USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 674 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 Set 1.1: A 9 MET CE :methyl 139:sc= -0.0488 (180deg=-0.0622) USER MOD Set 1.2: A 17 LYS NZ :NH3+ -162:sc= 0.0732 (180deg=-0.0536) USER MOD Single : A 10 LYS NZ :NH3+ 142:sc= -0.851 (180deg=-2.5!) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.231 F(o=-0.78,f=-0.23) USER MOD Single : A 19 GLN : amide:sc= 1.18 K(o=1.2,f=-0.015) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.02 K(o=-1,f=-4.2!) USER MOD Single : A 35 THR OG1 : rot -159:sc= -0.746 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0135 (180deg=-0.172) USER MOD Single : A 46 ASN : amide:sc= -2.01 K(o=-2,f=-7.6!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0946 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 74:sc= 0.748 USER MOD Single : A 60 MET CE :methyl -107:sc= -1.27 (180deg=-4.56!) USER MOD Single : A 62 ASN : amide:sc= -0.998 K(o=-1,f=-1.7) USER MOD Single : A 63 TYR OH : rot -14:sc= -0.771 USER MOD Single : A 66 SER OG : rot 76:sc= 0.804 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0922 K(o=-0.092,f=-2!) USER MOD Single : A 80 MET CE :methyl 169:sc= -1.19 (180deg=-2.06) USER MOD Single : A 82 TYR OH : rot 10:sc= 0.0486 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 68 N ASP A 8 2.504 8.542 0.965 1.00 0.00 N ATOM 69 CA ASP A 8 1.197 9.101 1.291 1.00 0.00 C ATOM 70 C ASP A 8 0.230 8.004 1.728 1.00 0.00 C ATOM 71 O ASP A 8 -0.827 7.814 1.123 1.00 0.00 O ATOM 72 CB ASP A 8 0.627 9.855 0.088 1.00 0.00 C ATOM 73 CG ASP A 8 0.981 11.329 0.109 1.00 0.00 C ATOM 74 OD1 ASP A 8 0.334 12.085 0.863 1.00 0.00 O ATOM 75 OD2 ASP A 8 1.908 11.728 -0.628 1.00 0.00 O ATOM 0 HA ASP A 8 1.323 9.798 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.005 9.406 -0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.457 9.745 0.074 1.00 0.00 H new ATOM 80 N MET A 9 0.599 7.283 2.782 1.00 0.00 N ATOM 81 CA MET A 9 -0.235 6.205 3.301 1.00 0.00 C ATOM 82 C MET A 9 -1.083 6.683 4.477 1.00 0.00 C ATOM 83 O MET A 9 -2.136 6.116 4.764 1.00 0.00 O ATOM 84 CB MET A 9 0.634 5.023 3.733 1.00 0.00 C ATOM 85 CG MET A 9 1.103 4.156 2.575 1.00 0.00 C ATOM 86 SD MET A 9 -0.254 3.290 1.763 1.00 0.00 S ATOM 87 CE MET A 9 -0.545 1.955 2.920 1.00 0.00 C ATOM 0 H MET A 9 1.470 7.426 3.293 1.00 0.00 H new ATOM 0 HA MET A 9 -0.905 5.885 2.503 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.505 5.400 4.269 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.071 4.406 4.433 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.620 4.779 1.845 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.827 3.428 2.941 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.618 1.800 3.034 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.084 1.041 2.545 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.110 2.210 3.886 1.00 0.00 H new ATOM 97 N LYS A 10 -0.616 7.729 5.154 1.00 0.00 N ATOM 98 CA LYS A 10 -1.331 8.282 6.299 1.00 0.00 C ATOM 99 C LYS A 10 -2.761 8.660 5.921 1.00 0.00 C ATOM 100 O LYS A 10 -3.670 8.595 6.749 1.00 0.00 O ATOM 101 CB LYS A 10 -0.591 9.504 6.846 1.00 0.00 C ATOM 102 CG LYS A 10 -0.184 9.367 8.304 1.00 0.00 C ATOM 103 CD LYS A 10 0.970 10.293 8.651 1.00 0.00 C ATOM 104 CE LYS A 10 2.304 9.706 8.221 1.00 0.00 C ATOM 105 NZ LYS A 10 2.624 10.029 6.803 1.00 0.00 N ATOM 0 H LYS A 10 0.255 8.210 4.929 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.374 7.516 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.300 9.678 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.227 10.383 6.736 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.037 9.593 8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.103 8.335 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.822 11.258 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.981 10.475 9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.094 10.089 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.283 8.624 8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.642 10.219 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.366 9.224 6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.087 10.870 6.509 1.00 0.00 H new ATOM 119 N GLN A 11 -2.952 9.056 4.667 1.00 0.00 N ATOM 120 CA GLN A 11 -4.271 9.445 4.181 1.00 0.00 C ATOM 121 C GLN A 11 -5.220 8.250 4.169 1.00 0.00 C ATOM 122 O GLN A 11 -6.414 8.391 4.433 1.00 0.00 O ATOM 123 CB GLN A 11 -4.165 10.041 2.776 1.00 0.00 C ATOM 124 CG GLN A 11 -3.672 9.054 1.731 1.00 0.00 C ATOM 125 CD GLN A 11 -3.647 9.645 0.335 1.00 0.00 C ATOM 126 OE1 GLN A 11 -4.405 9.044 -0.575 1.00 0.00 O flip ATOM 127 NE2 GLN A 11 -2.957 10.631 0.078 1.00 0.00 N flip ATOM 0 H GLN A 11 -2.211 9.116 3.969 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.673 10.199 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.143 10.417 2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.489 10.896 2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.670 8.719 1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.314 8.173 1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.390 11.061 0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.952 11.018 -0.866 1.00 0.00 H new ATOM 136 N LEU A 12 -4.680 7.075 3.860 1.00 0.00 N ATOM 137 CA LEU A 12 -5.479 5.856 3.815 1.00 0.00 C ATOM 138 C LEU A 12 -6.065 5.538 5.186 1.00 0.00 C ATOM 139 O LEU A 12 -5.379 5.635 6.204 1.00 0.00 O ATOM 140 CB LEU A 12 -4.627 4.683 3.322 1.00 0.00 C ATOM 141 CG LEU A 12 -4.804 4.328 1.845 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.907 3.162 1.466 1.00 0.00 C ATOM 143 CD2 LEU A 12 -6.261 4.001 1.549 1.00 0.00 C ATOM 0 H LEU A 12 -3.694 6.942 3.637 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.303 6.015 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.577 4.916 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.864 3.804 3.922 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.515 5.191 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.046 2.923 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.866 3.432 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.164 2.293 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.371 3.750 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.574 3.153 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.883 4.865 1.783 1.00 0.00 H new ATOM 155 N ALA A 13 -7.338 5.156 5.206 1.00 0.00 N ATOM 156 CA ALA A 13 -8.016 4.822 6.453 1.00 0.00 C ATOM 157 C ALA A 13 -7.662 3.411 6.909 1.00 0.00 C ATOM 158 O ALA A 13 -7.346 2.545 6.092 1.00 0.00 O ATOM 159 CB ALA A 13 -9.521 4.963 6.288 1.00 0.00 C ATOM 0 H ALA A 13 -7.920 5.070 4.373 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.678 5.519 7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.015 4.711 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.762 5.990 6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.866 4.289 5.504 1.00 0.00 H new ATOM 165 N GLU A 14 -7.715 3.186 8.217 1.00 0.00 N ATOM 166 CA GLU A 14 -7.399 1.879 8.781 1.00 0.00 C ATOM 167 C GLU A 14 -8.342 0.809 8.237 1.00 0.00 C ATOM 168 O GLU A 14 -7.931 -0.320 7.976 1.00 0.00 O ATOM 169 CB GLU A 14 -7.484 1.926 10.309 1.00 0.00 C ATOM 170 CG GLU A 14 -6.127 2.018 10.990 1.00 0.00 C ATOM 171 CD GLU A 14 -6.104 3.040 12.108 1.00 0.00 C ATOM 172 OE1 GLU A 14 -6.845 2.857 13.096 1.00 0.00 O ATOM 173 OE2 GLU A 14 -5.344 4.026 11.997 1.00 0.00 O ATOM 0 H GLU A 14 -7.974 3.892 8.907 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.381 1.620 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.089 2.783 10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.000 1.034 10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.859 1.040 11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.370 2.278 10.250 1.00 0.00 H new ATOM 180 N ASP A 15 -9.608 1.175 8.067 1.00 0.00 N ATOM 181 CA ASP A 15 -10.610 0.248 7.554 1.00 0.00 C ATOM 182 C ASP A 15 -10.241 -0.228 6.152 1.00 0.00 C ATOM 183 O ASP A 15 -10.552 -1.354 5.766 1.00 0.00 O ATOM 184 CB ASP A 15 -11.988 0.912 7.533 1.00 0.00 C ATOM 185 CG ASP A 15 -12.775 0.649 8.801 1.00 0.00 C ATOM 186 OD1 ASP A 15 -12.829 -0.521 9.235 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.340 1.613 9.360 1.00 0.00 O ATOM 0 H ASP A 15 -9.965 2.107 8.277 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.642 -0.617 8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.868 1.987 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.552 0.545 6.676 1.00 0.00 H new ATOM 192 N VAL A 16 -9.574 0.639 5.396 1.00 0.00 N ATOM 193 CA VAL A 16 -9.162 0.308 4.037 1.00 0.00 C ATOM 194 C VAL A 16 -8.049 -0.735 4.040 1.00 0.00 C ATOM 195 O VAL A 16 -8.169 -1.786 3.411 1.00 0.00 O ATOM 196 CB VAL A 16 -8.677 1.558 3.278 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.431 1.232 1.813 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.680 2.692 3.420 1.00 0.00 C ATOM 0 H VAL A 16 -9.308 1.575 5.702 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.037 -0.099 3.530 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.733 1.883 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.089 2.127 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.671 0.455 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.357 0.880 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.320 3.566 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.641 2.381 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.799 2.943 4.474 1.00 0.00 H new ATOM 208 N LYS A 17 -6.966 -0.434 4.749 1.00 0.00 N ATOM 209 CA LYS A 17 -5.830 -1.346 4.832 1.00 0.00 C ATOM 210 C LYS A 17 -6.212 -2.631 5.559 1.00 0.00 C ATOM 211 O LYS A 17 -5.655 -3.695 5.292 1.00 0.00 O ATOM 212 CB LYS A 17 -4.660 -0.669 5.549 1.00 0.00 C ATOM 213 CG LYS A 17 -4.168 0.591 4.854 1.00 0.00 C ATOM 214 CD LYS A 17 -4.299 1.813 5.751 1.00 0.00 C ATOM 215 CE LYS A 17 -3.107 2.743 5.604 1.00 0.00 C ATOM 216 NZ LYS A 17 -1.873 2.165 6.204 1.00 0.00 N ATOM 0 H LYS A 17 -6.851 0.433 5.274 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.528 -1.603 3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.963 -0.418 6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.835 -1.376 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.126 0.463 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.738 0.748 3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.214 2.351 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.388 1.495 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.935 2.948 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.330 3.697 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.176 2.921 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.106 1.716 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.473 1.454 5.559 1.00 0.00 H new ATOM 230 N LEU A 18 -7.165 -2.524 6.480 1.00 0.00 N ATOM 231 CA LEU A 18 -7.619 -3.680 7.246 1.00 0.00 C ATOM 232 C LEU A 18 -8.193 -4.753 6.326 1.00 0.00 C ATOM 233 O LEU A 18 -7.962 -5.945 6.527 1.00 0.00 O ATOM 234 CB LEU A 18 -8.672 -3.256 8.271 1.00 0.00 C ATOM 235 CG LEU A 18 -8.114 -2.771 9.611 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.198 -2.079 10.422 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.521 -3.934 10.392 1.00 0.00 C ATOM 0 H LEU A 18 -7.637 -1.651 6.714 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.759 -4.098 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.279 -2.460 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.337 -4.099 8.456 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.321 -2.049 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.782 -1.741 11.371 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.577 -1.221 9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.013 -2.778 10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.129 -3.572 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.295 -4.679 10.579 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.714 -4.386 9.815 1.00 0.00 H new ATOM 249 N GLN A 19 -8.943 -4.320 5.318 1.00 0.00 N ATOM 250 CA GLN A 19 -9.552 -5.244 4.367 1.00 0.00 C ATOM 251 C GLN A 19 -8.498 -5.873 3.464 1.00 0.00 C ATOM 252 O GLN A 19 -8.641 -7.015 3.028 1.00 0.00 O ATOM 253 CB GLN A 19 -10.599 -4.518 3.521 1.00 0.00 C ATOM 254 CG GLN A 19 -11.728 -3.912 4.339 1.00 0.00 C ATOM 255 CD GLN A 19 -12.585 -2.957 3.533 1.00 0.00 C ATOM 256 OE1 GLN A 19 -13.252 -3.358 2.578 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.572 -1.685 3.913 1.00 0.00 N ATOM 0 H GLN A 19 -9.144 -3.336 5.138 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.038 -6.039 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.110 -3.728 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.020 -5.218 2.799 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.355 -4.711 4.734 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.308 -3.383 5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.005 -1.397 4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.129 -0.996 3.408 1.00 0.00 H new ATOM 266 N LEU A 20 -7.437 -5.121 3.186 1.00 0.00 N ATOM 267 CA LEU A 20 -6.358 -5.607 2.334 1.00 0.00 C ATOM 268 C LEU A 20 -5.717 -6.857 2.926 1.00 0.00 C ATOM 269 O LEU A 20 -5.273 -7.744 2.197 1.00 0.00 O ATOM 270 CB LEU A 20 -5.301 -4.518 2.143 1.00 0.00 C ATOM 271 CG LEU A 20 -5.674 -3.421 1.144 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.803 -2.192 1.349 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.545 -3.935 -0.283 1.00 0.00 C ATOM 0 H LEU A 20 -7.302 -4.173 3.538 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.783 -5.865 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.100 -4.055 3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.373 -4.987 1.815 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.712 -3.137 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.083 -1.423 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.944 -1.811 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.756 -2.460 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.814 -3.142 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.517 -4.246 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.212 -4.785 -0.425 1.00 0.00 H new ATOM 285 N TYR A 21 -5.670 -6.922 4.253 1.00 0.00 N ATOM 286 CA TYR A 21 -5.083 -8.064 4.943 1.00 0.00 C ATOM 287 C TYR A 21 -5.854 -9.343 4.631 1.00 0.00 C ATOM 288 O TYR A 21 -5.261 -10.392 4.382 1.00 0.00 O ATOM 289 CB TYR A 21 -5.064 -7.821 6.453 1.00 0.00 C ATOM 290 CG TYR A 21 -4.344 -6.552 6.854 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.141 -6.196 6.259 1.00 0.00 C ATOM 292 CD2 TYR A 21 -4.870 -5.711 7.827 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.480 -5.038 6.624 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.215 -4.550 8.196 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.022 -4.219 7.592 1.00 0.00 C ATOM 296 OH TYR A 21 -2.367 -3.065 7.956 1.00 0.00 O ATOM 0 H TYR A 21 -6.032 -6.196 4.872 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.059 -8.183 4.589 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.090 -7.777 6.818 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.587 -8.670 6.943 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.715 -6.834 5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.805 -5.968 8.303 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.544 -4.776 6.153 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.637 -3.906 8.954 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.882 -2.601 8.649 1.00 0.00 H new ATOM 306 N LYS A 22 -7.180 -9.247 4.647 1.00 0.00 N ATOM 307 CA LYS A 22 -8.033 -10.396 4.365 1.00 0.00 C ATOM 308 C LYS A 22 -7.864 -10.860 2.922 1.00 0.00 C ATOM 309 O LYS A 22 -7.898 -12.056 2.636 1.00 0.00 O ATOM 310 CB LYS A 22 -9.498 -10.047 4.634 1.00 0.00 C ATOM 311 CG LYS A 22 -9.794 -9.745 6.094 1.00 0.00 C ATOM 312 CD LYS A 22 -11.144 -9.064 6.260 1.00 0.00 C ATOM 313 CE LYS A 22 -11.065 -7.895 7.231 1.00 0.00 C ATOM 314 NZ LYS A 22 -12.114 -7.977 8.286 1.00 0.00 N ATOM 0 H LYS A 22 -7.687 -8.386 4.852 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.733 -11.210 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.774 -9.183 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.126 -10.876 4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.780 -10.671 6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.010 -9.106 6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.495 -8.710 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.876 -9.788 6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.081 -7.877 7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.174 -6.959 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.026 -7.163 8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.054 -7.968 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.995 -8.857 8.827 1.00 0.00 H new ATOM 328 N LEU A 23 -7.682 -9.904 2.017 1.00 0.00 N ATOM 329 CA LEU A 23 -7.508 -10.214 0.603 1.00 0.00 C ATOM 330 C LEU A 23 -6.200 -10.963 0.367 1.00 0.00 C ATOM 331 O LEU A 23 -6.184 -12.022 -0.259 1.00 0.00 O ATOM 332 CB LEU A 23 -7.531 -8.930 -0.229 1.00 0.00 C ATOM 333 CG LEU A 23 -8.918 -8.316 -0.432 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.840 -6.797 -0.408 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.527 -8.800 -1.739 1.00 0.00 C ATOM 0 H LEU A 23 -7.651 -8.909 2.238 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.334 -10.854 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.890 -8.191 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.097 -9.140 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.560 -8.638 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.836 -6.379 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.446 -6.468 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.182 -6.454 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.513 -8.354 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.885 -8.508 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.620 -9.886 -1.717 1.00 0.00 H new ATOM 347 N LEU A 24 -5.106 -10.404 0.874 1.00 0.00 N ATOM 348 CA LEU A 24 -3.792 -11.019 0.719 1.00 0.00 C ATOM 349 C LEU A 24 -3.722 -12.351 1.459 1.00 0.00 C ATOM 350 O LEU A 24 -2.982 -13.253 1.065 1.00 0.00 O ATOM 351 CB LEU A 24 -2.702 -10.076 1.236 1.00 0.00 C ATOM 352 CG LEU A 24 -2.728 -8.669 0.639 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.913 -7.711 1.494 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.206 -8.688 -0.790 1.00 0.00 C ATOM 0 H LEU A 24 -5.103 -9.527 1.395 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.629 -11.206 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.795 -9.997 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.729 -10.523 1.032 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.760 -8.320 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.943 -6.714 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.331 -7.676 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.880 -8.055 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.231 -7.678 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.180 -9.057 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.832 -9.342 -1.397 1.00 0.00 H new ATOM 366 N GLU A 25 -4.496 -12.467 2.534 1.00 0.00 N ATOM 367 CA GLU A 25 -4.521 -13.689 3.329 1.00 0.00 C ATOM 368 C GLU A 25 -4.920 -14.892 2.478 1.00 0.00 C ATOM 369 O GLU A 25 -4.544 -16.025 2.775 1.00 0.00 O ATOM 370 CB GLU A 25 -5.490 -13.535 4.505 1.00 0.00 C ATOM 371 CG GLU A 25 -4.838 -13.746 5.862 1.00 0.00 C ATOM 372 CD GLU A 25 -5.143 -15.111 6.448 1.00 0.00 C ATOM 373 OE1 GLU A 25 -6.338 -15.431 6.619 1.00 0.00 O ATOM 374 OE2 GLU A 25 -4.185 -15.859 6.737 1.00 0.00 O ATOM 0 H GLU A 25 -5.114 -11.730 2.874 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.516 -13.862 3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.931 -12.539 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.306 -14.248 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.759 -13.629 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.182 -12.974 6.550 1.00 0.00 H new ATOM 381 N ILE A 26 -5.681 -14.637 1.417 1.00 0.00 N ATOM 382 CA ILE A 26 -6.127 -15.701 0.527 1.00 0.00 C ATOM 383 C ILE A 26 -4.936 -16.407 -0.123 1.00 0.00 C ATOM 384 O ILE A 26 -4.074 -15.760 -0.718 1.00 0.00 O ATOM 385 CB ILE A 26 -7.056 -15.157 -0.579 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.221 -14.381 0.039 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.575 -16.295 -1.447 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.848 -13.379 -0.908 1.00 0.00 C ATOM 0 H ILE A 26 -6.000 -13.705 1.154 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.682 -16.414 1.137 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.483 -14.478 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.984 -15.087 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.868 -13.858 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.228 -15.893 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.735 -16.810 -1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.134 -16.998 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.667 -12.865 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.098 -12.651 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.231 -13.899 -1.786 1.00 0.00 H new ATOM 400 N PRO A 27 -4.870 -17.747 -0.020 1.00 0.00 N ATOM 401 CA PRO A 27 -3.776 -18.529 -0.602 1.00 0.00 C ATOM 402 C PRO A 27 -3.908 -18.672 -2.116 1.00 0.00 C ATOM 403 O PRO A 27 -4.015 -19.780 -2.638 1.00 0.00 O ATOM 404 CB PRO A 27 -3.920 -19.889 0.080 1.00 0.00 C ATOM 405 CG PRO A 27 -5.375 -20.003 0.377 1.00 0.00 C ATOM 406 CD PRO A 27 -5.853 -18.606 0.672 1.00 0.00 C ATOM 0 HA PRO A 27 -2.805 -18.058 -0.447 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.583 -20.697 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.323 -19.942 0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.913 -20.428 -0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.548 -20.662 1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.863 -18.441 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.874 -18.408 1.744 1.00 0.00 H new ATOM 414 N ASP A 28 -3.899 -17.540 -2.814 1.00 0.00 N ATOM 415 CA ASP A 28 -4.017 -17.539 -4.267 1.00 0.00 C ATOM 416 C ASP A 28 -2.738 -17.020 -4.919 1.00 0.00 C ATOM 417 O ASP A 28 -2.076 -16.132 -4.382 1.00 0.00 O ATOM 418 CB ASP A 28 -5.209 -16.683 -4.701 1.00 0.00 C ATOM 419 CG ASP A 28 -6.479 -17.496 -4.856 1.00 0.00 C ATOM 420 OD1 ASP A 28 -6.572 -18.576 -4.237 1.00 0.00 O ATOM 421 OD2 ASP A 28 -7.381 -17.051 -5.596 1.00 0.00 O ATOM 0 H ASP A 28 -3.811 -16.613 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.177 -18.566 -4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.373 -15.895 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.976 -16.194 -5.647 1.00 0.00 H new ATOM 426 N PRO A 29 -2.370 -17.568 -6.091 1.00 0.00 N ATOM 427 CA PRO A 29 -1.163 -17.153 -6.812 1.00 0.00 C ATOM 428 C PRO A 29 -1.111 -15.645 -7.035 1.00 0.00 C ATOM 429 O PRO A 29 -0.133 -14.988 -6.677 1.00 0.00 O ATOM 430 CB PRO A 29 -1.276 -17.886 -8.151 1.00 0.00 C ATOM 431 CG PRO A 29 -2.131 -19.071 -7.864 1.00 0.00 C ATOM 432 CD PRO A 29 -3.101 -18.634 -6.804 1.00 0.00 C ATOM 0 HA PRO A 29 -0.256 -17.391 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.725 -17.250 -8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.296 -18.186 -8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.655 -19.400 -8.761 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.529 -19.912 -7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.030 -18.264 -7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.365 -19.455 -6.138 1.00 0.00 H new ATOM 440 N ASP A 30 -2.170 -15.102 -7.627 1.00 0.00 N ATOM 441 CA ASP A 30 -2.244 -13.672 -7.898 1.00 0.00 C ATOM 442 C ASP A 30 -3.135 -12.969 -6.878 1.00 0.00 C ATOM 443 O ASP A 30 -3.904 -12.071 -7.224 1.00 0.00 O ATOM 444 CB ASP A 30 -2.774 -13.427 -9.312 1.00 0.00 C ATOM 445 CG ASP A 30 -1.675 -13.461 -10.355 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.547 -13.025 -10.045 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.943 -13.925 -11.484 1.00 0.00 O ATOM 0 H ASP A 30 -2.988 -15.631 -7.928 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.238 -13.260 -7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.523 -14.182 -9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.274 -12.459 -9.347 1.00 0.00 H new ATOM 452 N LYS A 31 -3.026 -13.384 -5.621 1.00 0.00 N ATOM 453 CA LYS A 31 -3.821 -12.793 -4.550 1.00 0.00 C ATOM 454 C LYS A 31 -3.259 -13.170 -3.182 1.00 0.00 C ATOM 455 O LYS A 31 -4.004 -13.331 -2.216 1.00 0.00 O ATOM 456 CB LYS A 31 -5.279 -13.247 -4.660 1.00 0.00 C ATOM 457 CG LYS A 31 -6.146 -12.314 -5.489 1.00 0.00 C ATOM 458 CD LYS A 31 -7.620 -12.484 -5.159 1.00 0.00 C ATOM 459 CE LYS A 31 -8.479 -11.485 -5.917 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.932 -11.714 -5.687 1.00 0.00 N ATOM 0 H LYS A 31 -2.396 -14.127 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.776 -11.709 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.308 -14.244 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.702 -13.329 -3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.848 -11.281 -5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.984 -12.511 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.935 -13.498 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.771 -12.356 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.218 -10.473 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.265 -11.557 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.483 -11.012 -6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.187 -12.670 -6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.142 -11.620 -4.673 1.00 0.00 H new ATOM 474 N ASN A 32 -1.939 -13.307 -3.110 1.00 0.00 N ATOM 475 CA ASN A 32 -1.276 -13.663 -1.860 1.00 0.00 C ATOM 476 C ASN A 32 -0.466 -12.489 -1.321 1.00 0.00 C ATOM 477 O ASN A 32 -0.075 -11.595 -2.072 1.00 0.00 O ATOM 478 CB ASN A 32 -0.365 -14.874 -2.069 1.00 0.00 C ATOM 479 CG ASN A 32 0.242 -15.371 -0.772 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.460 -15.494 -0.649 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.610 -15.662 0.206 1.00 0.00 N ATOM 0 H ASN A 32 -1.308 -13.177 -3.901 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.044 -13.917 -1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.936 -15.679 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.433 -14.609 -2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.261 -16.002 1.102 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.613 -15.545 0.060 1.00 0.00 H new ATOM 488 N TRP A 33 -0.216 -12.500 -0.016 1.00 0.00 N ATOM 489 CA TRP A 33 0.549 -11.436 0.625 1.00 0.00 C ATOM 490 C TRP A 33 2.012 -11.486 0.199 1.00 0.00 C ATOM 491 O TRP A 33 2.668 -10.452 0.069 1.00 0.00 O ATOM 492 CB TRP A 33 0.443 -11.548 2.146 1.00 0.00 C ATOM 493 CG TRP A 33 0.788 -12.910 2.667 1.00 0.00 C ATOM 494 CD1 TRP A 33 -0.079 -13.931 2.927 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.095 -13.398 2.994 1.00 0.00 C ATOM 496 NE1 TRP A 33 0.607 -15.026 3.395 1.00 0.00 N ATOM 497 CE2 TRP A 33 1.943 -14.723 3.445 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.377 -12.845 2.948 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.026 -15.502 3.846 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.451 -13.619 3.347 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.269 -14.935 3.791 1.00 0.00 C ATOM 0 H TRP A 33 -0.532 -13.234 0.619 1.00 0.00 H new ATOM 0 HA TRP A 33 0.130 -10.480 0.309 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.105 -10.813 2.604 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.573 -11.296 2.452 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -1.149 -13.885 2.786 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.190 -15.918 3.661 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.527 -11.831 2.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.889 -16.517 4.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.447 -13.202 3.316 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.128 -15.514 4.096 1.00 0.00 H new ATOM 512 N ALA A 34 2.520 -12.695 -0.017 1.00 0.00 N ATOM 513 CA ALA A 34 3.906 -12.879 -0.427 1.00 0.00 C ATOM 514 C ALA A 34 4.151 -12.291 -1.813 1.00 0.00 C ATOM 515 O ALA A 34 5.206 -11.715 -2.076 1.00 0.00 O ATOM 516 CB ALA A 34 4.270 -14.356 -0.408 1.00 0.00 C ATOM 0 H ALA A 34 1.992 -13.562 0.085 1.00 0.00 H new ATOM 0 HA ALA A 34 4.542 -12.349 0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.308 -14.479 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.142 -14.749 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.621 -14.900 -1.094 1.00 0.00 H new ATOM 522 N THR A 35 3.169 -12.439 -2.695 1.00 0.00 N ATOM 523 CA THR A 35 3.277 -11.922 -4.054 1.00 0.00 C ATOM 524 C THR A 35 3.350 -10.398 -4.051 1.00 0.00 C ATOM 525 O THR A 35 4.109 -9.802 -4.816 1.00 0.00 O ATOM 526 CB THR A 35 2.087 -12.385 -4.896 1.00 0.00 C ATOM 527 OG1 THR A 35 1.573 -13.611 -4.406 1.00 0.00 O ATOM 528 CG2 THR A 35 2.428 -12.582 -6.357 1.00 0.00 C ATOM 0 H THR A 35 2.289 -12.913 -2.493 1.00 0.00 H new ATOM 0 HA THR A 35 4.196 -12.312 -4.492 1.00 0.00 H new ATOM 0 HB THR A 35 1.349 -11.587 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.054 -14.053 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.540 -12.910 -6.897 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.781 -11.641 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.209 -13.337 -6.450 1.00 0.00 H new ATOM 536 N LEU A 36 2.557 -9.773 -3.186 1.00 0.00 N ATOM 537 CA LEU A 36 2.532 -8.320 -3.085 1.00 0.00 C ATOM 538 C LEU A 36 3.871 -7.786 -2.586 1.00 0.00 C ATOM 539 O LEU A 36 4.285 -6.684 -2.947 1.00 0.00 O ATOM 540 CB LEU A 36 1.411 -7.871 -2.146 1.00 0.00 C ATOM 541 CG LEU A 36 1.142 -6.366 -2.131 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.552 -5.916 -3.458 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.214 -6.002 -0.981 1.00 0.00 C ATOM 0 H LEU A 36 1.924 -10.251 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 36 2.347 -7.916 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.493 -8.386 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.656 -8.191 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 36 2.090 -5.848 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.367 -4.842 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.252 -6.142 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.387 -6.441 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.033 -4.927 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.733 -6.530 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.676 -6.288 -0.036 1.00 0.00 H new ATOM 555 N ALA A 37 4.545 -8.575 -1.756 1.00 0.00 N ATOM 556 CA ALA A 37 5.838 -8.182 -1.207 1.00 0.00 C ATOM 557 C ALA A 37 6.858 -7.957 -2.317 1.00 0.00 C ATOM 558 O ALA A 37 7.694 -7.058 -2.232 1.00 0.00 O ATOM 559 CB ALA A 37 6.339 -9.235 -0.232 1.00 0.00 C ATOM 0 H ALA A 37 4.217 -9.491 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 37 5.708 -7.241 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.305 -8.929 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.625 -9.345 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.447 -10.188 -0.750 1.00 0.00 H new ATOM 565 N GLN A 38 6.784 -8.781 -3.358 1.00 0.00 N ATOM 566 CA GLN A 38 7.703 -8.670 -4.485 1.00 0.00 C ATOM 567 C GLN A 38 7.429 -7.403 -5.288 1.00 0.00 C ATOM 568 O GLN A 38 8.351 -6.664 -5.633 1.00 0.00 O ATOM 569 CB GLN A 38 7.581 -9.898 -5.390 1.00 0.00 C ATOM 570 CG GLN A 38 8.268 -11.135 -4.834 1.00 0.00 C ATOM 571 CD GLN A 38 7.762 -12.417 -5.466 1.00 0.00 C ATOM 572 OE1 GLN A 38 7.049 -12.389 -6.469 1.00 0.00 O ATOM 573 NE2 GLN A 38 8.129 -13.550 -4.880 1.00 0.00 N ATOM 0 H GLN A 38 6.098 -9.531 -3.444 1.00 0.00 H new ATOM 0 HA GLN A 38 8.718 -8.616 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.525 -10.119 -5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.007 -9.664 -6.366 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.343 -11.053 -4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.112 -11.179 -3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.721 -13.526 -4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.819 -14.444 -5.260 1.00 0.00 H new ATOM 582 N LYS A 39 6.157 -7.159 -5.583 1.00 0.00 N ATOM 583 CA LYS A 39 5.762 -5.981 -6.346 1.00 0.00 C ATOM 584 C LYS A 39 6.085 -4.702 -5.579 1.00 0.00 C ATOM 585 O LYS A 39 6.717 -3.790 -6.112 1.00 0.00 O ATOM 586 CB LYS A 39 4.267 -6.032 -6.667 1.00 0.00 C ATOM 587 CG LYS A 39 3.950 -6.737 -7.975 1.00 0.00 C ATOM 588 CD LYS A 39 4.196 -8.234 -7.876 1.00 0.00 C ATOM 589 CE LYS A 39 4.345 -8.866 -9.250 1.00 0.00 C ATOM 590 NZ LYS A 39 5.637 -8.498 -9.894 1.00 0.00 N ATOM 0 H LYS A 39 5.382 -7.761 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 39 6.327 -5.977 -7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.747 -6.540 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.878 -5.015 -6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.910 -6.555 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.564 -6.319 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.097 -8.418 -7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.369 -8.705 -7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.280 -9.950 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.519 -8.549 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.835 -9.155 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.577 -7.528 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.403 -8.554 -9.193 1.00 0.00 H new ATOM 604 N LEU A 40 5.648 -4.644 -4.325 1.00 0.00 N ATOM 605 CA LEU A 40 5.892 -3.477 -3.484 1.00 0.00 C ATOM 606 C LEU A 40 7.387 -3.239 -3.304 1.00 0.00 C ATOM 607 O LEU A 40 7.949 -2.302 -3.873 1.00 0.00 O ATOM 608 CB LEU A 40 5.225 -3.659 -2.119 1.00 0.00 C ATOM 609 CG LEU A 40 3.696 -3.634 -2.137 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.143 -3.841 -0.735 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.192 -2.325 -2.724 1.00 0.00 C ATOM 0 H LEU A 40 5.124 -5.391 -3.869 1.00 0.00 H new ATOM 0 HA LEU A 40 5.461 -2.607 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.553 -4.608 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.578 -2.873 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 40 3.345 -4.451 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.054 -3.820 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.477 -4.805 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.502 -3.046 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.102 -2.324 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.553 -1.493 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.560 -2.218 -3.745 1.00 0.00 H new ATOM 623 N GLY A 41 8.027 -4.092 -2.512 1.00 0.00 N ATOM 624 CA GLY A 41 9.452 -3.957 -2.271 1.00 0.00 C ATOM 625 C GLY A 41 9.872 -4.535 -0.935 1.00 0.00 C ATOM 626 O GLY A 41 10.646 -3.921 -0.201 1.00 0.00 O ATOM 0 H GLY A 41 7.584 -4.875 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.001 -4.458 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.725 -2.903 -2.309 1.00 0.00 H new ATOM 630 N LEU A 42 9.361 -5.720 -0.618 1.00 0.00 N ATOM 631 CA LEU A 42 9.688 -6.382 0.640 1.00 0.00 C ATOM 632 C LEU A 42 9.893 -7.879 0.430 1.00 0.00 C ATOM 633 O LEU A 42 9.614 -8.684 1.319 1.00 0.00 O ATOM 634 CB LEU A 42 8.579 -6.146 1.668 1.00 0.00 C ATOM 635 CG LEU A 42 8.298 -4.678 1.991 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.924 -4.526 2.624 1.00 0.00 C ATOM 637 CD2 LEU A 42 9.375 -4.119 2.908 1.00 0.00 C ATOM 0 H LEU A 42 8.719 -6.242 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 42 10.618 -5.956 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.661 -6.604 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.845 -6.661 2.591 1.00 0.00 H new ATOM 0 HG LEU A 42 8.312 -4.111 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.741 -3.475 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.163 -4.888 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.882 -5.106 3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.159 -3.073 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.393 -4.689 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.345 -4.194 2.417 1.00 0.00 H new ATOM 649 N GLY A 43 10.382 -8.244 -0.750 1.00 0.00 N ATOM 650 CA GLY A 43 10.616 -9.643 -1.055 1.00 0.00 C ATOM 651 C GLY A 43 11.690 -10.256 -0.179 1.00 0.00 C ATOM 652 O GLY A 43 11.671 -11.457 0.090 1.00 0.00 O ATOM 0 H GLY A 43 10.621 -7.596 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.687 -10.199 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.906 -9.740 -2.101 1.00 0.00 H new ATOM 656 N ILE A 44 12.629 -9.430 0.268 1.00 0.00 N ATOM 657 CA ILE A 44 13.716 -9.895 1.119 1.00 0.00 C ATOM 658 C ILE A 44 13.226 -10.163 2.539 1.00 0.00 C ATOM 659 O ILE A 44 13.745 -11.040 3.231 1.00 0.00 O ATOM 660 CB ILE A 44 14.872 -8.875 1.166 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.044 -9.429 1.979 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.392 -7.553 1.746 1.00 0.00 C ATOM 663 CD1 ILE A 44 16.714 -10.625 1.338 1.00 0.00 C ATOM 0 H ILE A 44 12.659 -8.433 0.054 1.00 0.00 H new ATOM 0 HA ILE A 44 14.083 -10.824 0.684 1.00 0.00 H new ATOM 0 HB ILE A 44 15.217 -8.697 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.783 -8.640 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.687 -9.711 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.220 -6.845 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.591 -7.152 1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.020 -7.713 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 44 17.535 -10.964 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.988 -11.430 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.102 -10.343 0.359 1.00 0.00 H new ATOM 675 N LEU A 45 12.223 -9.403 2.967 1.00 0.00 N ATOM 676 CA LEU A 45 11.664 -9.559 4.305 1.00 0.00 C ATOM 677 C LEU A 45 10.385 -10.391 4.268 1.00 0.00 C ATOM 678 O LEU A 45 9.506 -10.230 5.115 1.00 0.00 O ATOM 679 CB LEU A 45 11.375 -8.190 4.921 1.00 0.00 C ATOM 680 CG LEU A 45 12.603 -7.300 5.128 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.226 -5.832 5.003 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.238 -7.576 6.483 1.00 0.00 C ATOM 0 H LEU A 45 11.781 -8.674 2.407 1.00 0.00 H new ATOM 0 HA LEU A 45 12.398 -10.080 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.667 -7.663 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.886 -8.338 5.884 1.00 0.00 H new ATOM 0 HG LEU A 45 13.332 -7.533 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.112 -5.215 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.817 -5.645 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.478 -5.583 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.110 -6.935 6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.515 -7.371 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.545 -8.621 6.535 1.00 0.00 H new ATOM 694 N ASN A 46 10.287 -11.280 3.285 1.00 0.00 N ATOM 695 CA ASN A 46 9.116 -12.136 3.142 1.00 0.00 C ATOM 696 C ASN A 46 9.113 -13.236 4.198 1.00 0.00 C ATOM 697 O ASN A 46 8.057 -13.654 4.672 1.00 0.00 O ATOM 698 CB ASN A 46 9.076 -12.752 1.742 1.00 0.00 C ATOM 699 CG ASN A 46 8.063 -12.072 0.840 1.00 0.00 C ATOM 700 OD1 ASN A 46 7.109 -11.455 1.314 1.00 0.00 O ATOM 701 ND2 ASN A 46 8.265 -12.184 -0.468 1.00 0.00 N ATOM 0 H ASN A 46 11.005 -11.426 2.575 1.00 0.00 H new ATOM 0 HA ASN A 46 8.227 -11.521 3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.065 -12.683 1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.834 -13.812 1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.616 -11.749 -1.123 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.069 -12.705 -0.817 1.00 0.00 H new ATOM 708 N ASN A 47 10.304 -13.702 4.563 1.00 0.00 N ATOM 709 CA ASN A 47 10.439 -14.754 5.563 1.00 0.00 C ATOM 710 C ASN A 47 10.064 -14.238 6.949 1.00 0.00 C ATOM 711 O ASN A 47 9.575 -14.990 7.791 1.00 0.00 O ATOM 712 CB ASN A 47 11.870 -15.294 5.576 1.00 0.00 C ATOM 713 CG ASN A 47 12.043 -16.453 6.539 1.00 0.00 C ATOM 714 OD1 ASN A 47 11.195 -17.341 6.617 1.00 0.00 O ATOM 715 ND2 ASN A 47 13.145 -16.447 7.279 1.00 0.00 N ATOM 0 H ASN A 47 11.188 -13.367 4.181 1.00 0.00 H new ATOM 0 HA ASN A 47 9.756 -15.562 5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.143 -15.617 4.571 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.555 -14.492 5.850 1.00 0.00 H new ATOM 0 HD21 ASN A 47 13.316 -17.200 7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.821 -15.690 7.181 1.00 0.00 H new ATOM 722 N ALA A 48 10.300 -12.950 7.180 1.00 0.00 N ATOM 723 CA ALA A 48 9.988 -12.334 8.463 1.00 0.00 C ATOM 724 C ALA A 48 8.481 -12.217 8.667 1.00 0.00 C ATOM 725 O ALA A 48 7.992 -12.263 9.796 1.00 0.00 O ATOM 726 CB ALA A 48 10.644 -10.965 8.564 1.00 0.00 C ATOM 0 H ALA A 48 10.706 -12.313 6.494 1.00 0.00 H new ATOM 0 HA ALA A 48 10.385 -12.975 9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.403 -10.516 9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.725 -11.072 8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.275 -10.325 7.763 1.00 0.00 H new ATOM 732 N PHE A 49 7.750 -12.065 7.568 1.00 0.00 N ATOM 733 CA PHE A 49 6.298 -11.940 7.627 1.00 0.00 C ATOM 734 C PHE A 49 5.638 -13.311 7.738 1.00 0.00 C ATOM 735 O PHE A 49 4.675 -13.488 8.484 1.00 0.00 O ATOM 736 CB PHE A 49 5.775 -11.208 6.391 1.00 0.00 C ATOM 737 CG PHE A 49 6.498 -9.922 6.102 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.812 -9.043 7.127 1.00 0.00 C ATOM 739 CD2 PHE A 49 6.862 -9.592 4.806 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.477 -7.860 6.864 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.526 -8.411 4.537 1.00 0.00 C ATOM 742 CZ PHE A 49 7.835 -7.544 5.567 1.00 0.00 C ATOM 0 H PHE A 49 8.139 -12.025 6.626 1.00 0.00 H new ATOM 0 HA PHE A 49 6.045 -11.361 8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.861 -11.866 5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.714 -10.996 6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.534 -9.285 8.142 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.624 -10.266 3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.717 -7.183 7.671 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.803 -8.166 3.522 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.355 -6.621 5.359 1.00 0.00 H new ATOM 752 N ARG A 50 6.161 -14.277 6.990 1.00 0.00 N ATOM 753 CA ARG A 50 5.620 -15.632 7.004 1.00 0.00 C ATOM 754 C ARG A 50 5.670 -16.224 8.409 1.00 0.00 C ATOM 755 O ARG A 50 4.797 -17.001 8.796 1.00 0.00 O ATOM 756 CB ARG A 50 6.397 -16.524 6.034 1.00 0.00 C ATOM 757 CG ARG A 50 5.573 -17.668 5.468 1.00 0.00 C ATOM 758 CD ARG A 50 6.274 -18.334 4.295 1.00 0.00 C ATOM 759 NE ARG A 50 7.607 -18.811 4.653 1.00 0.00 N ATOM 760 CZ ARG A 50 8.280 -19.724 3.956 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.749 -20.259 2.864 1.00 0.00 N ATOM 762 NH2 ARG A 50 9.487 -20.102 4.352 1.00 0.00 N ATOM 0 H ARG A 50 6.958 -14.147 6.367 1.00 0.00 H new ATOM 0 HA ARG A 50 4.578 -15.583 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.770 -15.914 5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.267 -16.933 6.547 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.388 -18.406 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.601 -17.293 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.672 -19.171 3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.352 -17.626 3.470 1.00 0.00 H new ATOM 0 HE ARG A 50 8.048 -18.422 5.486 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.821 -19.971 2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.269 -20.958 2.334 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.900 -19.693 5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.003 -20.802 3.818 1.00 0.00 H new ATOM 776 N LEU A 51 6.696 -15.852 9.167 1.00 0.00 N ATOM 777 CA LEU A 51 6.859 -16.347 10.529 1.00 0.00 C ATOM 778 C LEU A 51 5.879 -15.663 11.477 1.00 0.00 C ATOM 779 O LEU A 51 5.429 -16.258 12.456 1.00 0.00 O ATOM 780 CB LEU A 51 8.294 -16.120 11.008 1.00 0.00 C ATOM 781 CG LEU A 51 9.355 -16.962 10.297 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.728 -16.709 10.900 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.001 -18.439 10.374 1.00 0.00 C ATOM 0 H LEU A 51 7.427 -15.210 8.861 1.00 0.00 H new ATOM 0 HA LEU A 51 6.649 -17.417 10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.542 -15.066 10.879 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.342 -16.330 12.077 1.00 0.00 H new ATOM 0 HG LEU A 51 9.382 -16.669 9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.470 -17.316 10.382 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.983 -15.655 10.794 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.716 -16.975 11.957 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.766 -19.024 9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.947 -18.746 11.418 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.036 -18.607 9.896 1.00 0.00 H new ATOM 795 N SER A 52 5.552 -14.411 11.177 1.00 0.00 N ATOM 796 CA SER A 52 4.624 -13.646 12.003 1.00 0.00 C ATOM 797 C SER A 52 3.219 -14.241 11.937 1.00 0.00 C ATOM 798 O SER A 52 2.903 -15.006 11.025 1.00 0.00 O ATOM 799 CB SER A 52 4.593 -12.184 11.552 1.00 0.00 C ATOM 800 OG SER A 52 5.585 -11.423 12.219 1.00 0.00 O ATOM 0 H SER A 52 5.915 -13.904 10.369 1.00 0.00 H new ATOM 0 HA SER A 52 4.971 -13.693 13.035 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.751 -12.129 10.475 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.609 -11.759 11.752 1.00 0.00 H new ATOM 0 HG SER A 52 5.545 -10.493 11.912 1.00 0.00 H new ATOM 806 N PRO A 53 2.355 -13.894 12.905 1.00 0.00 N ATOM 807 CA PRO A 53 0.978 -14.398 12.950 1.00 0.00 C ATOM 808 C PRO A 53 0.139 -13.893 11.780 1.00 0.00 C ATOM 809 O PRO A 53 -0.809 -14.552 11.354 1.00 0.00 O ATOM 810 CB PRO A 53 0.434 -13.848 14.273 1.00 0.00 C ATOM 811 CG PRO A 53 1.286 -12.665 14.575 1.00 0.00 C ATOM 812 CD PRO A 53 2.648 -12.985 14.028 1.00 0.00 C ATOM 0 HA PRO A 53 0.942 -15.485 12.881 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.615 -13.567 14.182 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.497 -14.593 15.066 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.882 -11.765 14.113 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.330 -12.480 15.648 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.169 -12.088 13.694 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.281 -13.461 14.777 1.00 0.00 H new ATOM 820 N ALA A 54 0.495 -12.721 11.265 1.00 0.00 N ATOM 821 CA ALA A 54 -0.224 -12.129 10.144 1.00 0.00 C ATOM 822 C ALA A 54 0.742 -11.513 9.135 1.00 0.00 C ATOM 823 O ALA A 54 1.018 -10.314 9.180 1.00 0.00 O ATOM 824 CB ALA A 54 -1.211 -11.084 10.642 1.00 0.00 C ATOM 0 H ALA A 54 1.277 -12.163 11.606 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.777 -12.921 9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.741 -10.650 9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.928 -11.553 11.316 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.673 -10.299 11.173 1.00 0.00 H new ATOM 830 N PRO A 55 1.270 -12.330 8.209 1.00 0.00 N ATOM 831 CA PRO A 55 2.210 -11.862 7.185 1.00 0.00 C ATOM 832 C PRO A 55 1.676 -10.659 6.415 1.00 0.00 C ATOM 833 O PRO A 55 2.425 -9.735 6.093 1.00 0.00 O ATOM 834 CB PRO A 55 2.354 -13.069 6.255 1.00 0.00 C ATOM 835 CG PRO A 55 2.027 -14.246 7.106 1.00 0.00 C ATOM 836 CD PRO A 55 0.991 -13.774 8.087 1.00 0.00 C ATOM 0 HA PRO A 55 3.152 -11.527 7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.677 -12.996 5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.365 -13.140 5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.646 -15.070 6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.914 -14.613 7.622 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.020 -13.959 7.724 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.084 -14.284 9.046 1.00 0.00 H new ATOM 844 N SER A 56 0.381 -10.676 6.123 1.00 0.00 N ATOM 845 CA SER A 56 -0.253 -9.586 5.389 1.00 0.00 C ATOM 846 C SER A 56 -0.323 -8.323 6.243 1.00 0.00 C ATOM 847 O SER A 56 -0.263 -7.208 5.725 1.00 0.00 O ATOM 848 CB SER A 56 -1.658 -9.993 4.944 1.00 0.00 C ATOM 849 OG SER A 56 -2.213 -10.957 5.822 1.00 0.00 O ATOM 0 H SER A 56 -0.252 -11.433 6.383 1.00 0.00 H new ATOM 0 HA SER A 56 0.353 -9.374 4.508 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.301 -9.114 4.911 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.619 -10.398 3.933 1.00 0.00 H new ATOM 0 HG SER A 56 -3.112 -11.199 5.516 1.00 0.00 H new ATOM 855 N LYS A 57 -0.452 -8.506 7.552 1.00 0.00 N ATOM 856 CA LYS A 57 -0.531 -7.381 8.477 1.00 0.00 C ATOM 857 C LYS A 57 0.851 -6.791 8.737 1.00 0.00 C ATOM 858 O LYS A 57 0.989 -5.594 8.985 1.00 0.00 O ATOM 859 CB LYS A 57 -1.166 -7.823 9.797 1.00 0.00 C ATOM 860 CG LYS A 57 -2.037 -6.756 10.440 1.00 0.00 C ATOM 861 CD LYS A 57 -3.285 -7.358 11.066 1.00 0.00 C ATOM 862 CE LYS A 57 -4.425 -6.353 11.113 1.00 0.00 C ATOM 863 NZ LYS A 57 -5.226 -6.478 12.361 1.00 0.00 N ATOM 0 H LYS A 57 -0.504 -9.422 7.997 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.154 -6.612 8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.768 -8.714 9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.377 -8.105 10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.464 -6.228 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.324 -6.019 9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.594 -8.234 10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.058 -7.700 12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.021 -5.343 11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.074 -6.500 10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.993 -5.775 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.633 -7.433 12.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.613 -6.313 13.185 1.00 0.00 H new ATOM 877 N THR A 58 1.872 -7.640 8.680 1.00 0.00 N ATOM 878 CA THR A 58 3.244 -7.202 8.909 1.00 0.00 C ATOM 879 C THR A 58 3.801 -6.482 7.684 1.00 0.00 C ATOM 880 O THR A 58 4.664 -5.612 7.803 1.00 0.00 O ATOM 881 CB THR A 58 4.131 -8.399 9.258 1.00 0.00 C ATOM 882 OG1 THR A 58 3.392 -9.383 9.959 1.00 0.00 O ATOM 883 CG2 THR A 58 5.326 -8.030 10.109 1.00 0.00 C ATOM 0 H THR A 58 1.775 -8.635 8.477 1.00 0.00 H new ATOM 0 HA THR A 58 3.240 -6.503 9.746 1.00 0.00 H new ATOM 0 HB THR A 58 4.490 -8.781 8.302 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.793 -9.847 9.337 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.912 -8.924 10.320 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.944 -7.308 9.575 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.984 -7.591 11.046 1.00 0.00 H new ATOM 891 N LEU A 59 3.303 -6.851 6.508 1.00 0.00 N ATOM 892 CA LEU A 59 3.752 -6.241 5.262 1.00 0.00 C ATOM 893 C LEU A 59 3.513 -4.734 5.273 1.00 0.00 C ATOM 894 O LEU A 59 4.437 -3.948 5.068 1.00 0.00 O ATOM 895 CB LEU A 59 3.029 -6.875 4.072 1.00 0.00 C ATOM 896 CG LEU A 59 3.785 -6.805 2.744 1.00 0.00 C ATOM 897 CD1 LEU A 59 4.909 -7.827 2.715 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.833 -7.025 1.578 1.00 0.00 C ATOM 0 H LEU A 59 2.588 -7.570 6.392 1.00 0.00 H new ATOM 0 HA LEU A 59 4.823 -6.418 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.828 -7.921 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.063 -6.384 3.949 1.00 0.00 H new ATOM 0 HG LEU A 59 4.223 -5.811 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.435 -7.762 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.605 -7.625 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.494 -8.828 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.387 -6.972 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.367 -8.006 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.062 -6.255 1.588 1.00 0.00 H new ATOM 910 N MET A 60 2.267 -4.338 5.513 1.00 0.00 N ATOM 911 CA MET A 60 1.906 -2.925 5.549 1.00 0.00 C ATOM 912 C MET A 60 2.717 -2.182 6.606 1.00 0.00 C ATOM 913 O MET A 60 3.005 -0.995 6.459 1.00 0.00 O ATOM 914 CB MET A 60 0.411 -2.766 5.830 1.00 0.00 C ATOM 915 CG MET A 60 -0.472 -3.109 4.642 1.00 0.00 C ATOM 916 SD MET A 60 -0.131 -2.079 3.202 1.00 0.00 S ATOM 917 CE MET A 60 -0.962 -3.006 1.916 1.00 0.00 C ATOM 0 H MET A 60 1.490 -4.976 5.686 1.00 0.00 H new ATOM 0 HA MET A 60 2.133 -2.493 4.574 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.138 -3.404 6.671 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.214 -1.738 6.133 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.327 -4.156 4.377 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.518 -2.994 4.927 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.221 -3.497 1.285 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.608 -3.758 2.369 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.564 -2.329 1.310 1.00 0.00 H new ATOM 927 N ASP A 61 3.082 -2.889 7.671 1.00 0.00 N ATOM 928 CA ASP A 61 3.860 -2.295 8.751 1.00 0.00 C ATOM 929 C ASP A 61 5.289 -2.008 8.298 1.00 0.00 C ATOM 930 O ASP A 61 5.925 -1.068 8.773 1.00 0.00 O ATOM 931 CB ASP A 61 3.871 -3.222 9.970 1.00 0.00 C ATOM 932 CG ASP A 61 3.228 -2.587 11.186 1.00 0.00 C ATOM 933 OD1 ASP A 61 3.671 -1.490 11.587 1.00 0.00 O ATOM 934 OD2 ASP A 61 2.280 -3.185 11.737 1.00 0.00 O ATOM 0 H ASP A 61 2.851 -3.873 7.809 1.00 0.00 H new ATOM 0 HA ASP A 61 3.391 -1.351 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.346 -4.145 9.725 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.900 -3.494 10.207 1.00 0.00 H new ATOM 939 N ASN A 62 5.788 -2.827 7.378 1.00 0.00 N ATOM 940 CA ASN A 62 7.141 -2.663 6.860 1.00 0.00 C ATOM 941 C ASN A 62 7.164 -1.675 5.698 1.00 0.00 C ATOM 942 O ASN A 62 8.145 -0.957 5.499 1.00 0.00 O ATOM 943 CB ASN A 62 7.704 -4.012 6.409 1.00 0.00 C ATOM 944 CG ASN A 62 8.357 -4.776 7.544 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.533 -5.131 7.473 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.594 -5.031 8.600 1.00 0.00 N ATOM 0 H ASN A 62 5.275 -3.612 6.976 1.00 0.00 H new ATOM 0 HA ASN A 62 7.764 -2.267 7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.901 -4.614 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.434 -3.851 5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.978 -5.540 9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.624 -4.717 8.616 1.00 0.00 H new ATOM 953 N TYR A 63 6.078 -1.643 4.934 1.00 0.00 N ATOM 954 CA TYR A 63 5.974 -0.743 3.791 1.00 0.00 C ATOM 955 C TYR A 63 5.822 0.704 4.248 1.00 0.00 C ATOM 956 O TYR A 63 6.408 1.615 3.664 1.00 0.00 O ATOM 957 CB TYR A 63 4.788 -1.139 2.910 1.00 0.00 C ATOM 958 CG TYR A 63 4.909 -0.667 1.479 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.054 -0.929 0.736 1.00 0.00 C ATOM 960 CD2 TYR A 63 3.880 0.041 0.871 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.169 -0.497 -0.573 1.00 0.00 C ATOM 962 CE2 TYR A 63 3.988 0.475 -0.437 1.00 0.00 C ATOM 963 CZ TYR A 63 5.133 0.203 -1.154 1.00 0.00 C ATOM 964 OH TYR A 63 5.243 0.633 -2.456 1.00 0.00 O ATOM 0 H TYR A 63 5.257 -2.230 5.085 1.00 0.00 H new ATOM 0 HA TYR A 63 6.893 -0.826 3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.687 -2.224 2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.874 -0.731 3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.867 -1.478 1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.981 0.256 1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.066 -0.707 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.179 1.025 -0.895 1.00 0.00 H new ATOM 0 HH TYR A 63 6.177 0.567 -2.745 1.00 0.00 H new ATOM 974 N GLU A 64 5.030 0.908 5.296 1.00 0.00 N ATOM 975 CA GLU A 64 4.802 2.246 5.832 1.00 0.00 C ATOM 976 C GLU A 64 6.097 2.847 6.369 1.00 0.00 C ATOM 977 O GLU A 64 6.377 4.026 6.161 1.00 0.00 O ATOM 978 CB GLU A 64 3.748 2.200 6.940 1.00 0.00 C ATOM 979 CG GLU A 64 3.243 3.573 7.353 1.00 0.00 C ATOM 980 CD GLU A 64 1.813 3.540 7.857 1.00 0.00 C ATOM 981 OE1 GLU A 64 0.936 3.043 7.120 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.570 4.012 8.987 1.00 0.00 O ATOM 0 H GLU A 64 4.536 0.165 5.791 1.00 0.00 H new ATOM 0 HA GLU A 64 4.440 2.878 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.904 1.597 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.170 1.699 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.890 3.975 8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.309 4.252 6.503 1.00 0.00 H new ATOM 989 N VAL A 65 6.882 2.026 7.060 1.00 0.00 N ATOM 990 CA VAL A 65 8.147 2.477 7.627 1.00 0.00 C ATOM 991 C VAL A 65 9.107 2.931 6.533 1.00 0.00 C ATOM 992 O VAL A 65 9.943 3.809 6.752 1.00 0.00 O ATOM 993 CB VAL A 65 8.819 1.367 8.458 1.00 0.00 C ATOM 994 CG1 VAL A 65 10.056 1.902 9.164 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.838 0.778 9.460 1.00 0.00 C ATOM 0 H VAL A 65 6.664 1.046 7.240 1.00 0.00 H new ATOM 0 HA VAL A 65 7.919 3.320 8.280 1.00 0.00 H new ATOM 0 HB VAL A 65 9.130 0.572 7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.517 1.104 9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.767 2.269 8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.771 2.718 9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.332 -0.004 10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.492 1.562 10.134 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.986 0.354 8.929 1.00 0.00 H new ATOM 1005 N SER A 66 8.982 2.329 5.354 1.00 0.00 N ATOM 1006 CA SER A 66 9.839 2.672 4.226 1.00 0.00 C ATOM 1007 C SER A 66 9.141 3.654 3.291 1.00 0.00 C ATOM 1008 O SER A 66 9.327 3.610 2.075 1.00 0.00 O ATOM 1009 CB SER A 66 10.232 1.410 3.455 1.00 0.00 C ATOM 1010 OG SER A 66 10.432 0.317 4.334 1.00 0.00 O ATOM 0 H SER A 66 8.295 1.601 5.156 1.00 0.00 H new ATOM 0 HA SER A 66 10.739 3.147 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.453 1.163 2.734 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.144 1.596 2.888 1.00 0.00 H new ATOM 0 HG SER A 66 9.564 -0.021 4.639 1.00 0.00 H new ATOM 1016 N GLY A 67 8.336 4.542 3.867 1.00 0.00 N ATOM 1017 CA GLY A 67 7.623 5.523 3.070 1.00 0.00 C ATOM 1018 C GLY A 67 6.188 5.117 2.799 1.00 0.00 C ATOM 1019 O GLY A 67 5.260 5.644 3.412 1.00 0.00 O ATOM 0 H GLY A 67 8.165 4.599 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.635 6.483 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.143 5.664 2.122 1.00 0.00 H new ATOM 1023 N GLY A 68 6.005 4.178 1.876 1.00 0.00 N ATOM 1024 CA GLY A 68 4.671 3.718 1.541 1.00 0.00 C ATOM 1025 C GLY A 68 3.864 4.767 0.802 1.00 0.00 C ATOM 1026 O GLY A 68 3.529 5.811 1.363 1.00 0.00 O ATOM 0 H GLY A 68 6.757 3.728 1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.743 2.820 0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.147 3.438 2.455 1.00 0.00 H new ATOM 1030 N THR A 69 3.553 4.492 -0.460 1.00 0.00 N ATOM 1031 CA THR A 69 2.782 5.421 -1.279 1.00 0.00 C ATOM 1032 C THR A 69 1.554 4.736 -1.870 1.00 0.00 C ATOM 1033 O THR A 69 1.594 3.554 -2.213 1.00 0.00 O ATOM 1034 CB THR A 69 3.653 5.988 -2.400 1.00 0.00 C ATOM 1035 OG1 THR A 69 5.026 5.894 -2.064 1.00 0.00 O ATOM 1036 CG2 THR A 69 3.355 7.437 -2.714 1.00 0.00 C ATOM 0 H THR A 69 3.823 3.633 -0.939 1.00 0.00 H new ATOM 0 HA THR A 69 2.447 6.238 -0.640 1.00 0.00 H new ATOM 0 HB THR A 69 3.420 5.388 -3.279 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.567 6.260 -2.794 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.008 7.777 -3.518 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.315 7.535 -3.025 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.527 8.045 -1.826 1.00 0.00 H new ATOM 1044 N VAL A 70 0.462 5.486 -1.986 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.777 4.952 -2.537 1.00 0.00 C ATOM 1046 C VAL A 70 -0.604 4.562 -4.001 1.00 0.00 C ATOM 1047 O VAL A 70 -1.191 3.585 -4.468 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.930 5.968 -2.419 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.246 5.337 -2.850 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -2.027 6.504 -0.998 1.00 0.00 C ATOM 0 H VAL A 70 0.411 6.465 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.025 4.065 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.721 6.805 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.048 6.070 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.170 5.009 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.464 4.480 -2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.847 7.220 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.211 5.679 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.093 6.998 -0.731 1.00 0.00 H new ATOM 1060 N ARG A 71 0.206 5.332 -4.720 1.00 0.00 N ATOM 1061 CA ARG A 71 0.458 5.068 -6.132 1.00 0.00 C ATOM 1062 C ARG A 71 1.074 3.687 -6.326 1.00 0.00 C ATOM 1063 O ARG A 71 0.732 2.969 -7.264 1.00 0.00 O ATOM 1064 CB ARG A 71 1.382 6.138 -6.716 1.00 0.00 C ATOM 1065 CG ARG A 71 0.644 7.354 -7.250 1.00 0.00 C ATOM 1066 CD ARG A 71 0.648 8.496 -6.245 1.00 0.00 C ATOM 1067 NE ARG A 71 -0.642 9.179 -6.188 1.00 0.00 N ATOM 1068 CZ ARG A 71 -0.815 10.397 -5.679 1.00 0.00 C ATOM 1069 NH1 ARG A 71 0.217 11.070 -5.184 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -2.023 10.944 -5.664 1.00 0.00 N ATOM 0 H ARG A 71 0.699 6.144 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.497 5.097 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.084 6.459 -5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.970 5.698 -7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.109 7.684 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.384 7.081 -7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.897 8.109 -5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.426 9.212 -6.512 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.459 8.694 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.148 10.654 -5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.078 12.003 -4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.820 10.432 -6.042 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.155 11.877 -5.274 1.00 0.00 H new ATOM 1084 N GLU A 72 1.984 3.326 -5.429 1.00 0.00 N ATOM 1085 CA GLU A 72 2.651 2.031 -5.496 1.00 0.00 C ATOM 1086 C GLU A 72 1.721 0.916 -5.030 1.00 0.00 C ATOM 1087 O GLU A 72 1.793 -0.212 -5.520 1.00 0.00 O ATOM 1088 CB GLU A 72 3.918 2.043 -4.640 1.00 0.00 C ATOM 1089 CG GLU A 72 5.108 2.697 -5.325 1.00 0.00 C ATOM 1090 CD GLU A 72 6.231 1.717 -5.608 1.00 0.00 C ATOM 1091 OE1 GLU A 72 6.699 1.059 -4.656 1.00 0.00 O ATOM 1092 OE2 GLU A 72 6.640 1.607 -6.784 1.00 0.00 O ATOM 0 H GLU A 72 2.277 3.912 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 72 2.923 1.843 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.712 2.569 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.179 1.018 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.780 3.148 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.485 3.504 -4.697 1.00 0.00 H new ATOM 1099 N LEU A 73 0.847 1.239 -4.083 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.099 0.265 -3.550 1.00 0.00 C ATOM 1101 C LEU A 73 -1.127 -0.128 -4.606 1.00 0.00 C ATOM 1102 O LEU A 73 -1.381 -1.311 -4.830 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.805 0.831 -2.317 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.082 -0.184 -1.207 1.00 0.00 C ATOM 1105 CD1 LEU A 73 0.220 -0.633 -0.560 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.021 0.408 -0.167 1.00 0.00 C ATOM 0 H LEU A 73 0.774 2.168 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 73 0.458 -0.627 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.197 1.638 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.751 1.272 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.565 -1.056 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.005 -1.355 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.859 -1.096 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.730 0.230 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.207 -0.328 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.565 1.296 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.964 0.680 -0.641 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.716 0.873 -5.251 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.718 0.634 -6.284 1.00 0.00 C ATOM 1120 C VAL A 74 -2.087 0.007 -7.523 1.00 0.00 C ATOM 1121 O VAL A 74 -2.725 -0.772 -8.230 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.432 1.938 -6.687 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.579 1.647 -7.644 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.932 2.679 -5.456 1.00 0.00 C ATOM 0 H VAL A 74 -1.517 1.858 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.450 -0.055 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.714 2.577 -7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.071 2.581 -7.917 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.191 1.165 -8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.298 0.986 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.433 3.597 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.633 2.047 -4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.088 2.924 -4.811 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.830 0.353 -7.778 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.111 -0.177 -8.932 1.00 0.00 C ATOM 1136 C GLU A 75 0.173 -1.666 -8.759 1.00 0.00 C ATOM 1137 O GLU A 75 -0.082 -2.465 -9.659 1.00 0.00 O ATOM 1138 CB GLU A 75 1.200 0.586 -9.137 1.00 0.00 C ATOM 1139 CG GLU A 75 1.086 1.737 -10.123 1.00 0.00 C ATOM 1140 CD GLU A 75 2.203 1.738 -11.149 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.347 2.081 -10.780 1.00 0.00 O ATOM 1142 OE2 GLU A 75 1.936 1.398 -12.320 1.00 0.00 O ATOM 0 H GLU A 75 -0.288 0.997 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.740 -0.046 -9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.539 0.974 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.964 -0.108 -9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.126 1.677 -10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.098 2.681 -9.577 1.00 0.00 H new ATOM 1149 N ALA A 76 0.702 -2.030 -7.595 1.00 0.00 N ATOM 1150 CA ALA A 76 1.021 -3.422 -7.303 1.00 0.00 C ATOM 1151 C ALA A 76 -0.216 -4.306 -7.421 1.00 0.00 C ATOM 1152 O ALA A 76 -0.158 -5.401 -7.984 1.00 0.00 O ATOM 1153 CB ALA A 76 1.627 -3.543 -5.913 1.00 0.00 C ATOM 0 H ALA A 76 0.919 -1.380 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 76 1.750 -3.764 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.861 -4.588 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.540 -2.950 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.915 -3.178 -5.173 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.334 -3.825 -6.890 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.586 -4.570 -6.937 1.00 0.00 C ATOM 1161 C LEU A 77 -3.046 -4.772 -8.377 1.00 0.00 C ATOM 1162 O LEU A 77 -3.705 -5.762 -8.695 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.670 -3.839 -6.141 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.379 -3.678 -4.648 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.341 -2.679 -4.023 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.468 -5.022 -3.942 1.00 0.00 C ATOM 0 H LEU A 77 -1.399 -2.921 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.414 -5.549 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.814 -2.850 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.610 -4.378 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.365 -3.296 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.120 -2.577 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.229 -1.711 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.365 -3.032 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.258 -4.890 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.470 -5.432 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.739 -5.708 -4.373 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.695 -3.829 -9.244 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.072 -3.903 -10.650 1.00 0.00 C ATOM 1180 C ARG A 78 -2.196 -4.906 -11.396 1.00 0.00 C ATOM 1181 O ARG A 78 -2.640 -5.542 -12.352 1.00 0.00 O ATOM 1182 CB ARG A 78 -2.960 -2.524 -11.303 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.097 -2.211 -12.263 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.562 -0.770 -12.126 1.00 0.00 C ATOM 1185 NE ARG A 78 -3.464 0.179 -12.291 1.00 0.00 N ATOM 1186 CZ ARG A 78 -2.972 0.544 -13.474 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -3.477 0.043 -14.594 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -1.972 1.413 -13.535 1.00 0.00 N ATOM 0 H ARG A 78 -2.149 -3.003 -8.997 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.107 -4.240 -10.706 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.934 -1.763 -10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.014 -2.462 -11.841 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.770 -2.393 -13.287 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.933 -2.884 -12.070 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.332 -0.566 -12.870 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.019 -0.628 -11.147 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.050 0.586 -11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.246 -0.626 -14.552 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.096 0.326 -15.497 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.580 1.801 -12.677 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.594 1.693 -14.440 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.952 -5.041 -10.951 1.00 0.00 N ATOM 1203 CA GLN A 79 -0.014 -5.967 -11.575 1.00 0.00 C ATOM 1204 C GLN A 79 -0.366 -7.412 -11.236 1.00 0.00 C ATOM 1205 O GLN A 79 -0.208 -8.309 -12.063 1.00 0.00 O ATOM 1206 CB GLN A 79 1.415 -5.658 -11.123 1.00 0.00 C ATOM 1207 CG GLN A 79 1.893 -4.272 -11.520 1.00 0.00 C ATOM 1208 CD GLN A 79 3.404 -4.153 -11.524 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.116 -5.152 -11.421 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.902 -2.927 -11.640 1.00 0.00 N ATOM 0 H GLN A 79 -0.570 -4.521 -10.161 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.082 -5.841 -12.656 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.473 -5.756 -10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.090 -6.401 -11.547 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.511 -4.031 -12.512 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.477 -3.537 -10.831 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.274 -2.127 -11.723 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.912 -2.785 -11.646 1.00 0.00 H new ATOM 1219 N MET A 80 -0.844 -7.628 -10.015 1.00 0.00 N ATOM 1220 CA MET A 80 -1.218 -8.965 -9.566 1.00 0.00 C ATOM 1221 C MET A 80 -2.588 -9.358 -10.110 1.00 0.00 C ATOM 1222 O MET A 80 -2.835 -10.525 -10.411 1.00 0.00 O ATOM 1223 CB MET A 80 -1.227 -9.028 -8.038 1.00 0.00 C ATOM 1224 CG MET A 80 0.159 -8.961 -7.418 1.00 0.00 C ATOM 1225 SD MET A 80 0.117 -9.007 -5.616 1.00 0.00 S ATOM 1226 CE MET A 80 -0.928 -10.434 -5.338 1.00 0.00 C ATOM 0 H MET A 80 -0.982 -6.895 -9.319 1.00 0.00 H new ATOM 0 HA MET A 80 -0.479 -9.669 -9.948 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.829 -8.205 -7.652 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.712 -9.952 -7.724 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.758 -9.795 -7.785 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.654 -8.046 -7.743 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.893 -10.711 -4.284 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.954 -10.193 -5.616 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.574 -11.268 -5.944 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.474 -8.375 -10.233 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.809 -8.639 -10.739 1.00 0.00 C ATOM 1238 C GLY A 81 -5.882 -8.420 -9.691 1.00 0.00 C ATOM 1239 O GLY A 81 -6.949 -9.030 -9.750 1.00 0.00 O ATOM 0 H GLY A 81 -3.292 -7.401 -9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.004 -7.992 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.861 -9.667 -11.098 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.598 -7.548 -8.729 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.548 -7.251 -7.662 1.00 0.00 C ATOM 1245 C TYR A 82 -7.590 -6.240 -8.129 1.00 0.00 C ATOM 1246 O TYR A 82 -7.248 -5.172 -8.637 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.812 -6.714 -6.432 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.558 -7.764 -5.373 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.613 -8.414 -4.746 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.263 -8.103 -5.001 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.384 -9.372 -3.777 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.027 -9.062 -4.034 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.090 -9.693 -3.425 1.00 0.00 C ATOM 1254 OH TYR A 82 -4.859 -10.647 -2.462 1.00 0.00 O ATOM 0 H TYR A 82 -4.719 -7.035 -8.666 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.060 -8.176 -7.395 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.859 -6.289 -6.746 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.395 -5.903 -5.995 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.628 -8.167 -5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.427 -7.609 -5.475 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.215 -9.867 -3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.014 -9.316 -3.757 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.698 -11.105 -2.247 1.00 0.00 H new ATOM 1264 N THR A 83 -8.862 -6.584 -7.954 1.00 0.00 N ATOM 1265 CA THR A 83 -9.954 -5.705 -8.358 1.00 0.00 C ATOM 1266 C THR A 83 -10.653 -5.111 -7.140 1.00 0.00 C ATOM 1267 O THR A 83 -11.034 -3.940 -7.140 1.00 0.00 O ATOM 1268 CB THR A 83 -10.961 -6.469 -9.217 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.322 -7.513 -9.930 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.675 -5.593 -10.223 1.00 0.00 C ATOM 0 H THR A 83 -9.162 -7.464 -7.535 1.00 0.00 H new ATOM 0 HA THR A 83 -9.532 -4.890 -8.946 1.00 0.00 H new ATOM 0 HB THR A 83 -11.698 -6.864 -8.517 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.983 -7.991 -10.472 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.375 -6.197 -10.800 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.220 -4.807 -9.699 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.945 -5.142 -10.896 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.819 -5.926 -6.103 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.473 -5.479 -4.879 1.00 0.00 C ATOM 1280 C GLU A 84 -10.532 -4.623 -4.040 1.00 0.00 C ATOM 1281 O GLU A 84 -10.950 -3.639 -3.428 1.00 0.00 O ATOM 1282 CB GLU A 84 -11.950 -6.682 -4.063 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.275 -6.451 -3.355 1.00 0.00 C ATOM 1284 CD GLU A 84 -14.458 -6.973 -4.146 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -14.572 -8.208 -4.298 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -15.271 -6.149 -4.612 1.00 0.00 O ATOM 0 H GLU A 84 -10.510 -6.898 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.334 -4.872 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.046 -7.543 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.191 -6.932 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.251 -6.938 -2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.405 -5.384 -3.175 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.258 -5.003 -4.014 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.257 -4.269 -3.250 1.00 0.00 C ATOM 1295 C ALA A 85 -8.155 -2.823 -3.723 1.00 0.00 C ATOM 1296 O ALA A 85 -7.972 -1.908 -2.919 1.00 0.00 O ATOM 1297 CB ALA A 85 -6.904 -4.958 -3.358 1.00 0.00 C ATOM 0 H ALA A 85 -8.895 -5.815 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.567 -4.260 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.165 -4.400 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.980 -5.972 -2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.597 -4.996 -4.403 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.276 -2.623 -5.031 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.198 -1.289 -5.611 1.00 0.00 C ATOM 1305 C ILE A 86 -9.464 -0.489 -5.325 1.00 0.00 C ATOM 1306 O ILE A 86 -9.419 0.729 -5.158 1.00 0.00 O ATOM 1307 CB ILE A 86 -7.975 -1.349 -7.135 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.829 -2.304 -7.467 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.693 0.041 -7.686 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.556 -2.430 -8.950 1.00 0.00 C ATOM 0 H ILE A 86 -8.429 -3.369 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.346 -0.793 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.883 -1.725 -7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.924 -1.959 -6.967 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.060 -3.290 -7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.538 -0.019 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.540 0.694 -7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.798 0.445 -7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.731 -3.124 -9.110 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.447 -2.804 -9.454 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.293 -1.453 -9.356 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.597 -1.185 -5.269 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.877 -0.539 -5.003 1.00 0.00 C ATOM 1324 C GLU A 87 -11.904 0.060 -3.601 1.00 0.00 C ATOM 1325 O GLU A 87 -12.473 1.130 -3.383 1.00 0.00 O ATOM 1326 CB GLU A 87 -13.020 -1.544 -5.161 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.369 -1.846 -6.610 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.479 -2.868 -6.742 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -14.587 -3.745 -5.858 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -15.241 -2.794 -7.729 1.00 0.00 O ATOM 0 H GLU A 87 -10.654 -2.194 -5.404 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.006 0.267 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.748 -2.473 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.905 -1.157 -4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.669 -0.924 -7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.481 -2.212 -7.125 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.284 -0.635 -2.654 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.236 -0.172 -1.272 1.00 0.00 C ATOM 1339 C VAL A 88 -10.496 1.157 -1.163 1.00 0.00 C ATOM 1340 O VAL A 88 -10.831 1.999 -0.331 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.552 -1.203 -0.356 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.701 -0.804 1.104 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.122 -2.593 -0.598 1.00 0.00 C ATOM 0 H VAL A 88 -10.807 -1.522 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.268 -0.039 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.489 -1.225 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.211 -1.545 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.240 0.171 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.759 -0.751 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.627 -3.309 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.192 -2.589 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.956 -2.878 -1.637 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.487 1.337 -2.009 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.699 2.563 -2.009 1.00 0.00 C ATOM 1355 C ILE A 89 -9.359 3.642 -2.860 1.00 0.00 C ATOM 1356 O ILE A 89 -9.238 4.833 -2.573 1.00 0.00 O ATOM 1357 CB ILE A 89 -7.272 2.314 -2.532 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.653 1.102 -1.833 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.408 3.548 -2.327 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.414 0.574 -2.524 1.00 0.00 C ATOM 0 H ILE A 89 -9.196 0.649 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.645 2.903 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.325 2.106 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.400 1.374 -0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.396 0.306 -1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.403 3.355 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.841 4.390 -2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.359 3.786 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.029 -0.285 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.665 0.271 -3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.654 1.355 -2.556 1.00 0.00 H new ATOM 1372 N GLN A 90 -10.058 3.216 -3.907 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.739 4.147 -4.800 1.00 0.00 C ATOM 1374 C GLN A 90 -12.044 4.639 -4.182 1.00 0.00 C ATOM 1375 O GLN A 90 -12.394 5.813 -4.300 1.00 0.00 O ATOM 1376 CB GLN A 90 -11.021 3.479 -6.148 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.775 3.261 -6.992 1.00 0.00 C ATOM 1378 CD GLN A 90 -10.052 3.368 -8.478 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -11.034 3.983 -8.896 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.186 2.768 -9.286 1.00 0.00 N ATOM 0 H GLN A 90 -10.168 2.233 -4.158 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.085 5.005 -4.956 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.504 2.518 -5.974 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.726 4.093 -6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.019 3.995 -6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.360 2.277 -6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.386 2.269 -8.896 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.321 2.806 -10.296 1.00 0.00 H new ATOM 1389 N ALA A 91 -12.757 3.733 -3.520 1.00 0.00 N ATOM 1390 CA ALA A 91 -14.023 4.075 -2.883 1.00 0.00 C ATOM 1391 C ALA A 91 -13.805 5.007 -1.696 1.00 0.00 C ATOM 1392 O ALA A 91 -14.651 5.848 -1.391 1.00 0.00 O ATOM 1393 CB ALA A 91 -14.747 2.813 -2.439 1.00 0.00 C ATOM 0 H ALA A 91 -12.480 2.758 -3.411 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.641 4.597 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.691 3.083 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.944 2.182 -3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.126 2.269 -1.728 1.00 0.00 H new