00 0.00 N ATOM 1094 CA GLN A 78 -6.102 8.404 -7.724 1.00 0.00 C ATOM 1095 C GLN A 78 -5.895 9.915 -7.604 1.00 0.00 C ATOM 1096 O GLN A 78 -6.310 10.674 -8.479 1.00 0.00 O ATOM 1097 CB GLN A 78 -7.123 7.907 -6.698 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.377 6.407 -6.860 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.875 5.791 -5.550 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.224 6.478 -4.604 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -7.890 4.462 -5.549 1.00 0.00 N ATOM 0 H GLN A 78 -4.845 6.939 -6.907 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.499 8.189 -8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.761 8.111 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -8.059 8.453 -6.817 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.113 6.242 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.459 5.911 -7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.584 3.948 -6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.207 3.956 -4.722 1.00 0.00 H new ATOM 1108 N LYS A 79 -5.253 10.308 -6.514 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.986 11.715 -6.268 1.00 0.00 C ATOM 1110 C LYS A 79 -4.589 12.391 -7.581 1.00 0.00 C ATOM 1111 O LYS A 79 -5.174 13.403 -7.964 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.950 11.877 -5.154 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.459 11.282 -3.839 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.553 12.160 -3.228 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.969 13.469 -2.691 1.00 0.00 C ATOM 1116 NZ LYS A 79 -4.050 13.201 -1.562 1.00 0.00 N ATOM 0 H LYS A 79 -4.910 9.676 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.885 12.217 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.020 11.387 -5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.723 12.934 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.849 10.279 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.632 11.183 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.312 12.377 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.049 11.621 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.436 13.990 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.774 14.127 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.942 14.063 -0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.439 12.439 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.122 12.912 -1.931 1.00 0.00 H new