USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 579 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 13 HIS : no HE2:sc= -2.54 K(o=-1.9,f=-2.5) USER MOD Set 1.2: A 17 CYS SG : rot 50:sc= -1.55 USER MOD Set 1.3: A 20 ASN : amide:sc= -0.492 X(o=-1.9,f=-1.6) USER MOD Set 1.4: A 65 SER OG : rot 100:sc= 1.49 USER MOD Set 1.5: A 69 TYR OH : rot 34:sc= 1.22 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 ASN : amide:sc= -0.837 X(o=-0.84,f=-1) USER MOD Set 3.1: A 3 SER OG : rot -127:sc= 0.63 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.095) USER MOD Single : A 1 ASN N :NH3+ -141:sc= 0.0493 (180deg=-0.206) USER MOD Single : A 4 THR OG1 : rot 25:sc= 0.867 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 156:sc= -0.262 (180deg=-2.67) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0396 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= 0.58 (180deg=-0.573) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 89:sc= 1.19 USER MOD Single : A 24 THR OG1 : rot 85:sc= 0.0619 USER MOD Single : A 26 SER OG : rot -47:sc= 0.0322 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -28:sc= 0.285 USER MOD Single : A 33 SER OG : rot 64:sc= 1.22 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.736 K(o=0.74,f=0) USER MOD Single : A 50 SER OG : rot 30:sc= 1.26 USER MOD Single : A 51 SER OG : rot 60:sc= 0.044 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.279 USER MOD Single : A 56 SER OG : rot -80:sc= 1.18 USER MOD Single : A 59 LYS NZ :NH3+ -120:sc= 1.21 (180deg=-0.662!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 3:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.088 -14.098 -8.519 1.00 0.00 N ATOM 2 CA ASN A 1 -10.987 -14.013 -7.546 1.00 0.00 C ATOM 3 C ASN A 1 -10.980 -12.650 -6.810 1.00 0.00 C ATOM 4 O ASN A 1 -11.997 -11.952 -6.770 1.00 0.00 O ATOM 5 CB ASN A 1 -9.634 -14.422 -8.176 1.00 0.00 C ATOM 6 CG ASN A 1 -9.624 -15.804 -8.835 1.00 0.00 C ATOM 7 OD1 ASN A 1 -8.860 -16.064 -9.753 1.00 0.00 O ATOM 8 ND2 ASN A 1 -10.441 -16.754 -8.404 1.00 0.00 N ATOM 0 H1 ASN A 1 -12.493 -15.056 -8.502 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.824 -13.406 -8.272 1.00 0.00 H new ATOM 0 H3 ASN A 1 -11.726 -13.893 -9.472 1.00 0.00 H new ATOM 0 HA ASN A 1 -11.160 -14.750 -6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -9.357 -13.677 -8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -8.867 -14.399 -7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -10.423 -17.677 -8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -11.088 -16.562 -7.639 1.00 0.00 H new ATOM 15 N ASP A 2 -9.871 -12.314 -6.152 1.00 0.00 N ATOM 16 CA ASP A 2 -9.666 -11.078 -5.403 1.00 0.00 C ATOM 17 C ASP A 2 -9.526 -9.834 -6.299 1.00 0.00 C ATOM 18 O ASP A 2 -9.168 -9.901 -7.474 1.00 0.00 O ATOM 19 CB ASP A 2 -8.427 -11.242 -4.514 1.00 0.00 C ATOM 20 CG ASP A 2 -8.647 -12.234 -3.369 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.662 -13.459 -3.629 1.00 0.00 O ATOM 22 OD2 ASP A 2 -8.855 -11.744 -2.235 1.00 0.00 O ATOM 0 H ASP A 2 -9.055 -12.925 -6.126 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.556 -10.907 -4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.589 -11.579 -5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.151 -10.272 -4.101 1.00 0.00 H new ATOM 27 N SER A 3 -9.770 -8.664 -5.710 1.00 0.00 N ATOM 28 CA SER A 3 -9.458 -7.379 -6.328 1.00 0.00 C ATOM 29 C SER A 3 -7.967 -7.038 -6.165 1.00 0.00 C ATOM 30 O SER A 3 -7.200 -7.756 -5.518 1.00 0.00 O ATOM 31 CB SER A 3 -10.346 -6.294 -5.702 1.00 0.00 C ATOM 32 OG SER A 3 -10.293 -5.063 -6.407 1.00 0.00 O ATOM 0 H SER A 3 -10.192 -8.582 -4.785 1.00 0.00 H new ATOM 0 HA SER A 3 -9.660 -7.434 -7.398 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.377 -6.647 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.037 -6.129 -4.670 1.00 0.00 H new ATOM 0 HG SER A 3 -10.074 -4.339 -5.784 1.00 0.00 H new ATOM 38 N THR A 4 -7.538 -5.911 -6.736 1.00 0.00 N ATOM 39 CA THR A 4 -6.135 -5.495 -6.816 1.00 0.00 C ATOM 40 C THR A 4 -6.043 -4.032 -7.209 1.00 0.00 C ATOM 41 O THR A 4 -6.827 -3.541 -8.020 1.00 0.00 O ATOM 42 CB THR A 4 -5.351 -6.400 -7.785 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.033 -7.573 -7.096 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.008 -5.862 -8.286 1.00 0.00 C ATOM 0 H THR A 4 -8.175 -5.242 -7.169 1.00 0.00 H new ATOM 0 HA THR A 4 -5.678 -5.604 -5.833 1.00 0.00 H new ATOM 0 HB THR A 4 -6.001 -6.508 -8.653 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.680 -7.714 -6.373 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.554 -6.588 -8.960 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.167 -4.924 -8.818 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.346 -5.690 -7.438 1.00 0.00 H new ATOM 52 N ALA A 5 -5.032 -3.364 -6.661 1.00 0.00 N ATOM 53 CA ALA A 5 -4.600 -2.022 -7.034 1.00 0.00 C ATOM 54 C ALA A 5 -3.089 -1.829 -6.784 1.00 0.00 C ATOM 55 O ALA A 5 -2.462 -2.619 -6.062 1.00 0.00 O ATOM 56 CB ALA A 5 -5.438 -1.005 -6.250 1.00 0.00 C ATOM 0 H ALA A 5 -4.467 -3.762 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.756 -1.870 -8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.128 0.005 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.492 -1.137 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.291 -1.159 -5.181 1.00 0.00 H new ATOM 62 N THR A 6 -2.529 -0.749 -7.352 1.00 0.00 N ATOM 63 CA THR A 6 -1.125 -0.340 -7.205 1.00 0.00 C ATOM 64 C THR A 6 -1.026 1.106 -6.752 1.00 0.00 C ATOM 65 O THR A 6 -1.665 2.003 -7.304 1.00 0.00 O ATOM 66 CB THR A 6 -0.357 -0.479 -8.514 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.431 -1.811 -8.954 1.00 0.00 O ATOM 68 CG2 THR A 6 1.117 -0.097 -8.374 1.00 0.00 C ATOM 0 H THR A 6 -3.061 -0.115 -7.947 1.00 0.00 H new ATOM 0 HA THR A 6 -0.687 -1.000 -6.456 1.00 0.00 H new ATOM 0 HB THR A 6 -0.815 0.203 -9.230 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.060 -1.905 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.616 -0.215 -9.336 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.195 0.941 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.592 -0.744 -7.637 1.00 0.00 H new ATOM 76 N PHE A 7 -0.141 1.322 -5.786 1.00 0.00 N ATOM 77 CA PHE A 7 0.032 2.576 -5.059 1.00 0.00 C ATOM 78 C PHE A 7 1.505 2.981 -4.993 1.00 0.00 C ATOM 79 O PHE A 7 2.399 2.136 -4.938 1.00 0.00 O ATOM 80 CB PHE A 7 -0.539 2.461 -3.637 1.00 0.00 C ATOM 81 CG PHE A 7 -1.939 1.869 -3.551 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.155 0.474 -3.603 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.050 2.734 -3.481 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.458 -0.038 -3.627 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.354 2.215 -3.509 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.557 0.832 -3.588 1.00 0.00 C ATOM 0 H PHE A 7 0.504 0.597 -5.474 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.514 3.348 -5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.136 1.848 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.552 3.453 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.312 -0.200 -3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.897 3.800 -3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.617 -1.105 -3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.202 2.883 -3.470 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.561 0.435 -3.619 1.00 0.00 H new ATOM 96 N ILE A 8 1.770 4.282 -4.959 1.00 0.00 N ATOM 97 CA ILE A 8 3.104 4.872 -4.943 1.00 0.00 C ATOM 98 C ILE A 8 3.203 5.966 -3.894 1.00 0.00 C ATOM 99 O ILE A 8 2.235 6.685 -3.665 1.00 0.00 O ATOM 100 CB ILE A 8 3.437 5.380 -6.357 1.00 0.00 C ATOM 101 CG1 ILE A 8 4.950 5.635 -6.459 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.628 6.609 -6.808 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.505 5.329 -7.849 1.00 0.00 C ATOM 0 H ILE A 8 1.030 4.984 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 8 3.842 4.119 -4.664 1.00 0.00 H new ATOM 0 HB ILE A 8 3.137 4.594 -7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.157 6.676 -6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.469 5.022 -5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.931 6.894 -7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.565 6.367 -6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.814 7.438 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.577 5.526 -7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.326 4.281 -8.090 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.009 5.961 -8.586 1.00 0.00 H new ATOM 115 N ILE A 9 4.356 6.038 -3.227 1.00 0.00 N ATOM 116 CA ILE A 9 4.560 6.905 -2.077 1.00 0.00 C ATOM 117 C ILE A 9 5.770 7.835 -2.297 1.00 0.00 C ATOM 118 O ILE A 9 6.919 7.404 -2.211 1.00 0.00 O ATOM 119 CB ILE A 9 4.774 6.044 -0.819 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.759 4.919 -0.502 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.808 7.021 0.375 1.00 0.00 C ATOM 122 CD1 ILE A 9 3.656 3.695 -1.413 1.00 0.00 C ATOM 0 H ILE A 9 5.179 5.489 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 9 3.675 7.528 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 9 5.693 5.490 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.982 4.557 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.771 5.377 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.958 6.462 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.626 7.729 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.864 7.563 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.892 3.019 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.387 4.013 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.616 3.180 -1.440 1.00 0.00 H new ATOM 134 N ASP A 10 5.547 9.128 -2.514 1.00 0.00 N ATOM 135 CA ASP A 10 6.608 10.140 -2.719 1.00 0.00 C ATOM 136 C ASP A 10 7.233 10.699 -1.416 1.00 0.00 C ATOM 137 O ASP A 10 7.700 11.834 -1.364 1.00 0.00 O ATOM 138 CB ASP A 10 6.088 11.252 -3.644 1.00 0.00 C ATOM 139 CG ASP A 10 7.218 12.074 -4.272 1.00 0.00 C ATOM 140 OD1 ASP A 10 8.103 11.450 -4.910 1.00 0.00 O ATOM 141 OD2 ASP A 10 7.173 13.314 -4.102 1.00 0.00 O ATOM 0 H ASP A 10 4.607 9.522 -2.555 1.00 0.00 H new ATOM 0 HA ASP A 10 7.441 9.628 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.484 10.808 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.434 11.914 -3.077 1.00 0.00 H new ATOM 146 N GLY A 11 7.206 9.906 -0.343 1.00 0.00 N ATOM 147 CA GLY A 11 7.787 10.227 0.974 1.00 0.00 C ATOM 148 C GLY A 11 8.286 8.998 1.736 1.00 0.00 C ATOM 149 O GLY A 11 8.339 8.997 2.962 1.00 0.00 O ATOM 0 H GLY A 11 6.764 8.987 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.616 10.921 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.038 10.740 1.578 1.00 0.00 H new ATOM 153 N MET A 12 8.577 7.914 1.015 1.00 0.00 N ATOM 154 CA MET A 12 8.855 6.596 1.583 1.00 0.00 C ATOM 155 C MET A 12 10.313 6.429 2.004 1.00 0.00 C ATOM 156 O MET A 12 11.219 6.668 1.217 1.00 0.00 O ATOM 157 CB MET A 12 8.434 5.561 0.543 1.00 0.00 C ATOM 158 CG MET A 12 8.338 4.148 1.078 1.00 0.00 C ATOM 159 SD MET A 12 9.724 3.088 0.613 1.00 0.00 S ATOM 160 CE MET A 12 8.808 1.791 -0.259 1.00 0.00 C ATOM 0 H MET A 12 8.627 7.930 -0.004 1.00 0.00 H new ATOM 0 HA MET A 12 8.288 6.464 2.504 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.466 5.848 0.132 1.00 0.00 H new ATOM 0 HB3 MET A 12 9.148 5.578 -0.280 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.273 4.186 2.165 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.413 3.697 0.719 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.470 1.290 -0.966 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.430 1.065 0.461 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.972 2.236 -0.798 1.00 0.00 H new ATOM 170 N HIS A 13 10.545 5.958 3.231 1.00 0.00 N ATOM 171 CA HIS A 13 11.871 5.913 3.873 1.00 0.00 C ATOM 172 C HIS A 13 12.842 4.851 3.277 1.00 0.00 C ATOM 173 O HIS A 13 13.834 4.505 3.920 1.00 0.00 O ATOM 174 CB HIS A 13 11.731 5.630 5.382 1.00 0.00 C ATOM 175 CG HIS A 13 10.691 6.335 6.239 1.00 0.00 C ATOM 176 ND1 HIS A 13 10.521 6.076 7.585 1.00 0.00 N ATOM 177 CD2 HIS A 13 9.618 7.104 5.855 1.00 0.00 C ATOM 178 CE1 HIS A 13 9.357 6.613 7.980 1.00 0.00 C ATOM 179 NE2 HIS A 13 8.758 7.222 6.949 1.00 0.00 N ATOM 0 H HIS A 13 9.802 5.587 3.824 1.00 0.00 H new ATOM 0 HA HIS A 13 12.303 6.896 3.684 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.552 4.560 5.486 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.702 5.836 5.832 1.00 0.00 H new ATOM 0 HD1 HIS A 13 11.172 5.562 8.179 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.467 7.540 4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.961 6.562 8.983 1.00 0.00 H new ATOM 187 N CYS A 14 12.520 4.258 2.117 1.00 0.00 N ATOM 188 CA CYS A 14 13.344 3.352 1.291 1.00 0.00 C ATOM 189 C CYS A 14 13.125 1.874 1.683 1.00 0.00 C ATOM 190 O CYS A 14 12.022 1.478 2.070 1.00 0.00 O ATOM 191 CB CYS A 14 14.815 3.833 1.273 1.00 0.00 C ATOM 192 SG CYS A 14 15.738 3.154 -0.139 1.00 0.00 S ATOM 0 H CYS A 14 11.604 4.410 1.696 1.00 0.00 H new ATOM 0 HA CYS A 14 13.019 3.394 0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.840 4.922 1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.304 3.538 2.201 1.00 0.00 H new ATOM 0 HG CYS A 14 16.962 3.590 -0.107 1.00 0.00 H new ATOM 198 N LYS A 15 14.159 1.030 1.615 1.00 0.00 N ATOM 199 CA LYS A 15 14.053 -0.409 1.905 1.00 0.00 C ATOM 200 C LYS A 15 13.545 -0.708 3.331 1.00 0.00 C ATOM 201 O LYS A 15 12.801 -1.665 3.509 1.00 0.00 O ATOM 202 CB LYS A 15 15.390 -1.111 1.591 1.00 0.00 C ATOM 203 CG LYS A 15 15.532 -1.556 0.119 1.00 0.00 C ATOM 204 CD LYS A 15 15.453 -0.415 -0.906 1.00 0.00 C ATOM 205 CE LYS A 15 15.812 -0.856 -2.335 1.00 0.00 C ATOM 206 NZ LYS A 15 15.656 0.284 -3.275 1.00 0.00 N ATOM 0 H LYS A 15 15.100 1.325 1.356 1.00 0.00 H new ATOM 0 HA LYS A 15 13.288 -0.822 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.210 -0.436 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.491 -1.984 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.486 -2.069 -0.001 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.750 -2.282 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.444 -0.002 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.126 0.386 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.838 -1.223 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.169 -1.681 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.282 0.146 -4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.669 0.335 -3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.908 1.170 -2.792 1.00 0.00 H new ATOM 220 N SER A 16 13.802 0.136 4.332 1.00 0.00 N ATOM 221 CA SER A 16 13.137 -0.026 5.637 1.00 0.00 C ATOM 222 C SER A 16 11.635 0.286 5.580 1.00 0.00 C ATOM 223 O SER A 16 10.861 -0.385 6.259 1.00 0.00 O ATOM 224 CB SER A 16 13.777 0.868 6.703 1.00 0.00 C ATOM 225 OG SER A 16 15.196 0.810 6.646 1.00 0.00 O ATOM 0 H SER A 16 14.449 0.922 4.274 1.00 0.00 H new ATOM 0 HA SER A 16 13.265 -1.076 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.448 1.897 6.562 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.438 0.558 7.691 1.00 0.00 H new ATOM 0 HG SER A 16 15.575 1.392 7.337 1.00 0.00 H new ATOM 231 N CYS A 17 11.194 1.251 4.756 1.00 0.00 N ATOM 232 CA CYS A 17 9.763 1.461 4.572 1.00 0.00 C ATOM 233 C CYS A 17 9.083 0.339 3.791 1.00 0.00 C ATOM 234 O CYS A 17 8.002 -0.042 4.218 1.00 0.00 O ATOM 235 CB CYS A 17 9.437 2.860 4.051 1.00 0.00 C ATOM 236 SG CYS A 17 8.953 3.841 5.492 1.00 0.00 S ATOM 0 H CYS A 17 11.796 1.879 4.223 1.00 0.00 H new ATOM 0 HA CYS A 17 9.321 1.411 5.567 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.301 3.300 3.554 1.00 0.00 H new ATOM 0 HB3 CYS A 17 8.631 2.823 3.318 1.00 0.00 H new ATOM 0 HG CYS A 17 9.844 3.705 6.429 1.00 0.00 H new ATOM 242 N VAL A 18 9.699 -0.232 2.755 1.00 0.00 N ATOM 243 CA VAL A 18 9.176 -1.430 2.064 1.00 0.00 C ATOM 244 C VAL A 18 8.646 -2.478 3.056 1.00 0.00 C ATOM 245 O VAL A 18 7.482 -2.862 2.974 1.00 0.00 O ATOM 246 CB VAL A 18 10.264 -2.084 1.174 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.911 -3.511 0.713 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.661 -1.184 -0.006 1.00 0.00 C ATOM 0 H VAL A 18 10.575 0.117 2.365 1.00 0.00 H new ATOM 0 HA VAL A 18 8.351 -1.089 1.439 1.00 0.00 H new ATOM 0 HB VAL A 18 11.139 -2.190 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.718 -3.904 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.776 -4.152 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.988 -3.488 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.425 -1.682 -0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.786 -0.990 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.054 -0.240 0.372 1.00 0.00 H new ATOM 258 N SER A 19 9.471 -2.867 4.034 1.00 0.00 N ATOM 259 CA SER A 19 9.105 -3.849 5.067 1.00 0.00 C ATOM 260 C SER A 19 7.881 -3.428 5.893 1.00 0.00 C ATOM 261 O SER A 19 7.008 -4.248 6.190 1.00 0.00 O ATOM 262 CB SER A 19 10.308 -3.980 6.011 1.00 0.00 C ATOM 263 OG SER A 19 10.211 -5.124 6.833 1.00 0.00 O ATOM 0 H SER A 19 10.420 -2.507 4.134 1.00 0.00 H new ATOM 0 HA SER A 19 8.847 -4.786 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.225 -4.031 5.425 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.378 -3.089 6.635 1.00 0.00 H new ATOM 0 HG SER A 19 10.995 -5.174 7.418 1.00 0.00 H new ATOM 269 N ASN A 20 7.782 -2.141 6.237 1.00 0.00 N ATOM 270 CA ASN A 20 6.608 -1.615 6.932 1.00 0.00 C ATOM 271 C ASN A 20 5.361 -1.658 6.058 1.00 0.00 C ATOM 272 O ASN A 20 4.288 -1.976 6.551 1.00 0.00 O ATOM 273 CB ASN A 20 6.841 -0.164 7.319 1.00 0.00 C ATOM 274 CG ASN A 20 8.041 0.023 8.222 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.407 -0.802 9.047 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.728 1.121 8.004 1.00 0.00 N ATOM 0 H ASN A 20 8.502 -1.445 6.045 1.00 0.00 H new ATOM 0 HA ASN A 20 6.456 -2.242 7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.978 0.430 6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.953 0.219 7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.585 1.299 8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.404 1.796 7.311 1.00 0.00 H new ATOM 283 N ILE A 21 5.480 -1.344 4.763 1.00 0.00 N ATOM 284 CA ILE A 21 4.309 -1.285 3.876 1.00 0.00 C ATOM 285 C ILE A 21 3.739 -2.687 3.664 1.00 0.00 C ATOM 286 O ILE A 21 2.534 -2.875 3.782 1.00 0.00 O ATOM 287 CB ILE A 21 4.625 -0.591 2.534 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.560 0.643 2.676 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.269 -0.320 1.851 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.237 1.830 1.764 1.00 0.00 C ATOM 0 H ILE A 21 6.367 -1.128 4.307 1.00 0.00 H new ATOM 0 HA ILE A 21 3.551 -0.672 4.364 1.00 0.00 H new ATOM 0 HB ILE A 21 5.224 -1.236 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.526 0.984 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.584 0.325 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.436 0.172 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.749 -1.264 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.663 0.323 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.951 2.634 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.302 1.517 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.228 2.186 1.974 1.00 0.00 H new ATOM 302 N GLU A 22 4.620 -3.666 3.460 1.00 0.00 N ATOM 303 CA GLU A 22 4.286 -5.086 3.450 1.00 0.00 C ATOM 304 C GLU A 22 3.562 -5.478 4.747 1.00 0.00 C ATOM 305 O GLU A 22 2.485 -6.058 4.705 1.00 0.00 O ATOM 306 CB GLU A 22 5.591 -5.875 3.224 1.00 0.00 C ATOM 307 CG GLU A 22 6.105 -5.691 1.782 1.00 0.00 C ATOM 308 CD GLU A 22 6.269 -6.982 0.981 1.00 0.00 C ATOM 309 OE1 GLU A 22 6.721 -7.990 1.560 1.00 0.00 O ATOM 310 OE2 GLU A 22 5.967 -6.925 -0.233 1.00 0.00 O ATOM 0 H GLU A 22 5.610 -3.487 3.293 1.00 0.00 H new ATOM 0 HA GLU A 22 3.593 -5.323 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.350 -5.539 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.419 -6.933 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.416 -5.036 1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.067 -5.180 1.818 1.00 0.00 H new ATOM 317 N SER A 23 4.086 -5.092 5.910 1.00 0.00 N ATOM 318 CA SER A 23 3.510 -5.478 7.205 1.00 0.00 C ATOM 319 C SER A 23 2.176 -4.806 7.558 1.00 0.00 C ATOM 320 O SER A 23 1.247 -5.471 8.020 1.00 0.00 O ATOM 321 CB SER A 23 4.531 -5.169 8.310 1.00 0.00 C ATOM 322 OG SER A 23 5.775 -5.797 8.065 1.00 0.00 O ATOM 0 H SER A 23 4.917 -4.506 5.985 1.00 0.00 H new ATOM 0 HA SER A 23 3.288 -6.542 7.125 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.675 -4.091 8.381 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.139 -5.502 9.271 1.00 0.00 H new ATOM 0 HG SER A 23 6.336 -5.209 7.518 1.00 0.00 H new ATOM 328 N THR A 24 2.088 -3.485 7.376 1.00 0.00 N ATOM 329 CA THR A 24 0.929 -2.655 7.716 1.00 0.00 C ATOM 330 C THR A 24 -0.230 -2.911 6.779 1.00 0.00 C ATOM 331 O THR A 24 -1.375 -2.904 7.225 1.00 0.00 O ATOM 332 CB THR A 24 1.333 -1.174 7.719 1.00 0.00 C ATOM 333 OG1 THR A 24 2.296 -1.010 8.730 1.00 0.00 O ATOM 334 CG2 THR A 24 0.167 -0.241 8.044 1.00 0.00 C ATOM 0 H THR A 24 2.852 -2.944 6.972 1.00 0.00 H new ATOM 0 HA THR A 24 0.590 -2.925 8.716 1.00 0.00 H new ATOM 0 HB THR A 24 1.698 -0.920 6.724 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.182 -1.236 8.378 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.513 0.792 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.620 -0.369 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.226 -0.480 9.032 1.00 0.00 H new ATOM 342 N LEU A 25 0.047 -3.140 5.494 1.00 0.00 N ATOM 343 CA LEU A 25 -0.987 -3.603 4.585 1.00 0.00 C ATOM 344 C LEU A 25 -1.343 -5.064 4.781 1.00 0.00 C ATOM 345 O LEU A 25 -2.529 -5.334 4.902 1.00 0.00 O ATOM 346 CB LEU A 25 -0.616 -3.320 3.136 1.00 0.00 C ATOM 347 CG LEU A 25 -0.474 -1.823 2.779 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.799 -1.665 1.295 1.00 0.00 C ATOM 349 CD2 LEU A 25 -1.420 -0.874 3.525 1.00 0.00 C ATOM 0 H LEU A 25 0.966 -3.013 5.070 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.883 -3.033 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.325 -3.822 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.374 -3.762 2.489 1.00 0.00 H new ATOM 0 HG LEU A 25 0.544 -1.551 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.707 -0.616 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.104 -2.262 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.818 -2.004 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.238 0.151 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.453 -1.145 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.242 -0.952 4.598 1.00 0.00 H new ATOM 361 N SER A 26 -0.403 -6.012 4.835 1.00 0.00 N ATOM 362 CA SER A 26 -0.741 -7.452 4.808 1.00 0.00 C ATOM 363 C SER A 26 -1.374 -7.960 6.125 1.00 0.00 C ATOM 364 O SER A 26 -1.480 -9.161 6.372 1.00 0.00 O ATOM 365 CB SER A 26 0.497 -8.253 4.397 1.00 0.00 C ATOM 366 OG SER A 26 0.178 -9.533 3.877 1.00 0.00 O ATOM 0 H SER A 26 0.596 -5.817 4.898 1.00 0.00 H new ATOM 0 HA SER A 26 -1.521 -7.603 4.062 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.055 -7.691 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.151 -8.370 5.261 1.00 0.00 H new ATOM 0 HG SER A 26 -0.476 -9.970 4.462 1.00 0.00 H new ATOM 372 N ALA A 27 -1.827 -7.032 6.976 1.00 0.00 N ATOM 373 CA ALA A 27 -2.562 -7.283 8.211 1.00 0.00 C ATOM 374 C ALA A 27 -4.034 -6.829 8.125 1.00 0.00 C ATOM 375 O ALA A 27 -4.778 -6.973 9.097 1.00 0.00 O ATOM 376 CB ALA A 27 -1.816 -6.546 9.332 1.00 0.00 C ATOM 0 H ALA A 27 -1.681 -6.036 6.809 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.602 -8.355 8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.332 -6.706 10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.798 -6.929 9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.788 -5.479 9.110 1.00 0.00 H new ATOM 382 N LEU A 28 -4.474 -6.231 7.006 1.00 0.00 N ATOM 383 CA LEU A 28 -5.784 -5.585 6.932 1.00 0.00 C ATOM 384 C LEU A 28 -6.904 -6.621 6.815 1.00 0.00 C ATOM 385 O LEU A 28 -6.826 -7.542 6.000 1.00 0.00 O ATOM 386 CB LEU A 28 -5.819 -4.586 5.763 1.00 0.00 C ATOM 387 CG LEU A 28 -4.863 -3.392 5.940 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.620 -2.686 4.604 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.427 -2.370 6.931 1.00 0.00 C ATOM 0 H LEU A 28 -3.936 -6.184 6.141 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.950 -5.033 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.565 -5.110 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.836 -4.212 5.647 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.925 -3.791 6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.942 -1.846 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.177 -3.388 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.568 -2.321 4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.729 -1.539 7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.383 -1.997 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.571 -2.845 7.901 1.00 0.00 H new ATOM 401 N GLN A 29 -7.993 -6.408 7.560 1.00 0.00 N ATOM 402 CA GLN A 29 -9.164 -7.293 7.683 1.00 0.00 C ATOM 403 C GLN A 29 -10.047 -7.361 6.410 1.00 0.00 C ATOM 404 O GLN A 29 -11.261 -7.536 6.479 1.00 0.00 O ATOM 405 CB GLN A 29 -9.956 -6.848 8.926 1.00 0.00 C ATOM 406 CG GLN A 29 -10.837 -7.960 9.521 1.00 0.00 C ATOM 407 CD GLN A 29 -11.999 -7.362 10.302 1.00 0.00 C ATOM 408 OE1 GLN A 29 -11.966 -7.233 11.511 1.00 0.00 O ATOM 409 NE2 GLN A 29 -13.044 -6.926 9.635 1.00 0.00 N ATOM 0 H GLN A 29 -8.090 -5.566 8.127 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.814 -8.319 7.801 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.257 -6.502 9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.586 -5.999 8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.218 -8.596 8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.239 -8.594 10.176 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.081 -7.029 8.621 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.818 -6.484 10.131 1.00 0.00 H new ATOM 418 N TYR A 30 -9.421 -7.207 5.247 1.00 0.00 N ATOM 419 CA TYR A 30 -9.967 -7.358 3.905 1.00 0.00 C ATOM 420 C TYR A 30 -8.907 -7.655 2.829 1.00 0.00 C ATOM 421 O TYR A 30 -9.294 -7.796 1.677 1.00 0.00 O ATOM 422 CB TYR A 30 -10.765 -6.102 3.512 1.00 0.00 C ATOM 423 CG TYR A 30 -10.133 -4.741 3.801 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.790 -4.447 3.473 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.925 -3.734 4.393 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.268 -3.164 3.696 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.401 -2.449 4.631 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.069 -2.155 4.272 1.00 0.00 C ATOM 429 OH TYR A 30 -8.563 -0.910 4.489 1.00 0.00 O ATOM 0 H TYR A 30 -8.434 -6.951 5.219 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.620 -8.230 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.971 -6.156 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.726 -6.141 4.024 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.161 -5.215 3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.947 -3.952 4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.245 -2.947 3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.018 -1.689 5.088 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.253 -0.342 4.891 1.00 0.00 H new ATOM 439 N VAL A 31 -7.597 -7.700 3.127 1.00 0.00 N ATOM 440 CA VAL A 31 -6.567 -7.912 2.093 1.00 0.00 C ATOM 441 C VAL A 31 -6.146 -9.382 2.109 1.00 0.00 C ATOM 442 O VAL A 31 -6.050 -9.977 3.180 1.00 0.00 O ATOM 443 CB VAL A 31 -5.379 -6.931 2.207 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.478 -7.256 3.350 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.467 -6.872 0.968 1.00 0.00 C ATOM 0 H VAL A 31 -7.227 -7.593 4.071 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.997 -7.685 1.117 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.882 -5.973 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.660 -6.536 3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.041 -7.210 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.073 -8.260 3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.663 -6.157 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.042 -7.858 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.050 -6.559 0.102 1.00 0.00 H new ATOM 455 N SER A 32 -5.918 -9.975 0.939 1.00 0.00 N ATOM 456 CA SER A 32 -5.523 -11.388 0.832 1.00 0.00 C ATOM 457 C SER A 32 -4.089 -11.590 0.314 1.00 0.00 C ATOM 458 O SER A 32 -3.597 -12.718 0.328 1.00 0.00 O ATOM 459 CB SER A 32 -6.518 -12.147 -0.053 1.00 0.00 C ATOM 460 OG SER A 32 -6.358 -13.536 0.174 1.00 0.00 O ATOM 0 H SER A 32 -6.000 -9.498 0.041 1.00 0.00 H new ATOM 0 HA SER A 32 -5.541 -11.790 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.539 -11.841 0.177 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.345 -11.913 -1.103 1.00 0.00 H new ATOM 0 HG SER A 32 -5.437 -13.717 0.456 1.00 0.00 H new ATOM 466 N SER A 33 -3.410 -10.531 -0.147 1.00 0.00 N ATOM 467 CA SER A 33 -2.044 -10.540 -0.689 1.00 0.00 C ATOM 468 C SER A 33 -1.519 -9.141 -1.052 1.00 0.00 C ATOM 469 O SER A 33 -2.239 -8.143 -1.071 1.00 0.00 O ATOM 470 CB SER A 33 -1.941 -11.478 -1.900 1.00 0.00 C ATOM 471 OG SER A 33 -1.646 -12.786 -1.463 1.00 0.00 O ATOM 0 H SER A 33 -3.819 -9.597 -0.152 1.00 0.00 H new ATOM 0 HA SER A 33 -1.407 -10.913 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.878 -11.473 -2.457 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.164 -11.127 -2.579 1.00 0.00 H new ATOM 0 HG SER A 33 -2.385 -13.122 -0.914 1.00 0.00 H new ATOM 477 N ILE A 34 -0.236 -9.088 -1.386 1.00 0.00 N ATOM 478 CA ILE A 34 0.588 -7.895 -1.613 1.00 0.00 C ATOM 479 C ILE A 34 1.985 -8.300 -2.098 1.00 0.00 C ATOM 480 O ILE A 34 2.421 -9.412 -1.816 1.00 0.00 O ATOM 481 CB ILE A 34 0.683 -7.031 -0.321 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.465 -5.716 -0.550 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.313 -7.810 0.851 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.251 -4.683 0.553 1.00 0.00 C ATOM 0 H ILE A 34 0.304 -9.944 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 34 0.113 -7.291 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.344 -6.778 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.529 -5.943 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.164 -5.285 -1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.359 -7.169 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.706 -8.687 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.320 -8.125 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.828 -3.786 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.193 -4.428 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.579 -5.096 1.507 1.00 0.00 H new ATOM 496 N VAL A 35 2.637 -7.392 -2.819 1.00 0.00 N ATOM 497 CA VAL A 35 4.066 -7.371 -3.152 1.00 0.00 C ATOM 498 C VAL A 35 4.494 -5.918 -3.236 1.00 0.00 C ATOM 499 O VAL A 35 3.914 -5.137 -3.991 1.00 0.00 O ATOM 500 CB VAL A 35 4.404 -8.051 -4.495 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.807 -7.706 -5.041 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.366 -9.569 -4.309 1.00 0.00 C ATOM 0 H VAL A 35 2.148 -6.591 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 35 4.591 -7.929 -2.376 1.00 0.00 H new ATOM 0 HB VAL A 35 3.664 -7.685 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.967 -8.223 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.882 -6.630 -5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.564 -8.021 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.604 -10.057 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.097 -9.862 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.370 -9.871 -3.985 1.00 0.00 H new ATOM 512 N VAL A 36 5.537 -5.574 -2.497 1.00 0.00 N ATOM 513 CA VAL A 36 6.217 -4.283 -2.645 1.00 0.00 C ATOM 514 C VAL A 36 7.358 -4.411 -3.644 1.00 0.00 C ATOM 515 O VAL A 36 8.173 -5.333 -3.601 1.00 0.00 O ATOM 516 CB VAL A 36 6.693 -3.695 -1.306 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.636 -2.496 -1.485 1.00 0.00 C ATOM 518 CG2 VAL A 36 5.498 -3.131 -0.533 1.00 0.00 C ATOM 0 H VAL A 36 5.940 -6.175 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 36 5.488 -3.570 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 36 7.200 -4.512 -0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.939 -2.123 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.518 -2.807 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.120 -1.706 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.841 -2.716 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.021 -2.347 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.780 -3.928 -0.341 1.00 0.00 H new ATOM 528 N SER A 37 7.422 -3.431 -4.543 1.00 0.00 N ATOM 529 CA SER A 37 8.560 -3.244 -5.429 1.00 0.00 C ATOM 530 C SER A 37 9.769 -2.767 -4.615 1.00 0.00 C ATOM 531 O SER A 37 9.957 -1.566 -4.461 1.00 0.00 O ATOM 532 CB SER A 37 8.224 -2.208 -6.506 1.00 0.00 C ATOM 533 OG SER A 37 7.474 -2.775 -7.561 1.00 0.00 O ATOM 0 H SER A 37 6.680 -2.743 -4.675 1.00 0.00 H new ATOM 0 HA SER A 37 8.796 -4.193 -5.912 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.661 -1.388 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.146 -1.783 -6.902 1.00 0.00 H new ATOM 0 HG SER A 37 7.276 -2.086 -8.229 1.00 0.00 H new ATOM 539 N LEU A 38 10.583 -3.704 -4.105 1.00 0.00 N ATOM 540 CA LEU A 38 11.721 -3.497 -3.201 1.00 0.00 C ATOM 541 C LEU A 38 12.604 -2.343 -3.651 1.00 0.00 C ATOM 542 O LEU A 38 13.049 -1.547 -2.831 1.00 0.00 O ATOM 543 CB LEU A 38 12.528 -4.817 -3.178 1.00 0.00 C ATOM 544 CG LEU A 38 13.503 -5.117 -2.022 1.00 0.00 C ATOM 545 CD1 LEU A 38 14.843 -4.420 -2.222 1.00 0.00 C ATOM 546 CD2 LEU A 38 12.945 -4.801 -0.634 1.00 0.00 C ATOM 0 H LEU A 38 10.454 -4.691 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 38 11.359 -3.236 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.808 -5.635 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.103 -4.859 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 38 13.651 -6.196 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.504 -4.655 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.297 -4.763 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.689 -3.342 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.693 -5.040 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.695 -3.742 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.048 -5.395 -0.458 1.00 0.00 H new ATOM 558 N GLU A 39 12.878 -2.283 -4.953 1.00 0.00 N ATOM 559 CA GLU A 39 13.675 -1.254 -5.578 1.00 0.00 C ATOM 560 C GLU A 39 13.012 0.127 -5.443 1.00 0.00 C ATOM 561 O GLU A 39 13.618 1.050 -4.896 1.00 0.00 O ATOM 562 CB GLU A 39 13.910 -1.701 -7.026 1.00 0.00 C ATOM 563 CG GLU A 39 14.944 -0.870 -7.780 1.00 0.00 C ATOM 564 CD GLU A 39 14.260 0.216 -8.600 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.059 1.319 -8.048 1.00 0.00 O ATOM 566 OE2 GLU A 39 13.827 -0.110 -9.723 1.00 0.00 O ATOM 0 H GLU A 39 12.535 -2.978 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 39 14.640 -1.131 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.230 -2.743 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.964 -1.658 -7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.640 -0.417 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.529 -1.515 -8.436 1.00 0.00 H new ATOM 573 N ASN A 40 11.750 0.212 -5.857 1.00 0.00 N ATOM 574 CA ASN A 40 10.931 1.418 -5.967 1.00 0.00 C ATOM 575 C ASN A 40 10.349 1.904 -4.622 1.00 0.00 C ATOM 576 O ASN A 40 10.588 1.376 -3.537 1.00 0.00 O ATOM 577 CB ASN A 40 9.770 1.166 -6.954 1.00 0.00 C ATOM 578 CG ASN A 40 10.168 0.523 -8.270 1.00 0.00 C ATOM 579 OD1 ASN A 40 9.411 -0.273 -8.811 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.337 0.838 -8.785 1.00 0.00 N ATOM 0 H ASN A 40 11.235 -0.620 -6.145 1.00 0.00 H new ATOM 0 HA ASN A 40 11.595 2.204 -6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.031 0.530 -6.466 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.282 2.117 -7.166 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.638 0.415 -9.663 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.942 1.505 -8.306 1.00 0.00 H new ATOM 587 N ARG A 41 9.509 2.941 -4.730 1.00 0.00 N ATOM 588 CA ARG A 41 8.651 3.468 -3.665 1.00 0.00 C ATOM 589 C ARG A 41 7.161 3.074 -3.827 1.00 0.00 C ATOM 590 O ARG A 41 6.271 3.887 -3.567 1.00 0.00 O ATOM 591 CB ARG A 41 8.862 4.988 -3.565 1.00 0.00 C ATOM 592 CG ARG A 41 8.465 5.789 -4.822 1.00 0.00 C ATOM 593 CD ARG A 41 9.639 6.128 -5.760 1.00 0.00 C ATOM 594 NE ARG A 41 9.404 7.377 -6.526 1.00 0.00 N ATOM 595 CZ ARG A 41 9.207 8.607 -6.043 1.00 0.00 C ATOM 596 NH1 ARG A 41 9.268 8.908 -4.768 1.00 0.00 N ATOM 597 NH2 ARG A 41 8.905 9.605 -6.844 1.00 0.00 N ATOM 0 H ARG A 41 9.405 3.458 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 41 8.945 3.007 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.288 5.364 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.913 5.180 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.723 5.219 -5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.986 6.717 -4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.552 6.230 -5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.797 5.303 -6.454 1.00 0.00 H new ATOM 0 HE ARG A 41 9.391 7.286 -7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.476 8.182 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.108 9.868 -4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.818 9.445 -7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.757 10.539 -6.462 1.00 0.00 H new ATOM 611 N SER A 42 6.846 1.868 -4.302 1.00 0.00 N ATOM 612 CA SER A 42 5.478 1.481 -4.713 1.00 0.00 C ATOM 613 C SER A 42 5.116 0.020 -4.397 1.00 0.00 C ATOM 614 O SER A 42 5.992 -0.834 -4.302 1.00 0.00 O ATOM 615 CB SER A 42 5.263 1.772 -6.212 1.00 0.00 C ATOM 616 OG SER A 42 6.450 1.694 -6.987 1.00 0.00 O ATOM 0 H SER A 42 7.531 1.121 -4.417 1.00 0.00 H new ATOM 0 HA SER A 42 4.804 2.094 -4.114 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.534 1.065 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.834 2.768 -6.321 1.00 0.00 H new ATOM 0 HG SER A 42 6.242 1.887 -7.925 1.00 0.00 H new ATOM 622 N ALA A 43 3.815 -0.263 -4.248 1.00 0.00 N ATOM 623 CA ALA A 43 3.254 -1.522 -3.756 1.00 0.00 C ATOM 624 C ALA A 43 2.086 -1.965 -4.639 1.00 0.00 C ATOM 625 O ALA A 43 1.216 -1.160 -4.966 1.00 0.00 O ATOM 626 CB ALA A 43 2.766 -1.277 -2.316 1.00 0.00 C ATOM 0 H ALA A 43 3.091 0.417 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 43 4.007 -2.310 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.340 -2.197 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.606 -0.965 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.006 -0.496 -2.317 1.00 0.00 H new ATOM 632 N ILE A 44 2.051 -3.245 -4.993 1.00 0.00 N ATOM 633 CA ILE A 44 0.962 -3.914 -5.704 1.00 0.00 C ATOM 634 C ILE A 44 0.241 -4.742 -4.638 1.00 0.00 C ATOM 635 O ILE A 44 0.866 -5.584 -3.993 1.00 0.00 O ATOM 636 CB ILE A 44 1.532 -4.778 -6.850 1.00 0.00 C ATOM 637 CG1 ILE A 44 2.372 -3.907 -7.819 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.372 -5.470 -7.592 1.00 0.00 C ATOM 639 CD1 ILE A 44 3.124 -4.716 -8.880 1.00 0.00 C ATOM 0 H ILE A 44 2.821 -3.879 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 44 0.269 -3.220 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 44 2.191 -5.542 -6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.714 -3.195 -8.317 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.091 -3.326 -7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.771 -6.081 -8.402 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.178 -6.104 -6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.298 -4.715 -8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.689 -4.039 -9.521 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.809 -5.409 -8.391 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.410 -5.276 -9.484 1.00 0.00 H new ATOM 651 N VAL A 45 -1.038 -4.462 -4.413 1.00 0.00 N ATOM 652 CA VAL A 45 -1.817 -4.961 -3.265 1.00 0.00 C ATOM 653 C VAL A 45 -3.084 -5.661 -3.758 1.00 0.00 C ATOM 654 O VAL A 45 -3.712 -5.165 -4.688 1.00 0.00 O ATOM 655 CB VAL A 45 -2.210 -3.792 -2.339 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.748 -4.326 -1.000 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.051 -2.819 -2.052 1.00 0.00 C ATOM 0 H VAL A 45 -1.584 -3.867 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.202 -5.669 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.981 -3.237 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.021 -3.489 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.626 -4.945 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.978 -4.923 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.399 -2.022 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.235 -3.357 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.697 -2.388 -2.989 1.00 0.00 H new ATOM 667 N VAL A 46 -3.458 -6.781 -3.135 1.00 0.00 N ATOM 668 CA VAL A 46 -4.491 -7.720 -3.602 1.00 0.00 C ATOM 669 C VAL A 46 -5.506 -7.954 -2.470 1.00 0.00 C ATOM 670 O VAL A 46 -5.160 -8.531 -1.442 1.00 0.00 O ATOM 671 CB VAL A 46 -3.812 -9.055 -4.004 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.778 -10.092 -4.586 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.613 -8.880 -4.961 1.00 0.00 C ATOM 0 H VAL A 46 -3.034 -7.074 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.014 -7.311 -4.467 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.438 -9.436 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.228 -10.998 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.544 -10.330 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.249 -9.688 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.190 -9.857 -5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.948 -8.398 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.853 -8.262 -4.483 1.00 0.00 H new ATOM 683 N TYR A 47 -6.754 -7.498 -2.625 1.00 0.00 N ATOM 684 CA TYR A 47 -7.744 -7.430 -1.534 1.00 0.00 C ATOM 685 C TYR A 47 -9.119 -8.026 -1.895 1.00 0.00 C ATOM 686 O TYR A 47 -9.579 -7.938 -3.034 1.00 0.00 O ATOM 687 CB TYR A 47 -7.852 -5.975 -1.049 1.00 0.00 C ATOM 688 CG TYR A 47 -8.470 -5.007 -2.044 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.690 -4.449 -3.074 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.826 -4.648 -1.930 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.242 -3.505 -3.959 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.395 -3.729 -2.835 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.597 -3.129 -3.832 1.00 0.00 C ATOM 694 OH TYR A 47 -10.129 -2.183 -4.655 1.00 0.00 O ATOM 0 H TYR A 47 -7.113 -7.161 -3.519 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.385 -8.063 -0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.443 -5.957 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.854 -5.619 -0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.658 -4.748 -3.186 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.433 -5.078 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.630 -3.068 -4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.444 -3.484 -2.765 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.073 -2.047 -4.430 1.00 0.00 H new ATOM 704 N ASN A 48 -9.825 -8.595 -0.918 1.00 0.00 N ATOM 705 CA ASN A 48 -11.004 -9.433 -1.158 1.00 0.00 C ATOM 706 C ASN A 48 -12.308 -8.624 -1.162 1.00 0.00 C ATOM 707 O ASN A 48 -13.086 -8.635 -0.213 1.00 0.00 O ATOM 708 CB ASN A 48 -11.021 -10.590 -0.137 1.00 0.00 C ATOM 709 CG ASN A 48 -11.925 -11.737 -0.580 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.081 -11.851 -0.197 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.420 -12.613 -1.425 1.00 0.00 N ATOM 0 H ASN A 48 -9.595 -8.488 0.070 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.935 -9.858 -2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.006 -10.963 0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.360 -10.215 0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.993 -13.387 -1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.456 -12.517 -1.744 1.00 0.00 H new ATOM 718 N ALA A 49 -12.534 -7.866 -2.236 1.00 0.00 N ATOM 719 CA ALA A 49 -13.674 -6.961 -2.378 1.00 0.00 C ATOM 720 C ALA A 49 -13.916 -6.596 -3.850 1.00 0.00 C ATOM 721 O ALA A 49 -13.440 -7.268 -4.758 1.00 0.00 O ATOM 722 CB ALA A 49 -13.403 -5.731 -1.501 1.00 0.00 C ATOM 0 H ALA A 49 -11.916 -7.865 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.592 -7.444 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.237 -5.034 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.292 -6.042 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.487 -5.242 -1.833 1.00 0.00 H new ATOM 728 N SER A 50 -14.665 -5.522 -4.088 1.00 0.00 N ATOM 729 CA SER A 50 -14.953 -4.902 -5.388 1.00 0.00 C ATOM 730 C SER A 50 -15.802 -3.650 -5.165 1.00 0.00 C ATOM 731 O SER A 50 -15.427 -2.557 -5.575 1.00 0.00 O ATOM 732 CB SER A 50 -15.683 -5.869 -6.330 1.00 0.00 C ATOM 733 OG SER A 50 -14.767 -6.725 -6.977 1.00 0.00 O ATOM 0 H SER A 50 -15.122 -5.023 -3.325 1.00 0.00 H new ATOM 0 HA SER A 50 -14.007 -4.638 -5.861 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.403 -6.460 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.247 -5.304 -7.072 1.00 0.00 H new ATOM 0 HG SER A 50 -13.991 -6.872 -6.397 1.00 0.00 H new ATOM 739 N SER A 51 -16.902 -3.757 -4.417 1.00 0.00 N ATOM 740 CA SER A 51 -17.779 -2.634 -4.055 1.00 0.00 C ATOM 741 C SER A 51 -17.162 -1.734 -2.961 1.00 0.00 C ATOM 742 O SER A 51 -17.760 -1.531 -1.907 1.00 0.00 O ATOM 743 CB SER A 51 -19.149 -3.194 -3.645 1.00 0.00 C ATOM 744 OG SER A 51 -19.010 -4.096 -2.562 1.00 0.00 O ATOM 0 H SER A 51 -17.218 -4.648 -4.035 1.00 0.00 H new ATOM 0 HA SER A 51 -17.902 -1.985 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.813 -2.377 -3.363 1.00 0.00 H new ATOM 0 HB3 SER A 51 -19.610 -3.702 -4.492 1.00 0.00 H new ATOM 0 HG SER A 51 -18.609 -3.631 -1.798 1.00 0.00 H new ATOM 750 N VAL A 52 -15.949 -1.229 -3.196 1.00 0.00 N ATOM 751 CA VAL A 52 -15.164 -0.384 -2.279 1.00 0.00 C ATOM 752 C VAL A 52 -14.018 0.278 -3.049 1.00 0.00 C ATOM 753 O VAL A 52 -13.527 -0.277 -4.035 1.00 0.00 O ATOM 754 CB VAL A 52 -14.648 -1.173 -1.044 1.00 0.00 C ATOM 755 CG1 VAL A 52 -13.559 -2.192 -1.420 1.00 0.00 C ATOM 756 CG2 VAL A 52 -14.123 -0.241 0.061 1.00 0.00 C ATOM 0 H VAL A 52 -15.459 -1.404 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 52 -15.819 0.392 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 52 -15.511 -1.716 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -13.229 -2.719 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -13.963 -2.909 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.712 -1.671 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.773 -0.837 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.298 0.356 -0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.925 0.419 0.392 1.00 0.00 H new ATOM 766 N THR A 53 -13.605 1.469 -2.610 1.00 0.00 N ATOM 767 CA THR A 53 -12.561 2.266 -3.260 1.00 0.00 C ATOM 768 C THR A 53 -11.146 1.796 -2.872 1.00 0.00 C ATOM 769 O THR A 53 -10.909 1.501 -1.692 1.00 0.00 O ATOM 770 CB THR A 53 -12.782 3.759 -2.996 1.00 0.00 C ATOM 771 OG1 THR A 53 -11.686 4.481 -3.502 1.00 0.00 O ATOM 772 CG2 THR A 53 -12.958 4.102 -1.517 1.00 0.00 C ATOM 0 H THR A 53 -13.993 1.915 -1.779 1.00 0.00 H new ATOM 0 HA THR A 53 -12.638 2.110 -4.336 1.00 0.00 H new ATOM 0 HB THR A 53 -13.711 4.031 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.821 5.438 -3.338 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.110 5.176 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.824 3.571 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.066 3.804 -0.966 1.00 0.00 H new ATOM 780 N PRO A 54 -10.181 1.787 -3.821 1.00 0.00 N ATOM 781 CA PRO A 54 -8.760 1.578 -3.532 1.00 0.00 C ATOM 782 C PRO A 54 -8.178 2.673 -2.628 1.00 0.00 C ATOM 783 O PRO A 54 -7.131 2.449 -2.026 1.00 0.00 O ATOM 784 CB PRO A 54 -8.064 1.522 -4.897 1.00 0.00 C ATOM 785 CG PRO A 54 -8.971 2.355 -5.794 1.00 0.00 C ATOM 786 CD PRO A 54 -10.359 2.038 -5.248 1.00 0.00 C ATOM 0 HA PRO A 54 -8.606 0.656 -2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.056 1.935 -4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.972 0.498 -5.259 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.742 3.419 -5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.874 2.074 -6.843 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.044 2.869 -5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.786 1.168 -5.747 1.00 0.00 H new ATOM 794 N GLU A 55 -8.870 3.812 -2.456 1.00 0.00 N ATOM 795 CA GLU A 55 -8.547 4.842 -1.458 1.00 0.00 C ATOM 796 C GLU A 55 -8.381 4.239 -0.044 1.00 0.00 C ATOM 797 O GLU A 55 -7.661 4.792 0.778 1.00 0.00 O ATOM 798 CB GLU A 55 -9.676 5.893 -1.483 1.00 0.00 C ATOM 799 CG GLU A 55 -9.481 7.169 -0.651 1.00 0.00 C ATOM 800 CD GLU A 55 -8.503 8.182 -1.246 1.00 0.00 C ATOM 801 OE1 GLU A 55 -7.821 7.885 -2.253 1.00 0.00 O ATOM 802 OE2 GLU A 55 -8.390 9.279 -0.663 1.00 0.00 O ATOM 0 H GLU A 55 -9.687 4.046 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.592 5.305 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.835 6.190 -2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.592 5.409 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.449 7.653 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.131 6.888 0.342 1.00 0.00 H new ATOM 809 N SER A 56 -8.980 3.078 0.245 1.00 0.00 N ATOM 810 CA SER A 56 -8.853 2.387 1.537 1.00 0.00 C ATOM 811 C SER A 56 -7.445 1.834 1.793 1.00 0.00 C ATOM 812 O SER A 56 -6.896 1.999 2.885 1.00 0.00 O ATOM 813 CB SER A 56 -9.869 1.236 1.603 1.00 0.00 C ATOM 814 OG SER A 56 -9.718 0.325 0.519 1.00 0.00 O ATOM 0 H SER A 56 -9.575 2.584 -0.420 1.00 0.00 H new ATOM 0 HA SER A 56 -9.050 3.128 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.749 0.701 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.880 1.644 1.595 1.00 0.00 H new ATOM 0 HG SER A 56 -10.157 0.689 -0.278 1.00 0.00 H new ATOM 820 N LEU A 57 -6.834 1.189 0.794 1.00 0.00 N ATOM 821 CA LEU A 57 -5.466 0.693 0.899 1.00 0.00 C ATOM 822 C LEU A 57 -4.477 1.858 0.903 1.00 0.00 C ATOM 823 O LEU A 57 -3.594 1.885 1.753 1.00 0.00 O ATOM 824 CB LEU A 57 -5.161 -0.271 -0.250 1.00 0.00 C ATOM 825 CG LEU A 57 -6.041 -1.532 -0.350 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.542 -2.337 -1.556 1.00 0.00 C ATOM 827 CD2 LEU A 57 -5.988 -2.434 0.893 1.00 0.00 C ATOM 0 H LEU A 57 -7.276 0.999 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.361 0.151 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.247 0.279 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.122 -0.588 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.076 -1.205 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.141 -3.242 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.633 -1.733 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.497 -2.609 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.634 -3.299 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.964 -2.770 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.328 -1.874 1.764 1.00 0.00 H new ATOM 839 N ARG A 58 -4.668 2.855 0.028 1.00 0.00 N ATOM 840 CA ARG A 58 -3.909 4.103 0.017 1.00 0.00 C ATOM 841 C ARG A 58 -3.840 4.717 1.422 1.00 0.00 C ATOM 842 O ARG A 58 -2.758 5.010 1.925 1.00 0.00 O ATOM 843 CB ARG A 58 -4.622 5.046 -0.957 1.00 0.00 C ATOM 844 CG ARG A 58 -3.987 6.437 -1.036 1.00 0.00 C ATOM 845 CD ARG A 58 -5.042 7.496 -1.339 1.00 0.00 C ATOM 846 NE ARG A 58 -4.621 8.810 -0.850 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.117 9.976 -1.217 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.054 10.097 -2.131 1.00 0.00 N ATOM 849 NH2 ARG A 58 -4.652 11.032 -0.594 1.00 0.00 N ATOM 0 H ARG A 58 -5.373 2.810 -0.708 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.880 3.927 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.621 4.598 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.664 5.148 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.491 6.670 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.220 6.449 -1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.217 7.543 -2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.987 7.216 -0.874 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.871 8.826 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.429 9.267 -2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.406 11.021 -2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.944 10.925 0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.998 11.960 -0.836 1.00 0.00 H new ATOM 863 N LYS A 59 -4.983 4.886 2.086 1.00 0.00 N ATOM 864 CA LYS A 59 -5.056 5.393 3.459 1.00 0.00 C ATOM 865 C LYS A 59 -4.417 4.459 4.507 1.00 0.00 C ATOM 866 O LYS A 59 -3.839 4.961 5.466 1.00 0.00 O ATOM 867 CB LYS A 59 -6.522 5.720 3.780 1.00 0.00 C ATOM 868 CG LYS A 59 -6.886 7.195 3.529 1.00 0.00 C ATOM 869 CD LYS A 59 -6.544 7.712 2.120 1.00 0.00 C ATOM 870 CE LYS A 59 -7.000 9.152 1.869 1.00 0.00 C ATOM 871 NZ LYS A 59 -6.301 10.123 2.739 1.00 0.00 N ATOM 0 H LYS A 59 -5.895 4.673 1.683 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.454 6.300 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.169 5.085 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.721 5.476 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.955 7.325 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.369 7.813 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.466 7.650 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.007 7.059 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.823 9.410 0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.074 9.225 2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.996 10.627 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.631 9.619 3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.784 10.807 2.150 1.00 0.00 H new ATOM 885 N ALA A 60 -4.419 3.133 4.319 1.00 0.00 N ATOM 886 CA ALA A 60 -3.650 2.228 5.184 1.00 0.00 C ATOM 887 C ALA A 60 -2.131 2.407 5.003 1.00 0.00 C ATOM 888 O ALA A 60 -1.382 2.328 5.973 1.00 0.00 O ATOM 889 CB ALA A 60 -4.093 0.789 4.912 1.00 0.00 C ATOM 0 H ALA A 60 -4.942 2.664 3.579 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.854 2.474 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.528 0.108 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.157 0.689 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.910 0.543 3.866 1.00 0.00 H new ATOM 895 N ILE A 61 -1.681 2.733 3.782 1.00 0.00 N ATOM 896 CA ILE A 61 -0.298 3.124 3.500 1.00 0.00 C ATOM 897 C ILE A 61 0.018 4.440 4.200 1.00 0.00 C ATOM 898 O ILE A 61 0.929 4.457 5.018 1.00 0.00 O ATOM 899 CB ILE A 61 0.005 3.191 1.978 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.253 1.869 1.247 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.467 3.575 1.747 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.033 1.903 -0.274 1.00 0.00 C ATOM 0 H ILE A 61 -2.277 2.731 2.955 1.00 0.00 H new ATOM 0 HA ILE A 61 0.358 2.349 3.897 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.675 3.942 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.396 1.105 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.280 1.560 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.667 3.619 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.662 4.551 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.116 2.830 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.242 0.919 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.701 2.638 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.001 2.176 -0.486 1.00 0.00 H new ATOM 914 N GLU A 62 -0.758 5.504 3.957 1.00 0.00 N ATOM 915 CA GLU A 62 -0.589 6.794 4.628 1.00 0.00 C ATOM 916 C GLU A 62 -0.441 6.614 6.146 1.00 0.00 C ATOM 917 O GLU A 62 0.397 7.273 6.747 1.00 0.00 O ATOM 918 CB GLU A 62 -1.789 7.722 4.363 1.00 0.00 C ATOM 919 CG GLU A 62 -1.956 8.274 2.934 1.00 0.00 C ATOM 920 CD GLU A 62 -3.236 9.102 2.754 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.001 9.277 3.721 1.00 0.00 O ATOM 922 OE2 GLU A 62 -3.550 9.542 1.620 1.00 0.00 O ATOM 0 H GLU A 62 -1.525 5.491 3.285 1.00 0.00 H new ATOM 0 HA GLU A 62 0.317 7.243 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.698 7.180 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.717 8.569 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.093 8.892 2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.966 7.443 2.229 1.00 0.00 H new ATOM 929 N ALA A 63 -1.166 5.667 6.758 1.00 0.00 N ATOM 930 CA ALA A 63 -1.233 5.468 8.209 1.00 0.00 C ATOM 931 C ALA A 63 0.001 4.782 8.827 1.00 0.00 C ATOM 932 O ALA A 63 0.010 4.526 10.029 1.00 0.00 O ATOM 933 CB ALA A 63 -2.537 4.718 8.523 1.00 0.00 C ATOM 0 H ALA A 63 -1.738 5.000 6.240 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.230 6.450 8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.614 4.556 9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.388 5.309 8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.536 3.756 8.010 1.00 0.00 H new ATOM 939 N VAL A 64 1.033 4.526 8.020 1.00 0.00 N ATOM 940 CA VAL A 64 2.334 3.980 8.439 1.00 0.00 C ATOM 941 C VAL A 64 3.384 5.078 8.615 1.00 0.00 C ATOM 942 O VAL A 64 4.201 5.003 9.528 1.00 0.00 O ATOM 943 CB VAL A 64 2.829 2.884 7.470 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.645 3.332 6.270 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.696 1.885 8.240 1.00 0.00 C ATOM 0 H VAL A 64 0.987 4.699 7.016 1.00 0.00 H new ATOM 0 HA VAL A 64 2.183 3.516 9.414 1.00 0.00 H new ATOM 0 HB VAL A 64 1.905 2.469 7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.926 2.462 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.051 4.012 5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.544 3.844 6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.048 1.109 7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.551 2.404 8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.107 1.430 9.036 1.00 0.00 H new ATOM 955 N SER A 65 3.321 6.137 7.798 1.00 0.00 N ATOM 956 CA SER A 65 4.118 7.346 8.015 1.00 0.00 C ATOM 957 C SER A 65 3.315 8.636 7.713 1.00 0.00 C ATOM 958 O SER A 65 3.669 9.398 6.805 1.00 0.00 O ATOM 959 CB SER A 65 5.486 7.281 7.315 1.00 0.00 C ATOM 960 OG SER A 65 6.028 5.996 7.067 1.00 0.00 O ATOM 0 H SER A 65 2.720 6.178 6.975 1.00 0.00 H new ATOM 0 HA SER A 65 4.349 7.393 9.079 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.402 7.802 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.201 7.838 7.920 1.00 0.00 H new ATOM 0 HG SER A 65 5.862 5.746 6.134 1.00 0.00 H new ATOM 966 N PRO A 66 2.217 8.886 8.453 1.00 0.00 N ATOM 967 CA PRO A 66 1.264 9.955 8.162 1.00 0.00 C ATOM 968 C PRO A 66 1.894 11.349 8.235 1.00 0.00 C ATOM 969 O PRO A 66 2.715 11.630 9.104 1.00 0.00 O ATOM 970 CB PRO A 66 0.102 9.776 9.150 1.00 0.00 C ATOM 971 CG PRO A 66 0.687 8.908 10.266 1.00 0.00 C ATOM 972 CD PRO A 66 1.679 8.036 9.504 1.00 0.00 C ATOM 0 HA PRO A 66 0.910 9.883 7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.246 10.735 9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.752 9.293 8.676 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.176 9.507 11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.079 8.314 10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.471 7.676 10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.188 7.157 9.085 1.00 0.00 H new ATOM 980 N GLY A 67 1.506 12.215 7.291 1.00 0.00 N ATOM 981 CA GLY A 67 2.039 13.578 7.118 1.00 0.00 C ATOM 982 C GLY A 67 3.315 13.647 6.269 1.00 0.00 C ATOM 983 O GLY A 67 3.610 14.693 5.695 1.00 0.00 O ATOM 0 H GLY A 67 0.790 11.982 6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.273 14.200 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.245 14.004 8.100 1.00 0.00 H new ATOM 987 N LEU A 68 4.039 12.530 6.155 1.00 0.00 N ATOM 988 CA LEU A 68 5.239 12.350 5.330 1.00 0.00 C ATOM 989 C LEU A 68 4.898 11.587 4.038 1.00 0.00 C ATOM 990 O LEU A 68 5.286 11.983 2.940 1.00 0.00 O ATOM 991 CB LEU A 68 6.269 11.638 6.230 1.00 0.00 C ATOM 992 CG LEU A 68 7.516 11.045 5.551 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.276 12.038 4.665 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.461 10.554 6.652 1.00 0.00 C ATOM 0 H LEU A 68 3.791 11.681 6.663 1.00 0.00 H new ATOM 0 HA LEU A 68 5.659 13.294 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.603 12.349 6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.757 10.832 6.755 1.00 0.00 H new ATOM 0 HG LEU A 68 7.176 10.243 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.141 11.543 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.619 12.396 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.610 12.882 5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.356 10.127 6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.741 11.391 7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.959 9.793 7.250 1.00 0.00 H new ATOM 1006 N TYR A 69 4.132 10.502 4.153 1.00 0.00 N ATOM 1007 CA TYR A 69 3.748 9.622 3.047 1.00 0.00 C ATOM 1008 C TYR A 69 2.853 10.286 1.983 1.00 0.00 C ATOM 1009 O TYR A 69 1.624 10.354 2.089 1.00 0.00 O ATOM 1010 CB TYR A 69 3.097 8.350 3.616 1.00 0.00 C ATOM 1011 CG TYR A 69 4.006 7.145 3.759 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.396 7.253 3.975 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.431 5.871 3.629 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.176 6.088 4.115 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.221 4.719 3.638 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.586 4.818 3.932 1.00 0.00 C ATOM 1017 OH TYR A 69 6.280 3.672 4.116 1.00 0.00 O ATOM 0 H TYR A 69 3.748 10.201 5.049 1.00 0.00 H new ATOM 0 HA TYR A 69 4.663 9.369 2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.682 8.585 4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.261 8.075 2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.861 8.226 4.033 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.360 5.780 3.520 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.224 6.166 4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.781 3.757 3.419 1.00 0.00 H new ATOM 0 HH TYR A 69 6.930 3.796 4.839 1.00 0.00 H new ATOM 1027 N ARG A 70 3.465 10.676 0.863 1.00 0.00 N ATOM 1028 CA ARG A 70 2.786 11.173 -0.331 1.00 0.00 C ATOM 1029 C ARG A 70 2.180 10.023 -1.148 1.00 0.00 C ATOM 1030 O ARG A 70 2.712 9.641 -2.187 1.00 0.00 O ATOM 1031 CB ARG A 70 3.822 11.899 -1.173 1.00 0.00 C ATOM 1032 CG ARG A 70 4.346 13.229 -0.635 1.00 0.00 C ATOM 1033 CD ARG A 70 4.378 14.278 -1.747 1.00 0.00 C ATOM 1034 NE ARG A 70 4.956 15.549 -1.271 1.00 0.00 N ATOM 1035 CZ ARG A 70 6.215 15.950 -1.431 1.00 0.00 C ATOM 1036 NH1 ARG A 70 7.107 15.287 -2.141 1.00 0.00 N ATOM 1037 NH2 ARG A 70 6.606 17.069 -0.854 1.00 0.00 N ATOM 0 H ARG A 70 4.480 10.653 0.761 1.00 0.00 H new ATOM 0 HA ARG A 70 1.971 11.836 -0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.672 11.232 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.392 12.078 -2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.711 13.574 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.347 13.094 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.963 13.903 -2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.367 14.452 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 70 4.331 16.181 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.846 14.416 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.058 15.645 -2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.947 17.612 -0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.567 17.392 -0.966 1.00 0.00 H new ATOM 1051 N VAL A 71 1.093 9.449 -0.656 1.00 0.00 N ATOM 1052 CA VAL A 71 0.470 8.258 -1.276 1.00 0.00 C ATOM 1053 C VAL A 71 -0.484 8.634 -2.397 1.00 0.00 C ATOM 1054 O VAL A 71 -1.323 9.523 -2.262 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.236 7.293 -0.297 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.435 5.905 -0.936 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.586 7.107 0.982 1.00 0.00 C ATOM 0 H VAL A 71 0.610 9.782 0.178 1.00 0.00 H new ATOM 0 HA VAL A 71 1.321 7.710 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.202 7.738 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.934 5.246 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.047 6.002 -1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.535 5.484 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.066 6.423 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.563 6.695 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.715 8.071 1.475 1.00 0.00 H new ATOM 1067 N SER A 72 -0.333 7.931 -3.514 1.00 0.00 N ATOM 1068 CA SER A 72 -1.155 8.051 -4.709 1.00 0.00 C ATOM 1069 C SER A 72 -1.316 6.686 -5.403 1.00 0.00 C ATOM 1070 O SER A 72 -0.604 5.734 -5.098 1.00 0.00 O ATOM 1071 CB SER A 72 -0.478 9.072 -5.624 1.00 0.00 C ATOM 1072 OG SER A 72 -0.633 10.379 -5.096 1.00 0.00 O ATOM 0 H SER A 72 0.401 7.230 -3.614 1.00 0.00 H new ATOM 0 HA SER A 72 -2.161 8.386 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.581 8.835 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.912 9.021 -6.622 1.00 0.00 H new ATOM 0 HG SER A 72 -0.195 11.025 -5.688 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.258 6.574 -6.340 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.503 5.389 -7.183 1.00 0.00 C ATOM 1080 C ILE A 73 -1.841 5.626 -8.535 1.00 0.00 C ATOM 1081 O ILE A 73 -2.027 6.686 -9.128 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.030 5.166 -7.331 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.673 4.914 -5.946 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.344 3.994 -8.284 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.202 4.815 -5.953 1.00 0.00 C ATOM 0 H ILE A 73 -2.903 7.337 -6.546 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.080 4.492 -6.731 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.455 6.071 -7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.266 3.990 -5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.379 5.719 -5.273 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.424 3.868 -8.363 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.931 4.206 -9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.900 3.079 -7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.560 4.638 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.625 5.746 -6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.510 3.990 -6.596 1.00 0.00 H new ATOM 1097 N THR A 74 -1.098 4.636 -9.035 1.00 0.00 N ATOM 1098 CA THR A 74 -0.569 4.625 -10.398 1.00 0.00 C ATOM 1099 C THR A 74 -1.219 3.486 -11.163 1.00 0.00 C ATOM 1100 O THR A 74 -1.091 2.318 -10.798 1.00 0.00 O ATOM 1101 CB THR A 74 0.960 4.603 -10.389 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.375 4.678 -11.730 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.626 3.400 -9.717 1.00 0.00 C ATOM 0 H THR A 74 -0.844 3.808 -8.496 1.00 0.00 H new ATOM 0 HA THR A 74 -0.824 5.544 -10.925 1.00 0.00 H new ATOM 0 HB THR A 74 1.277 5.447 -9.777 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.354 4.668 -11.770 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.709 3.503 -9.777 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.323 3.354 -8.671 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.320 2.485 -10.224 1.00 0.00 H new ATOM 1111 N SER A 75 -2.014 3.830 -12.169 1.00 0.00 N ATOM 1112 CA SER A 75 -2.822 2.894 -12.960 1.00 0.00 C ATOM 1113 C SER A 75 -3.325 3.531 -14.265 1.00 0.00 C ATOM 1114 O SER A 75 -3.416 4.749 -14.393 1.00 0.00 O ATOM 1115 CB SER A 75 -4.008 2.371 -12.127 1.00 0.00 C ATOM 1116 OG SER A 75 -3.570 1.467 -11.130 1.00 0.00 O ATOM 0 H SER A 75 -2.121 4.798 -12.471 1.00 0.00 H new ATOM 0 HA SER A 75 -2.179 2.056 -13.231 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.526 3.209 -11.661 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.726 1.876 -12.781 1.00 0.00 H new ATOM 0 HG SER A 75 -2.592 1.402 -11.154 1.00 0.00 H new ATOM 1122 N GLU A 76 -3.698 2.691 -15.229 1.00 0.00 N ATOM 1123 CA GLU A 76 -4.013 3.020 -16.629 1.00 0.00 C ATOM 1124 C GLU A 76 -5.411 3.655 -16.804 1.00 0.00 C ATOM 1125 O GLU A 76 -6.200 3.263 -17.656 1.00 0.00 O ATOM 1126 CB GLU A 76 -3.839 1.700 -17.403 1.00 0.00 C ATOM 1127 CG GLU A 76 -3.244 1.839 -18.803 1.00 0.00 C ATOM 1128 CD GLU A 76 -2.718 0.474 -19.246 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -1.678 0.059 -18.683 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -3.385 -0.165 -20.089 1.00 0.00 O ATOM 0 H GLU A 76 -3.797 1.692 -15.046 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.347 3.792 -17.015 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.201 1.037 -16.819 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.812 1.215 -17.486 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.000 2.198 -19.501 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.438 2.573 -18.801 1.00 0.00 H new ATOM 1137 N VAL A 77 -5.756 4.611 -15.943 1.00 0.00 N ATOM 1138 CA VAL A 77 -7.119 5.169 -15.771 1.00 0.00 C ATOM 1139 C VAL A 77 -7.516 6.185 -16.873 1.00 0.00 C ATOM 1140 O VAL A 77 -7.996 7.278 -16.585 1.00 0.00 O ATOM 1141 CB VAL A 77 -7.365 5.708 -14.332 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -8.873 5.780 -14.012 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -6.740 4.814 -13.238 1.00 0.00 C ATOM 0 H VAL A 77 -5.076 5.042 -15.317 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.799 4.327 -15.903 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.900 6.694 -14.322 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.012 6.160 -13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.364 6.447 -14.721 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.309 4.784 -14.089 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.945 5.242 -12.257 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.171 3.814 -13.295 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.662 4.754 -13.389 1.00 0.00 H new TER 1153 VAL A 77