USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 571 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 102 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 102 CACA :(metal ligand) USER MOD Set 1.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 52 MET CE :methyl -137:sc= -2.3 (180deg=-3.92!) USER MOD Set 2.1: A 8 GLN : amide:sc= -5.22! C(o=-4.6!,f=-1.9!) USER MOD Set 2.2: A 73 SER OG : rot -120:sc= 0.647! USER MOD Single : A 1 SER N :NH3+ 171:sc= -0.106 (180deg=-0.183) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 3 ASN : amide:sc= -1.08! C(o=-1.1!,f=-6.9!) USER MOD Single : A 5 THR OG1 : rot -57:sc= -0.0925 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.21) USER MOD Single : A 24 ASN : amide:sc= -3.06! C(o=-3.1!,f=-3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -2.17! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 90:sc= 0.917 USER MOD Single : A 36 MET CE :methyl 150:sc= -0.09 (180deg=-0.898) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -52:sc= 0.319 USER MOD Single : A 44 SER OG : rot 180:sc= -0.966! USER MOD Single : A 49 ASN : amide:sc= -0.578 K(o=-0.58,f=-3.1!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 61 HIS : no HD1:sc= -1.86! C(o=-1.9!,f=-2.6!) USER MOD Single : A 62 GLN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.1 USER MOD Single : A 72 MET CE :methyl -173:sc= -0.0545 (180deg=-0.108) USER MOD Single : A 75 GLN : amide:sc= -0.0351 K(o=-0.035,f=-0.79) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.327 -1.962 -26.617 1.00 0.00 N ATOM 2 CA SER A 1 -14.235 -3.108 -26.911 1.00 0.00 C ATOM 3 C SER A 1 -14.681 -3.777 -25.608 1.00 0.00 C ATOM 4 O SER A 1 -15.139 -4.903 -25.601 1.00 0.00 O ATOM 5 CB SER A 1 -13.396 -4.073 -27.748 1.00 0.00 C ATOM 6 OG SER A 1 -13.498 -3.714 -29.119 1.00 0.00 O ATOM 0 H1 SER A 1 -12.911 -1.612 -27.504 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.868 -1.198 -26.163 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.568 -2.275 -25.979 1.00 0.00 H new ATOM 0 HA SER A 1 -15.139 -2.795 -27.433 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.355 -4.040 -27.428 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.742 -5.096 -27.601 1.00 0.00 H new ATOM 0 HG SER A 1 -12.960 -4.330 -29.659 1.00 0.00 H new ATOM 14 N SER A 2 -14.550 -3.093 -24.504 1.00 0.00 N ATOM 15 CA SER A 2 -14.968 -3.690 -23.203 1.00 0.00 C ATOM 16 C SER A 2 -15.499 -2.601 -22.266 1.00 0.00 C ATOM 17 O SER A 2 -15.059 -1.470 -22.303 1.00 0.00 O ATOM 18 CB SER A 2 -13.698 -4.318 -22.630 1.00 0.00 C ATOM 19 OG SER A 2 -13.338 -5.448 -23.413 1.00 0.00 O ATOM 0 H SER A 2 -14.172 -2.147 -24.446 1.00 0.00 H new ATOM 0 HA SER A 2 -15.767 -4.422 -23.322 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.887 -3.589 -22.628 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.861 -4.616 -21.594 1.00 0.00 H new ATOM 0 HG SER A 2 -12.523 -5.852 -23.049 1.00 0.00 H new ATOM 25 N ASN A 3 -16.441 -2.934 -21.427 1.00 0.00 N ATOM 26 CA ASN A 3 -16.998 -1.918 -20.490 1.00 0.00 C ATOM 27 C ASN A 3 -16.026 -1.674 -19.333 1.00 0.00 C ATOM 28 O ASN A 3 -15.251 -2.537 -18.969 1.00 0.00 O ATOM 29 CB ASN A 3 -18.303 -2.526 -19.976 1.00 0.00 C ATOM 30 CG ASN A 3 -18.941 -1.580 -18.956 1.00 0.00 C ATOM 31 OD1 ASN A 3 -18.583 -0.422 -18.879 1.00 0.00 O ATOM 32 ND2 ASN A 3 -19.876 -2.028 -18.164 1.00 0.00 N ATOM 0 H ASN A 3 -16.849 -3.866 -21.350 1.00 0.00 H new ATOM 0 HA ASN A 3 -17.160 -0.955 -20.975 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -18.988 -2.698 -20.806 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -18.109 -3.495 -19.517 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -20.306 -1.406 -17.480 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -20.177 -3.001 -18.229 1.00 0.00 H new ATOM 39 N LEU A 4 -16.061 -0.506 -18.752 1.00 0.00 N ATOM 40 CA LEU A 4 -15.138 -0.209 -17.618 1.00 0.00 C ATOM 41 C LEU A 4 -15.831 -0.512 -16.283 1.00 0.00 C ATOM 42 O LEU A 4 -16.263 -1.621 -16.042 1.00 0.00 O ATOM 43 CB LEU A 4 -14.820 1.281 -17.755 1.00 0.00 C ATOM 44 CG LEU A 4 -14.032 1.521 -19.043 1.00 0.00 C ATOM 45 CD1 LEU A 4 -15.002 1.792 -20.194 1.00 0.00 C ATOM 46 CD2 LEU A 4 -13.110 2.729 -18.859 1.00 0.00 C ATOM 0 H LEU A 4 -16.688 0.255 -19.013 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.232 -0.815 -17.639 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.743 1.860 -17.768 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.243 1.621 -16.895 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.435 0.638 -19.272 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.439 1.963 -21.112 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.659 0.932 -20.326 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.600 2.674 -19.966 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.548 2.901 -19.777 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.708 3.611 -18.629 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.417 2.536 -18.040 1.00 0.00 H new ATOM 58 N THR A 5 -15.945 0.457 -15.410 1.00 0.00 N ATOM 59 CA THR A 5 -16.616 0.203 -14.100 1.00 0.00 C ATOM 60 C THR A 5 -16.008 -1.028 -13.425 1.00 0.00 C ATOM 61 O THR A 5 -14.825 -1.283 -13.526 1.00 0.00 O ATOM 62 CB THR A 5 -18.094 -0.042 -14.435 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.278 -1.399 -14.818 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.531 0.876 -15.579 1.00 0.00 C ATOM 0 H THR A 5 -15.604 1.409 -15.547 1.00 0.00 H new ATOM 0 HA THR A 5 -16.494 1.039 -13.411 1.00 0.00 H new ATOM 0 HB THR A 5 -18.698 0.173 -13.554 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.689 -1.609 -15.573 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.581 0.695 -15.810 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.399 1.916 -15.282 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.925 0.671 -16.462 1.00 0.00 H new ATOM 72 N GLU A 6 -16.810 -1.795 -12.736 1.00 0.00 N ATOM 73 CA GLU A 6 -16.283 -3.013 -12.053 1.00 0.00 C ATOM 74 C GLU A 6 -15.285 -3.737 -12.958 1.00 0.00 C ATOM 75 O GLU A 6 -14.357 -4.370 -12.497 1.00 0.00 O ATOM 76 CB GLU A 6 -17.514 -3.882 -11.800 1.00 0.00 C ATOM 77 CG GLU A 6 -17.953 -4.551 -13.105 1.00 0.00 C ATOM 78 CD GLU A 6 -19.081 -5.542 -12.817 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.776 -6.673 -12.476 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.231 -5.154 -12.942 1.00 0.00 O ATOM 0 H GLU A 6 -17.810 -1.631 -12.616 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.754 -2.777 -11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.288 -4.640 -11.050 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.325 -3.272 -11.402 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.290 -3.797 -13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.109 -5.067 -13.563 1.00 0.00 H new ATOM 87 N GLU A 7 -15.468 -3.641 -14.245 1.00 0.00 N ATOM 88 CA GLU A 7 -14.530 -4.316 -15.183 1.00 0.00 C ATOM 89 C GLU A 7 -13.186 -3.589 -15.171 1.00 0.00 C ATOM 90 O GLU A 7 -12.138 -4.199 -15.057 1.00 0.00 O ATOM 91 CB GLU A 7 -15.191 -4.203 -16.558 1.00 0.00 C ATOM 92 CG GLU A 7 -14.958 -5.494 -17.343 1.00 0.00 C ATOM 93 CD GLU A 7 -14.565 -5.154 -18.783 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.459 -4.982 -19.595 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.377 -5.071 -19.048 1.00 0.00 O ATOM 0 H GLU A 7 -16.227 -3.124 -14.688 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.341 -5.355 -14.913 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.260 -4.021 -16.446 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.779 -3.354 -17.103 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.172 -6.083 -16.870 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.861 -6.104 -17.336 1.00 0.00 H new ATOM 102 N GLN A 8 -13.206 -2.288 -15.269 1.00 0.00 N ATOM 103 CA GLN A 8 -11.926 -1.528 -15.245 1.00 0.00 C ATOM 104 C GLN A 8 -11.345 -1.571 -13.831 1.00 0.00 C ATOM 105 O GLN A 8 -10.168 -1.801 -13.636 1.00 0.00 O ATOM 106 CB GLN A 8 -12.291 -0.096 -15.671 1.00 0.00 C ATOM 107 CG GLN A 8 -12.682 0.748 -14.452 1.00 0.00 C ATOM 108 CD GLN A 8 -12.980 2.181 -14.896 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.890 2.809 -14.389 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.250 2.729 -15.828 1.00 0.00 N ATOM 0 H GLN A 8 -14.049 -1.722 -15.364 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.169 -1.942 -15.911 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.445 0.364 -16.182 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.117 -0.122 -16.382 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.557 0.318 -13.965 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.875 0.744 -13.720 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.487 2.203 -16.253 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.442 3.684 -16.131 1.00 0.00 H new ATOM 119 N ILE A 9 -12.171 -1.365 -12.842 1.00 0.00 N ATOM 120 CA ILE A 9 -11.682 -1.408 -11.438 1.00 0.00 C ATOM 121 C ILE A 9 -10.995 -2.746 -11.176 1.00 0.00 C ATOM 122 O ILE A 9 -9.817 -2.805 -10.898 1.00 0.00 O ATOM 123 CB ILE A 9 -12.936 -1.279 -10.579 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.603 0.071 -10.848 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.552 -1.376 -9.103 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.111 -0.051 -10.617 1.00 0.00 C ATOM 0 H ILE A 9 -13.166 -1.168 -12.948 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.959 -0.621 -11.222 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.632 -2.081 -10.827 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.184 0.833 -10.191 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.405 0.389 -11.872 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.447 -1.284 -8.487 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.078 -2.339 -8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.857 -0.574 -8.854 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.587 0.911 -10.808 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.523 -0.801 -11.292 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.298 -0.350 -9.586 1.00 0.00 H new ATOM 138 N ALA A 10 -11.724 -3.825 -11.270 1.00 0.00 N ATOM 139 CA ALA A 10 -11.106 -5.160 -11.029 1.00 0.00 C ATOM 140 C ALA A 10 -9.748 -5.232 -11.730 1.00 0.00 C ATOM 141 O ALA A 10 -8.754 -5.626 -11.149 1.00 0.00 O ATOM 142 CB ALA A 10 -12.081 -6.166 -11.639 1.00 0.00 C ATOM 0 H ALA A 10 -12.717 -3.840 -11.502 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.935 -5.357 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.695 -7.176 -11.502 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.050 -6.078 -11.147 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.195 -5.963 -12.704 1.00 0.00 H new ATOM 148 N GLU A 11 -9.696 -4.841 -12.975 1.00 0.00 N ATOM 149 CA GLU A 11 -8.401 -4.875 -13.711 1.00 0.00 C ATOM 150 C GLU A 11 -7.397 -3.948 -13.024 1.00 0.00 C ATOM 151 O GLU A 11 -6.248 -4.295 -12.825 1.00 0.00 O ATOM 152 CB GLU A 11 -8.728 -4.369 -15.117 1.00 0.00 C ATOM 153 CG GLU A 11 -8.563 -5.510 -16.121 1.00 0.00 C ATOM 154 CD GLU A 11 -7.160 -5.458 -16.728 1.00 0.00 C ATOM 155 OE1 GLU A 11 -6.679 -4.362 -16.964 1.00 0.00 O ATOM 156 OE2 GLU A 11 -6.591 -6.514 -16.947 1.00 0.00 O ATOM 0 H GLU A 11 -10.493 -4.500 -13.513 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.958 -5.871 -13.736 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.748 -3.987 -15.149 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.069 -3.541 -15.380 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.722 -6.469 -15.627 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.314 -5.428 -16.907 1.00 0.00 H new ATOM 163 N PHE A 12 -7.826 -2.773 -12.652 1.00 0.00 N ATOM 164 CA PHE A 12 -6.905 -1.825 -11.967 1.00 0.00 C ATOM 165 C PHE A 12 -6.423 -2.437 -10.651 1.00 0.00 C ATOM 166 O PHE A 12 -5.240 -2.498 -10.382 1.00 0.00 O ATOM 167 CB PHE A 12 -7.745 -0.574 -11.712 1.00 0.00 C ATOM 168 CG PHE A 12 -8.012 0.124 -13.024 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.972 0.303 -13.943 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.297 0.594 -13.322 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.216 0.950 -15.160 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.541 1.242 -14.539 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.500 1.421 -15.459 1.00 0.00 C ATOM 0 H PHE A 12 -8.776 -2.429 -12.793 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.017 -1.598 -12.557 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.686 -0.845 -11.233 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.222 0.096 -11.030 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.981 -0.058 -13.713 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.100 0.457 -12.613 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.413 1.086 -15.869 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.532 1.604 -14.768 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.688 1.922 -16.397 1.00 0.00 H new ATOM 183 N LYS A 13 -7.333 -2.899 -9.835 1.00 0.00 N ATOM 184 CA LYS A 13 -6.933 -3.520 -8.541 1.00 0.00 C ATOM 185 C LYS A 13 -5.711 -4.412 -8.760 1.00 0.00 C ATOM 186 O LYS A 13 -4.701 -4.271 -8.100 1.00 0.00 O ATOM 187 CB LYS A 13 -8.138 -4.356 -8.111 1.00 0.00 C ATOM 188 CG LYS A 13 -9.066 -3.506 -7.239 1.00 0.00 C ATOM 189 CD LYS A 13 -9.746 -4.396 -6.198 1.00 0.00 C ATOM 190 CE LYS A 13 -8.775 -4.671 -5.047 1.00 0.00 C ATOM 191 NZ LYS A 13 -9.332 -3.920 -3.888 1.00 0.00 N ATOM 0 H LYS A 13 -8.337 -2.872 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.666 -2.781 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.675 -4.716 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.806 -5.234 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.497 -2.719 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.816 -3.015 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.645 -3.910 -5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.059 -5.334 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.709 -5.738 -4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.768 -4.332 -5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.721 -4.059 -3.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.376 -2.907 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.288 -4.269 -3.676 1.00 0.00 H new ATOM 205 N GLU A 14 -5.789 -5.317 -9.698 1.00 0.00 N ATOM 206 CA GLU A 14 -4.620 -6.197 -9.968 1.00 0.00 C ATOM 207 C GLU A 14 -3.387 -5.327 -10.218 1.00 0.00 C ATOM 208 O GLU A 14 -2.322 -5.567 -9.681 1.00 0.00 O ATOM 209 CB GLU A 14 -4.992 -6.984 -11.225 1.00 0.00 C ATOM 210 CG GLU A 14 -5.350 -8.420 -10.842 1.00 0.00 C ATOM 211 CD GLU A 14 -6.786 -8.466 -10.317 1.00 0.00 C ATOM 212 OE1 GLU A 14 -7.687 -8.617 -11.125 1.00 0.00 O ATOM 213 OE2 GLU A 14 -6.961 -8.349 -9.115 1.00 0.00 O ATOM 0 H GLU A 14 -6.607 -5.483 -10.285 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.390 -6.864 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.835 -6.510 -11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.159 -6.981 -11.928 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.247 -9.075 -11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.661 -8.787 -10.081 1.00 0.00 H new ATOM 220 N ALA A 15 -3.529 -4.308 -11.022 1.00 0.00 N ATOM 221 CA ALA A 15 -2.373 -3.410 -11.297 1.00 0.00 C ATOM 222 C ALA A 15 -1.960 -2.694 -10.010 1.00 0.00 C ATOM 223 O ALA A 15 -0.796 -2.638 -9.666 1.00 0.00 O ATOM 224 CB ALA A 15 -2.883 -2.405 -12.330 1.00 0.00 C ATOM 0 H ALA A 15 -4.395 -4.059 -11.500 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.501 -3.953 -11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.085 -1.707 -12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.200 -2.935 -13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.728 -1.855 -11.916 1.00 0.00 H new ATOM 230 N PHE A 16 -2.906 -2.152 -9.292 1.00 0.00 N ATOM 231 CA PHE A 16 -2.561 -1.449 -8.024 1.00 0.00 C ATOM 232 C PHE A 16 -1.614 -2.320 -7.199 1.00 0.00 C ATOM 233 O PHE A 16 -0.483 -1.955 -6.943 1.00 0.00 O ATOM 234 CB PHE A 16 -3.886 -1.264 -7.285 1.00 0.00 C ATOM 235 CG PHE A 16 -3.601 -0.815 -5.872 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.280 0.523 -5.613 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.650 -1.738 -4.820 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.010 0.938 -4.304 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.380 -1.322 -3.511 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.060 0.016 -3.253 1.00 0.00 C ATOM 0 H PHE A 16 -3.898 -2.165 -9.527 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.065 -0.495 -8.203 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.503 -0.526 -7.797 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.447 -2.199 -7.277 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.241 1.235 -6.424 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.896 -2.771 -5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.763 1.970 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.419 -2.034 -2.700 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.852 0.337 -2.243 1.00 0.00 H new ATOM 250 N ALA A 17 -2.065 -3.474 -6.787 1.00 0.00 N ATOM 251 CA ALA A 17 -1.188 -4.370 -5.986 1.00 0.00 C ATOM 252 C ALA A 17 0.207 -4.410 -6.610 1.00 0.00 C ATOM 253 O ALA A 17 1.204 -4.233 -5.938 1.00 0.00 O ATOM 254 CB ALA A 17 -1.852 -5.746 -6.057 1.00 0.00 C ATOM 0 H ALA A 17 -3.002 -3.833 -6.971 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.073 -4.034 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.262 -6.464 -5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.856 -5.688 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.912 -6.068 -7.097 1.00 0.00 H new ATOM 260 N LEU A 18 0.286 -4.634 -7.895 1.00 0.00 N ATOM 261 CA LEU A 18 1.619 -4.671 -8.558 1.00 0.00 C ATOM 262 C LEU A 18 2.459 -3.482 -8.087 1.00 0.00 C ATOM 263 O LEU A 18 3.656 -3.585 -7.908 1.00 0.00 O ATOM 264 CB LEU A 18 1.323 -4.563 -10.055 1.00 0.00 C ATOM 265 CG LEU A 18 2.184 -5.568 -10.820 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.378 -6.155 -11.979 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.425 -4.860 -11.370 1.00 0.00 C ATOM 0 H LEU A 18 -0.512 -4.792 -8.510 1.00 0.00 H new ATOM 0 HA LEU A 18 2.179 -5.576 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.267 -4.756 -10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.529 -3.551 -10.405 1.00 0.00 H new ATOM 0 HG LEU A 18 2.489 -6.370 -10.148 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.993 -6.871 -12.524 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.494 -6.659 -11.589 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.072 -5.354 -12.652 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.040 -5.575 -11.916 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.119 -4.058 -12.042 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.001 -4.442 -10.545 1.00 0.00 H new ATOM 279 N PHE A 19 1.833 -2.356 -7.875 1.00 0.00 N ATOM 280 CA PHE A 19 2.587 -1.160 -7.403 1.00 0.00 C ATOM 281 C PHE A 19 2.994 -1.348 -5.939 1.00 0.00 C ATOM 282 O PHE A 19 4.126 -1.115 -5.565 1.00 0.00 O ATOM 283 CB PHE A 19 1.606 0.010 -7.540 1.00 0.00 C ATOM 284 CG PHE A 19 1.229 0.210 -8.993 1.00 0.00 C ATOM 285 CD1 PHE A 19 1.991 -0.375 -10.013 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.111 0.991 -9.318 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.637 -0.180 -11.353 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.241 1.185 -10.658 1.00 0.00 C ATOM 289 CZ PHE A 19 0.521 0.601 -11.676 1.00 0.00 C ATOM 0 H PHE A 19 0.832 -2.213 -8.008 1.00 0.00 H new ATOM 0 HA PHE A 19 3.500 -0.992 -7.974 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.712 -0.185 -6.948 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.057 0.920 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.853 -0.977 -9.765 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.478 1.443 -8.534 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.225 -0.632 -12.138 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.103 1.787 -10.907 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.248 0.753 -12.710 1.00 0.00 H new ATOM 299 N ASP A 20 2.079 -1.773 -5.112 1.00 0.00 N ATOM 300 CA ASP A 20 2.412 -1.983 -3.674 1.00 0.00 C ATOM 301 C ASP A 20 3.306 -3.217 -3.518 1.00 0.00 C ATOM 302 O ASP A 20 3.529 -3.952 -4.459 1.00 0.00 O ATOM 303 CB ASP A 20 1.065 -2.201 -2.983 1.00 0.00 C ATOM 304 CG ASP A 20 1.297 -2.763 -1.579 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.572 -1.980 -0.686 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.194 -3.969 -1.421 1.00 0.00 O ATOM 0 H ASP A 20 1.115 -1.984 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 20 2.955 -1.141 -3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.518 -1.260 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.453 -2.890 -3.565 1.00 0.00 H new ATOM 311 N LYS A 21 3.822 -3.449 -2.342 1.00 0.00 N ATOM 312 CA LYS A 21 4.702 -4.637 -2.141 1.00 0.00 C ATOM 313 C LYS A 21 4.250 -5.440 -0.918 1.00 0.00 C ATOM 314 O LYS A 21 5.038 -6.108 -0.278 1.00 0.00 O ATOM 315 CB LYS A 21 6.099 -4.058 -1.915 1.00 0.00 C ATOM 316 CG LYS A 21 6.725 -3.697 -3.263 1.00 0.00 C ATOM 317 CD LYS A 21 7.587 -4.860 -3.755 1.00 0.00 C ATOM 318 CE LYS A 21 8.955 -4.809 -3.071 1.00 0.00 C ATOM 319 NZ LYS A 21 9.508 -6.186 -3.216 1.00 0.00 N ATOM 0 H LYS A 21 3.674 -2.871 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 21 4.672 -5.318 -2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.040 -3.173 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.725 -4.782 -1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.944 -3.476 -3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.332 -2.797 -3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.095 -5.808 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.708 -4.804 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.605 -4.071 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.862 -4.529 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.447 -6.232 -2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.872 -6.866 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.592 -6.422 -4.225 1.00 0.00 H new ATOM 333 N ASP A 22 2.988 -5.384 -0.588 1.00 0.00 N ATOM 334 CA ASP A 22 2.495 -6.149 0.594 1.00 0.00 C ATOM 335 C ASP A 22 0.964 -6.214 0.591 1.00 0.00 C ATOM 336 O ASP A 22 0.342 -6.389 1.619 1.00 0.00 O ATOM 337 CB ASP A 22 2.996 -5.368 1.809 1.00 0.00 C ATOM 338 CG ASP A 22 2.740 -3.874 1.598 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.700 -3.541 1.054 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.589 -3.088 1.985 1.00 0.00 O ATOM 0 H ASP A 22 2.279 -4.844 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 22 2.853 -7.179 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.487 -5.711 2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.061 -5.548 1.956 1.00 0.00 H new ATOM 345 N ASN A 23 0.356 -6.076 -0.557 1.00 0.00 N ATOM 346 CA ASN A 23 -1.136 -6.128 -0.627 1.00 0.00 C ATOM 347 C ASN A 23 -1.747 -5.371 0.554 1.00 0.00 C ATOM 348 O ASN A 23 -2.816 -5.701 1.028 1.00 0.00 O ATOM 349 CB ASN A 23 -1.495 -7.613 -0.546 1.00 0.00 C ATOM 350 CG ASN A 23 -0.515 -8.433 -1.388 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.790 -8.745 -2.530 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.624 -8.801 -0.869 1.00 0.00 N ATOM 0 H ASN A 23 0.827 -5.929 -1.450 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.517 -5.667 -1.538 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.465 -7.947 0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.513 -7.770 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.283 -9.350 -1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.856 -8.540 0.089 1.00 0.00 H new ATOM 359 N ASN A 24 -1.077 -4.361 1.031 1.00 0.00 N ATOM 360 CA ASN A 24 -1.618 -3.582 2.182 1.00 0.00 C ATOM 361 C ASN A 24 -2.668 -2.579 1.695 1.00 0.00 C ATOM 362 O ASN A 24 -3.103 -1.715 2.430 1.00 0.00 O ATOM 363 CB ASN A 24 -0.406 -2.854 2.766 1.00 0.00 C ATOM 364 CG ASN A 24 -0.877 -1.747 3.710 1.00 0.00 C ATOM 365 OD1 ASN A 24 -0.328 -0.663 3.714 1.00 0.00 O ATOM 366 ND2 ASN A 24 -1.878 -1.975 4.515 1.00 0.00 N ATOM 0 H ASN A 24 -0.177 -4.040 0.674 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.108 -4.217 2.920 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.229 -3.558 3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.197 -2.429 1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.200 -1.243 5.148 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.338 -2.885 4.511 1.00 0.00 H new ATOM 373 N GLY A 25 -3.075 -2.683 0.458 1.00 0.00 N ATOM 374 CA GLY A 25 -4.091 -1.730 -0.071 1.00 0.00 C ATOM 375 C GLY A 25 -3.506 -0.319 -0.064 1.00 0.00 C ATOM 376 O GLY A 25 -4.210 0.659 -0.215 1.00 0.00 O ATOM 0 H GLY A 25 -2.749 -3.385 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.380 -2.012 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.993 -1.766 0.539 1.00 0.00 H new ATOM 380 N SER A 26 -2.219 -0.209 0.115 1.00 0.00 N ATOM 381 CA SER A 26 -1.577 1.133 0.135 1.00 0.00 C ATOM 382 C SER A 26 -0.203 1.065 -0.534 1.00 0.00 C ATOM 383 O SER A 26 0.499 0.078 -0.429 1.00 0.00 O ATOM 384 CB SER A 26 -1.437 1.476 1.618 1.00 0.00 C ATOM 385 OG SER A 26 -0.130 1.978 1.865 1.00 0.00 O ATOM 0 H SER A 26 -1.583 -0.995 0.249 1.00 0.00 H new ATOM 0 HA SER A 26 -2.156 1.882 -0.404 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.183 2.218 1.903 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.619 0.590 2.226 1.00 0.00 H new ATOM 0 HG SER A 26 -0.039 2.200 2.815 1.00 0.00 H new ATOM 391 N ILE A 27 0.186 2.099 -1.226 1.00 0.00 N ATOM 392 CA ILE A 27 1.514 2.082 -1.902 1.00 0.00 C ATOM 393 C ILE A 27 2.367 3.265 -1.437 1.00 0.00 C ATOM 394 O ILE A 27 1.970 4.408 -1.541 1.00 0.00 O ATOM 395 CB ILE A 27 1.201 2.208 -3.392 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.545 0.921 -3.889 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.496 2.453 -4.167 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.340 1.242 -5.094 1.00 0.00 C ATOM 0 H ILE A 27 -0.356 2.954 -1.353 1.00 0.00 H new ATOM 0 HA ILE A 27 2.077 1.177 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 27 0.520 3.045 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.308 0.193 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.051 0.472 -3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.272 2.543 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.962 3.373 -3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.178 1.618 -4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.811 0.327 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.110 1.955 -4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.269 1.673 -5.889 1.00 0.00 H new ATOM 410 N SER A 28 3.539 2.999 -0.930 1.00 0.00 N ATOM 411 CA SER A 28 4.419 4.108 -0.465 1.00 0.00 C ATOM 412 C SER A 28 5.354 4.542 -1.597 1.00 0.00 C ATOM 413 O SER A 28 5.147 4.210 -2.748 1.00 0.00 O ATOM 414 CB SER A 28 5.218 3.520 0.698 1.00 0.00 C ATOM 415 OG SER A 28 6.537 3.221 0.261 1.00 0.00 O ATOM 0 H SER A 28 3.925 2.062 -0.818 1.00 0.00 H new ATOM 0 HA SER A 28 3.853 4.989 -0.162 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.249 4.227 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.732 2.617 1.068 1.00 0.00 H new ATOM 0 HG SER A 28 7.051 2.845 1.006 1.00 0.00 H new ATOM 421 N SER A 29 6.381 5.282 -1.282 1.00 0.00 N ATOM 422 CA SER A 29 7.326 5.736 -2.342 1.00 0.00 C ATOM 423 C SER A 29 8.107 4.545 -2.903 1.00 0.00 C ATOM 424 O SER A 29 8.250 4.392 -4.099 1.00 0.00 O ATOM 425 CB SER A 29 8.268 6.712 -1.639 1.00 0.00 C ATOM 426 OG SER A 29 7.812 8.042 -1.854 1.00 0.00 O ATOM 0 H SER A 29 6.607 5.592 -0.337 1.00 0.00 H new ATOM 0 HA SER A 29 6.811 6.200 -3.183 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.304 6.496 -0.571 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.282 6.596 -2.022 1.00 0.00 H new ATOM 0 HG SER A 29 8.413 8.671 -1.403 1.00 0.00 H new ATOM 432 N SER A 30 8.615 3.700 -2.047 1.00 0.00 N ATOM 433 CA SER A 30 9.389 2.522 -2.531 1.00 0.00 C ATOM 434 C SER A 30 8.446 1.469 -3.123 1.00 0.00 C ATOM 435 O SER A 30 8.773 0.797 -4.079 1.00 0.00 O ATOM 436 CB SER A 30 10.092 1.973 -1.291 1.00 0.00 C ATOM 437 OG SER A 30 11.260 1.265 -1.687 1.00 0.00 O ATOM 0 H SER A 30 8.527 3.775 -1.034 1.00 0.00 H new ATOM 0 HA SER A 30 10.095 2.790 -3.317 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.358 2.789 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.421 1.313 -0.741 1.00 0.00 H new ATOM 0 HG SER A 30 11.714 0.913 -0.893 1.00 0.00 H new ATOM 443 N GLU A 31 7.278 1.320 -2.559 1.00 0.00 N ATOM 444 CA GLU A 31 6.319 0.308 -3.090 1.00 0.00 C ATOM 445 C GLU A 31 5.986 0.609 -4.555 1.00 0.00 C ATOM 446 O GLU A 31 6.293 -0.163 -5.441 1.00 0.00 O ATOM 447 CB GLU A 31 5.072 0.446 -2.218 1.00 0.00 C ATOM 448 CG GLU A 31 5.473 0.393 -0.741 1.00 0.00 C ATOM 449 CD GLU A 31 4.266 -0.023 0.102 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.331 0.757 0.189 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.296 -1.114 0.647 1.00 0.00 O ATOM 0 H GLU A 31 6.947 1.854 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 31 6.728 -0.702 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.566 1.387 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.367 -0.354 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.289 -0.315 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.837 1.368 -0.417 1.00 0.00 H new ATOM 458 N LEU A 32 5.359 1.724 -4.817 1.00 0.00 N ATOM 459 CA LEU A 32 5.008 2.067 -6.225 1.00 0.00 C ATOM 460 C LEU A 32 6.266 2.067 -7.099 1.00 0.00 C ATOM 461 O LEU A 32 6.275 1.532 -8.190 1.00 0.00 O ATOM 462 CB LEU A 32 4.403 3.470 -6.155 1.00 0.00 C ATOM 463 CG LEU A 32 3.063 3.488 -6.893 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.397 4.852 -6.709 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.297 3.233 -8.384 1.00 0.00 C ATOM 0 H LEU A 32 5.075 2.411 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 32 4.316 1.348 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.261 3.764 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.085 4.194 -6.601 1.00 0.00 H new ATOM 0 HG LEU A 32 2.416 2.710 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.442 4.865 -7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.229 5.035 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.044 5.630 -7.113 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.342 3.246 -8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.945 4.011 -8.789 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.771 2.261 -8.517 1.00 0.00 H new ATOM 477 N ALA A 33 7.326 2.665 -6.629 1.00 0.00 N ATOM 478 CA ALA A 33 8.581 2.698 -7.434 1.00 0.00 C ATOM 479 C ALA A 33 9.015 1.276 -7.797 1.00 0.00 C ATOM 480 O ALA A 33 9.588 1.038 -8.842 1.00 0.00 O ATOM 481 CB ALA A 33 9.617 3.361 -6.526 1.00 0.00 C ATOM 0 H ALA A 33 7.378 3.132 -5.724 1.00 0.00 H new ATOM 0 HA ALA A 33 8.456 3.239 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.572 3.423 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.282 4.364 -6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.737 2.769 -5.618 1.00 0.00 H new ATOM 487 N THR A 34 8.748 0.326 -6.942 1.00 0.00 N ATOM 488 CA THR A 34 9.146 -1.079 -7.239 1.00 0.00 C ATOM 489 C THR A 34 8.658 -1.486 -8.632 1.00 0.00 C ATOM 490 O THR A 34 9.298 -2.251 -9.326 1.00 0.00 O ATOM 491 CB THR A 34 8.459 -1.921 -6.163 1.00 0.00 C ATOM 492 OG1 THR A 34 8.893 -1.494 -4.879 1.00 0.00 O ATOM 493 CG2 THR A 34 8.816 -3.396 -6.360 1.00 0.00 C ATOM 0 H THR A 34 8.271 0.463 -6.051 1.00 0.00 H new ATOM 0 HA THR A 34 10.228 -1.211 -7.232 1.00 0.00 H new ATOM 0 HB THR A 34 7.379 -1.798 -6.241 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.297 -0.789 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.326 -3.995 -5.592 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.481 -3.723 -7.344 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.896 -3.522 -6.284 1.00 0.00 H new ATOM 501 N VAL A 35 7.529 -0.980 -9.046 1.00 0.00 N ATOM 502 CA VAL A 35 7.002 -1.339 -10.395 1.00 0.00 C ATOM 503 C VAL A 35 7.635 -0.447 -11.466 1.00 0.00 C ATOM 504 O VAL A 35 7.185 -0.401 -12.594 1.00 0.00 O ATOM 505 CB VAL A 35 5.496 -1.090 -10.310 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.228 0.416 -10.285 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.809 -1.709 -11.530 1.00 0.00 C ATOM 0 H VAL A 35 6.949 -0.334 -8.510 1.00 0.00 H new ATOM 0 HA VAL A 35 7.230 -2.370 -10.667 1.00 0.00 H new ATOM 0 HB VAL A 35 5.103 -1.544 -9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.154 0.594 -10.224 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.718 0.858 -9.418 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.620 0.870 -11.195 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.735 -1.533 -11.471 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.202 -1.254 -12.439 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.000 -2.782 -11.550 1.00 0.00 H new ATOM 517 N MET A 36 8.677 0.260 -11.123 1.00 0.00 N ATOM 518 CA MET A 36 9.338 1.148 -12.122 1.00 0.00 C ATOM 519 C MET A 36 10.006 0.309 -13.215 1.00 0.00 C ATOM 520 O MET A 36 10.087 0.714 -14.358 1.00 0.00 O ATOM 521 CB MET A 36 10.386 1.926 -11.328 1.00 0.00 C ATOM 522 CG MET A 36 11.472 0.967 -10.839 1.00 0.00 C ATOM 523 SD MET A 36 12.562 1.830 -9.678 1.00 0.00 S ATOM 524 CE MET A 36 12.616 0.535 -8.414 1.00 0.00 C ATOM 0 H MET A 36 9.099 0.261 -10.195 1.00 0.00 H new ATOM 0 HA MET A 36 8.629 1.810 -12.619 1.00 0.00 H new ATOM 0 HB2 MET A 36 10.827 2.704 -11.952 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.918 2.425 -10.480 1.00 0.00 H new ATOM 0 HG2 MET A 36 11.018 0.103 -10.354 1.00 0.00 H new ATOM 0 HG3 MET A 36 12.048 0.591 -11.685 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.573 0.574 -7.893 1.00 0.00 H new ATOM 0 HE2 MET A 36 11.808 0.690 -7.700 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.500 -0.440 -8.887 1.00 0.00 H new ATOM 534 N ARG A 37 10.483 -0.857 -12.874 1.00 0.00 N ATOM 535 CA ARG A 37 11.145 -1.719 -13.894 1.00 0.00 C ATOM 536 C ARG A 37 10.158 -2.071 -15.011 1.00 0.00 C ATOM 537 O ARG A 37 10.545 -2.381 -16.119 1.00 0.00 O ATOM 538 CB ARG A 37 11.567 -2.978 -13.135 1.00 0.00 C ATOM 539 CG ARG A 37 12.729 -3.650 -13.867 1.00 0.00 C ATOM 540 CD ARG A 37 13.424 -4.637 -12.925 1.00 0.00 C ATOM 541 NE ARG A 37 12.361 -5.604 -12.531 1.00 0.00 N ATOM 542 CZ ARG A 37 12.604 -6.503 -11.616 1.00 0.00 C ATOM 543 NH1 ARG A 37 13.649 -6.382 -10.845 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.800 -7.521 -11.472 1.00 0.00 N ATOM 0 H ARG A 37 10.443 -1.250 -11.934 1.00 0.00 H new ATOM 0 HA ARG A 37 11.994 -1.223 -14.365 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.864 -2.720 -12.119 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.726 -3.667 -13.056 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.363 -4.171 -14.751 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.439 -2.898 -14.212 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.252 -5.141 -13.422 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.837 -4.128 -12.054 1.00 0.00 H new ATOM 0 HE ARG A 37 11.444 -5.564 -12.976 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.276 -5.585 -10.957 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.839 -7.084 -10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.982 -7.614 -12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.990 -8.224 -10.757 1.00 0.00 H new ATOM 558 N SER A 38 8.885 -2.025 -14.727 1.00 0.00 N ATOM 559 CA SER A 38 7.875 -2.356 -15.772 1.00 0.00 C ATOM 560 C SER A 38 7.415 -1.082 -16.486 1.00 0.00 C ATOM 561 O SER A 38 6.426 -1.077 -17.192 1.00 0.00 O ATOM 562 CB SER A 38 6.713 -2.994 -15.013 1.00 0.00 C ATOM 563 OG SER A 38 6.624 -4.369 -15.358 1.00 0.00 O ATOM 0 H SER A 38 8.501 -1.773 -13.817 1.00 0.00 H new ATOM 0 HA SER A 38 8.276 -3.021 -16.537 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.863 -2.886 -13.939 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.781 -2.485 -15.258 1.00 0.00 H new ATOM 0 HG SER A 38 5.880 -4.781 -14.871 1.00 0.00 H new ATOM 569 N LEU A 39 8.125 -0.002 -16.308 1.00 0.00 N ATOM 570 CA LEU A 39 7.729 1.271 -16.977 1.00 0.00 C ATOM 571 C LEU A 39 8.959 2.155 -17.201 1.00 0.00 C ATOM 572 O LEU A 39 9.333 2.440 -18.321 1.00 0.00 O ATOM 573 CB LEU A 39 6.756 1.942 -16.006 1.00 0.00 C ATOM 574 CG LEU A 39 5.643 2.634 -16.794 1.00 0.00 C ATOM 575 CD1 LEU A 39 4.768 1.580 -17.476 1.00 0.00 C ATOM 576 CD2 LEU A 39 4.785 3.467 -15.839 1.00 0.00 C ATOM 0 H LEU A 39 8.962 0.055 -15.728 1.00 0.00 H new ATOM 0 HA LEU A 39 7.278 1.101 -17.955 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.330 1.200 -15.331 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.285 2.668 -15.389 1.00 0.00 H new ATOM 0 HG LEU A 39 6.084 3.284 -17.550 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.975 2.074 -18.038 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.378 0.985 -18.156 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.327 0.929 -16.721 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.991 3.961 -16.400 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.345 2.816 -15.084 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.407 4.218 -15.353 1.00 0.00 H new ATOM 588 N GLY A 40 9.589 2.590 -16.145 1.00 0.00 N ATOM 589 CA GLY A 40 10.793 3.455 -16.299 1.00 0.00 C ATOM 590 C GLY A 40 11.701 3.286 -15.079 1.00 0.00 C ATOM 591 O GLY A 40 11.550 3.963 -14.082 1.00 0.00 O ATOM 0 H GLY A 40 9.322 2.384 -15.182 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.333 3.187 -17.207 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.494 4.498 -16.402 1.00 0.00 H new ATOM 595 N LEU A 41 12.644 2.387 -15.150 1.00 0.00 N ATOM 596 CA LEU A 41 13.561 2.176 -13.993 1.00 0.00 C ATOM 597 C LEU A 41 14.333 3.462 -13.688 1.00 0.00 C ATOM 598 O LEU A 41 14.245 4.436 -14.410 1.00 0.00 O ATOM 599 CB LEU A 41 14.516 1.069 -14.443 1.00 0.00 C ATOM 600 CG LEU A 41 15.330 0.575 -13.243 1.00 0.00 C ATOM 601 CD1 LEU A 41 14.392 0.301 -12.065 1.00 0.00 C ATOM 602 CD2 LEU A 41 16.060 -0.714 -13.622 1.00 0.00 C ATOM 0 H LEU A 41 12.820 1.790 -15.958 1.00 0.00 H new ATOM 0 HA LEU A 41 13.024 1.906 -13.083 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.953 0.243 -14.878 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.184 1.444 -15.219 1.00 0.00 H new ATOM 0 HG LEU A 41 16.056 1.337 -12.958 1.00 0.00 H new ATOM 0 HD11 LEU A 41 14.972 -0.050 -11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.869 1.219 -11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.665 -0.461 -12.348 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.640 -1.068 -12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 41 15.332 -1.474 -13.906 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.729 -0.520 -14.461 1.00 0.00 H new ATOM 614 N SER A 42 15.087 3.476 -12.622 1.00 0.00 N ATOM 615 CA SER A 42 15.860 4.701 -12.272 1.00 0.00 C ATOM 616 C SER A 42 14.922 5.907 -12.171 1.00 0.00 C ATOM 617 O SER A 42 15.196 6.953 -12.724 1.00 0.00 O ATOM 618 CB SER A 42 16.851 4.886 -13.420 1.00 0.00 C ATOM 619 OG SER A 42 17.760 5.929 -13.091 1.00 0.00 O ATOM 0 H SER A 42 15.201 2.692 -11.979 1.00 0.00 H new ATOM 0 HA SER A 42 16.365 4.610 -11.310 1.00 0.00 H new ATOM 0 HB2 SER A 42 17.394 3.958 -13.601 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.319 5.128 -14.340 1.00 0.00 H new ATOM 0 HG SER A 42 17.259 6.728 -12.825 1.00 0.00 H new ATOM 625 N PRO A 43 13.839 5.714 -11.467 1.00 0.00 N ATOM 626 CA PRO A 43 12.844 6.801 -11.290 1.00 0.00 C ATOM 627 C PRO A 43 13.376 7.860 -10.320 1.00 0.00 C ATOM 628 O PRO A 43 13.169 9.043 -10.503 1.00 0.00 O ATOM 629 CB PRO A 43 11.633 6.084 -10.698 1.00 0.00 C ATOM 630 CG PRO A 43 12.191 4.868 -10.029 1.00 0.00 C ATOM 631 CD PRO A 43 13.442 4.483 -10.775 1.00 0.00 C ATOM 0 HA PRO A 43 12.613 7.326 -12.217 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.107 6.720 -9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.916 5.814 -11.474 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.415 5.074 -8.982 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.467 4.053 -10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 43 14.221 4.139 -10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 43 13.253 3.673 -11.479 1.00 0.00 H new ATOM 639 N SER A 44 14.060 7.443 -9.290 1.00 0.00 N ATOM 640 CA SER A 44 14.603 8.424 -8.307 1.00 0.00 C ATOM 641 C SER A 44 13.457 9.086 -7.539 1.00 0.00 C ATOM 642 O SER A 44 12.383 9.284 -8.069 1.00 0.00 O ATOM 643 CB SER A 44 15.357 9.457 -9.145 1.00 0.00 C ATOM 644 OG SER A 44 15.797 8.849 -10.352 1.00 0.00 O ATOM 0 H SER A 44 14.267 6.465 -9.086 1.00 0.00 H new ATOM 0 HA SER A 44 15.252 7.953 -7.569 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.710 10.306 -9.366 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.210 9.843 -8.587 1.00 0.00 H new ATOM 0 HG SER A 44 16.280 9.508 -10.893 1.00 0.00 H new ATOM 650 N GLU A 45 13.681 9.419 -6.291 1.00 0.00 N ATOM 651 CA GLU A 45 12.613 10.065 -5.468 1.00 0.00 C ATOM 652 C GLU A 45 11.747 10.988 -6.329 1.00 0.00 C ATOM 653 O GLU A 45 10.534 10.928 -6.290 1.00 0.00 O ATOM 654 CB GLU A 45 13.366 10.873 -4.410 1.00 0.00 C ATOM 655 CG GLU A 45 12.372 11.708 -3.601 1.00 0.00 C ATOM 656 CD GLU A 45 12.576 11.441 -2.109 1.00 0.00 C ATOM 657 OE1 GLU A 45 13.637 10.951 -1.755 1.00 0.00 O ATOM 658 OE2 GLU A 45 11.669 11.729 -1.346 1.00 0.00 O ATOM 0 H GLU A 45 14.565 9.269 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 45 11.940 9.331 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.916 10.203 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.099 11.523 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.513 12.768 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.351 11.458 -3.890 1.00 0.00 H new ATOM 665 N ALA A 46 12.356 11.836 -7.111 1.00 0.00 N ATOM 666 CA ALA A 46 11.556 12.749 -7.975 1.00 0.00 C ATOM 667 C ALA A 46 10.427 11.964 -8.648 1.00 0.00 C ATOM 668 O ALA A 46 9.271 12.331 -8.572 1.00 0.00 O ATOM 669 CB ALA A 46 12.542 13.276 -9.018 1.00 0.00 C ATOM 0 H ALA A 46 13.368 11.936 -7.189 1.00 0.00 H new ATOM 0 HA ALA A 46 11.094 13.560 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.026 13.958 -9.694 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.353 13.805 -8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.951 12.441 -9.587 1.00 0.00 H new ATOM 675 N GLU A 47 10.755 10.881 -9.298 1.00 0.00 N ATOM 676 CA GLU A 47 9.703 10.063 -9.969 1.00 0.00 C ATOM 677 C GLU A 47 8.981 9.195 -8.935 1.00 0.00 C ATOM 678 O GLU A 47 7.774 9.056 -8.958 1.00 0.00 O ATOM 679 CB GLU A 47 10.461 9.189 -10.968 1.00 0.00 C ATOM 680 CG GLU A 47 11.259 10.078 -11.923 1.00 0.00 C ATOM 681 CD GLU A 47 10.313 10.709 -12.945 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.360 11.347 -12.526 1.00 0.00 O ATOM 683 OE2 GLU A 47 10.556 10.546 -14.129 1.00 0.00 O ATOM 0 H GLU A 47 11.707 10.526 -9.394 1.00 0.00 H new ATOM 0 HA GLU A 47 8.946 10.676 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.132 8.512 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.761 8.570 -11.530 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.778 10.856 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.022 9.489 -12.433 1.00 0.00 H new ATOM 690 N VAL A 48 9.715 8.620 -8.022 1.00 0.00 N ATOM 691 CA VAL A 48 9.079 7.768 -6.977 1.00 0.00 C ATOM 692 C VAL A 48 8.028 8.580 -6.224 1.00 0.00 C ATOM 693 O VAL A 48 6.842 8.323 -6.305 1.00 0.00 O ATOM 694 CB VAL A 48 10.221 7.385 -6.036 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.742 6.326 -5.045 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.388 6.827 -6.846 1.00 0.00 C ATOM 0 H VAL A 48 10.729 8.704 -7.954 1.00 0.00 H new ATOM 0 HA VAL A 48 8.581 6.893 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 48 10.546 8.271 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.560 6.057 -4.377 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.912 6.723 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.412 5.441 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.201 6.555 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.061 5.944 -7.395 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.737 7.583 -7.549 1.00 0.00 H new ATOM 706 N ASN A 49 8.464 9.567 -5.496 1.00 0.00 N ATOM 707 CA ASN A 49 7.515 10.418 -4.733 1.00 0.00 C ATOM 708 C ASN A 49 6.434 10.968 -5.673 1.00 0.00 C ATOM 709 O ASN A 49 5.261 10.962 -5.357 1.00 0.00 O ATOM 710 CB ASN A 49 8.398 11.539 -4.171 1.00 0.00 C ATOM 711 CG ASN A 49 7.586 12.827 -3.996 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.263 13.492 -4.960 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.240 13.206 -2.796 1.00 0.00 N ATOM 0 H ASN A 49 9.447 9.822 -5.397 1.00 0.00 H new ATOM 0 HA ASN A 49 6.986 9.882 -3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.817 11.234 -3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.237 11.720 -4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.698 14.061 -2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.511 12.648 -1.987 1.00 0.00 H new ATOM 720 N ASP A 50 6.820 11.438 -6.830 1.00 0.00 N ATOM 721 CA ASP A 50 5.812 11.981 -7.785 1.00 0.00 C ATOM 722 C ASP A 50 4.708 10.949 -8.026 1.00 0.00 C ATOM 723 O ASP A 50 3.534 11.252 -7.958 1.00 0.00 O ATOM 724 CB ASP A 50 6.588 12.249 -9.074 1.00 0.00 C ATOM 725 CG ASP A 50 7.134 13.679 -9.054 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.091 14.294 -8.001 1.00 0.00 O ATOM 727 OD2 ASP A 50 7.586 14.134 -10.092 1.00 0.00 O ATOM 0 H ASP A 50 7.787 11.469 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 50 5.329 12.883 -7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.407 11.537 -9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.938 12.109 -9.938 1.00 0.00 H new ATOM 732 N LEU A 51 5.077 9.728 -8.308 1.00 0.00 N ATOM 733 CA LEU A 51 4.048 8.677 -8.552 1.00 0.00 C ATOM 734 C LEU A 51 3.072 8.615 -7.374 1.00 0.00 C ATOM 735 O LEU A 51 1.876 8.747 -7.540 1.00 0.00 O ATOM 736 CB LEU A 51 4.835 7.371 -8.667 1.00 0.00 C ATOM 737 CG LEU A 51 5.082 7.052 -10.141 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.747 7.011 -10.887 1.00 0.00 C ATOM 739 CD2 LEU A 51 5.973 8.135 -10.754 1.00 0.00 C ATOM 0 H LEU A 51 6.045 9.414 -8.380 1.00 0.00 H new ATOM 0 HA LEU A 51 3.457 8.875 -9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.785 7.459 -8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.282 6.558 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 51 5.574 6.083 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.924 6.783 -11.938 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.110 6.241 -10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.254 7.979 -10.804 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.150 7.909 -11.805 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.479 9.103 -10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.925 8.166 -10.224 1.00 0.00 H new ATOM 751 N MET A 52 3.574 8.417 -6.186 1.00 0.00 N ATOM 752 CA MET A 52 2.673 8.348 -4.999 1.00 0.00 C ATOM 753 C MET A 52 1.952 9.685 -4.809 1.00 0.00 C ATOM 754 O MET A 52 0.750 9.734 -4.635 1.00 0.00 O ATOM 755 CB MET A 52 3.597 8.062 -3.815 1.00 0.00 C ATOM 756 CG MET A 52 2.859 8.354 -2.508 1.00 0.00 C ATOM 757 SD MET A 52 3.148 10.075 -2.023 1.00 0.00 S ATOM 758 CE MET A 52 4.940 9.950 -1.803 1.00 0.00 C ATOM 0 H MET A 52 4.567 8.300 -5.985 1.00 0.00 H new ATOM 0 HA MET A 52 1.904 7.584 -5.106 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.922 7.022 -3.837 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.494 8.677 -3.884 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.791 8.175 -2.633 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.206 7.681 -1.724 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.233 10.477 -0.895 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.224 8.901 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.444 10.396 -2.660 1.00 0.00 H new ATOM 768 N ASN A 53 2.676 10.771 -4.840 1.00 0.00 N ATOM 769 CA ASN A 53 2.031 12.103 -4.661 1.00 0.00 C ATOM 770 C ASN A 53 1.050 12.374 -5.804 1.00 0.00 C ATOM 771 O ASN A 53 0.029 13.008 -5.622 1.00 0.00 O ATOM 772 CB ASN A 53 3.183 13.108 -4.694 1.00 0.00 C ATOM 773 CG ASN A 53 3.065 14.059 -3.501 1.00 0.00 C ATOM 774 OD1 ASN A 53 3.001 13.626 -2.368 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.037 15.347 -3.709 1.00 0.00 N ATOM 0 H ASN A 53 3.686 10.793 -4.982 1.00 0.00 H new ATOM 0 HA ASN A 53 1.462 12.165 -3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.138 12.584 -4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.161 13.672 -5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.961 15.989 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.091 15.711 -4.660 1.00 0.00 H new ATOM 782 N GLU A 54 1.350 11.898 -6.982 1.00 0.00 N ATOM 783 CA GLU A 54 0.434 12.129 -8.135 1.00 0.00 C ATOM 784 C GLU A 54 -0.942 11.521 -7.846 1.00 0.00 C ATOM 785 O GLU A 54 -1.949 11.974 -8.353 1.00 0.00 O ATOM 786 CB GLU A 54 1.097 11.419 -9.317 1.00 0.00 C ATOM 787 CG GLU A 54 1.888 12.433 -10.144 1.00 0.00 C ATOM 788 CD GLU A 54 1.130 12.740 -11.437 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.921 11.821 -12.211 1.00 0.00 O ATOM 790 OE2 GLU A 54 0.771 13.890 -11.631 1.00 0.00 O ATOM 0 H GLU A 54 2.189 11.359 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 54 0.278 13.189 -8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.760 10.632 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.340 10.939 -9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.037 13.348 -9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.877 12.037 -10.375 1.00 0.00 H new ATOM 797 N ILE A 55 -0.991 10.500 -7.037 1.00 0.00 N ATOM 798 CA ILE A 55 -2.301 9.865 -6.717 1.00 0.00 C ATOM 799 C ILE A 55 -2.641 10.067 -5.237 1.00 0.00 C ATOM 800 O ILE A 55 -3.753 9.829 -4.808 1.00 0.00 O ATOM 801 CB ILE A 55 -2.107 8.381 -7.025 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.703 8.215 -8.492 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.415 7.630 -6.769 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.555 6.728 -8.818 1.00 0.00 C ATOM 0 H ILE A 55 -0.181 10.077 -6.583 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.120 10.297 -7.292 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.325 7.976 -6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.454 8.667 -9.140 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.764 8.735 -8.682 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.276 6.572 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.704 7.749 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.198 8.034 -7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.267 6.611 -9.863 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.788 6.290 -8.179 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.504 6.221 -8.644 1.00 0.00 H new ATOM 816 N ASP A 56 -1.693 10.505 -4.455 1.00 0.00 N ATOM 817 CA ASP A 56 -1.963 10.722 -3.004 1.00 0.00 C ATOM 818 C ASP A 56 -3.115 11.716 -2.826 1.00 0.00 C ATOM 819 O ASP A 56 -2.904 12.892 -2.607 1.00 0.00 O ATOM 820 CB ASP A 56 -0.665 11.299 -2.440 1.00 0.00 C ATOM 821 CG ASP A 56 -0.416 10.728 -1.043 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.273 10.902 -0.193 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.627 10.126 -0.847 1.00 0.00 O ATOM 0 H ASP A 56 -0.743 10.722 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.253 9.803 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.169 11.056 -3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.728 12.386 -2.394 1.00 0.00 H new ATOM 828 N VAL A 57 -4.330 11.251 -2.923 1.00 0.00 N ATOM 829 CA VAL A 57 -5.495 12.169 -2.762 1.00 0.00 C ATOM 830 C VAL A 57 -5.463 12.835 -1.384 1.00 0.00 C ATOM 831 O VAL A 57 -5.850 13.977 -1.228 1.00 0.00 O ATOM 832 CB VAL A 57 -6.728 11.273 -2.900 1.00 0.00 C ATOM 833 CG1 VAL A 57 -6.846 10.792 -4.345 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.591 10.063 -1.973 1.00 0.00 C ATOM 0 H VAL A 57 -4.567 10.276 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.491 12.972 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.619 11.839 -2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.724 10.154 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.945 11.652 -5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.954 10.227 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.470 9.427 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.700 9.496 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.505 10.403 -0.941 1.00 0.00 H new ATOM 844 N ASP A 58 -5.006 12.135 -0.383 1.00 0.00 N ATOM 845 CA ASP A 58 -4.953 12.735 0.982 1.00 0.00 C ATOM 846 C ASP A 58 -3.566 13.330 1.244 1.00 0.00 C ATOM 847 O ASP A 58 -3.412 14.249 2.023 1.00 0.00 O ATOM 848 CB ASP A 58 -5.233 11.576 1.940 1.00 0.00 C ATOM 849 CG ASP A 58 -4.061 10.594 1.919 1.00 0.00 C ATOM 850 OD1 ASP A 58 -2.951 11.020 2.189 1.00 0.00 O ATOM 851 OD2 ASP A 58 -4.295 9.430 1.636 1.00 0.00 O ATOM 0 H ASP A 58 -4.667 11.175 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.673 13.544 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.384 11.955 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.152 11.066 1.651 1.00 0.00 H new ATOM 856 N GLY A 59 -2.556 12.815 0.596 1.00 0.00 N ATOM 857 CA GLY A 59 -1.183 13.354 0.807 1.00 0.00 C ATOM 858 C GLY A 59 -0.577 12.743 2.072 1.00 0.00 C ATOM 859 O GLY A 59 -0.311 13.429 3.040 1.00 0.00 O ATOM 0 H GLY A 59 -2.623 12.045 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.556 13.126 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.218 14.440 0.897 1.00 0.00 H new ATOM 863 N ASN A 60 -0.354 11.457 2.074 1.00 0.00 N ATOM 864 CA ASN A 60 0.237 10.804 3.276 1.00 0.00 C ATOM 865 C ASN A 60 1.478 9.997 2.884 1.00 0.00 C ATOM 866 O ASN A 60 1.834 9.034 3.532 1.00 0.00 O ATOM 867 CB ASN A 60 -0.859 9.877 3.801 1.00 0.00 C ATOM 868 CG ASN A 60 -1.317 8.941 2.680 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.449 9.352 1.545 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.566 7.689 2.954 1.00 0.00 N ATOM 0 H ASN A 60 -0.556 10.830 1.295 1.00 0.00 H new ATOM 0 HA ASN A 60 0.553 11.529 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.485 9.296 4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.702 10.464 4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.871 7.056 2.215 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.455 7.344 3.907 1.00 0.00 H new ATOM 877 N HIS A 61 2.136 10.384 1.822 1.00 0.00 N ATOM 878 CA HIS A 61 3.356 9.645 1.375 1.00 0.00 C ATOM 879 C HIS A 61 2.974 8.267 0.825 1.00 0.00 C ATOM 880 O HIS A 61 3.821 7.484 0.445 1.00 0.00 O ATOM 881 CB HIS A 61 4.235 9.501 2.622 1.00 0.00 C ATOM 882 CG HIS A 61 4.215 10.783 3.411 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.948 12.010 2.821 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.429 11.046 4.741 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.007 12.945 3.787 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.296 12.412 4.976 1.00 0.00 N ATOM 0 H HIS A 61 1.880 11.183 1.242 1.00 0.00 H new ATOM 0 HA HIS A 61 3.877 10.173 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.875 8.678 3.239 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.257 9.258 2.332 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.665 10.306 5.491 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.841 13.999 3.620 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.398 12.900 5.866 1.00 0.00 H new ATOM 894 N GLN A 62 1.704 7.967 0.775 1.00 0.00 N ATOM 895 CA GLN A 62 1.265 6.643 0.246 1.00 0.00 C ATOM 896 C GLN A 62 -0.155 6.754 -0.313 1.00 0.00 C ATOM 897 O GLN A 62 -0.917 7.616 0.075 1.00 0.00 O ATOM 898 CB GLN A 62 1.288 5.696 1.449 1.00 0.00 C ATOM 899 CG GLN A 62 2.606 5.855 2.210 1.00 0.00 C ATOM 900 CD GLN A 62 2.687 4.800 3.314 1.00 0.00 C ATOM 901 OE1 GLN A 62 2.585 5.117 4.483 1.00 0.00 O ATOM 902 NE2 GLN A 62 2.869 3.549 2.992 1.00 0.00 N ATOM 0 H GLN A 62 0.950 8.583 1.078 1.00 0.00 H new ATOM 0 HA GLN A 62 1.908 6.288 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.448 5.912 2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.173 4.665 1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.448 5.747 1.527 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.671 6.854 2.641 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.955 3.282 2.011 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.926 2.838 3.721 1.00 0.00 H new ATOM 911 N ILE A 63 -0.517 5.891 -1.221 1.00 0.00 N ATOM 912 CA ILE A 63 -1.887 5.955 -1.798 1.00 0.00 C ATOM 913 C ILE A 63 -2.579 4.594 -1.683 1.00 0.00 C ATOM 914 O ILE A 63 -1.937 3.565 -1.601 1.00 0.00 O ATOM 915 CB ILE A 63 -1.678 6.324 -3.267 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.160 5.105 -4.033 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.661 7.462 -3.372 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.343 4.356 -4.650 1.00 0.00 C ATOM 0 H ILE A 63 0.076 5.146 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.519 6.676 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.627 6.646 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.467 5.419 -4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.608 4.447 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.514 7.723 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.031 8.332 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.288 7.143 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.978 3.487 -5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.019 4.030 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.876 5.017 -5.334 1.00 0.00 H new ATOM 930 N GLU A 64 -3.882 4.580 -1.691 1.00 0.00 N ATOM 931 CA GLU A 64 -4.616 3.288 -1.597 1.00 0.00 C ATOM 932 C GLU A 64 -5.159 2.912 -2.976 1.00 0.00 C ATOM 933 O GLU A 64 -5.053 3.671 -3.919 1.00 0.00 O ATOM 934 CB GLU A 64 -5.760 3.547 -0.617 1.00 0.00 C ATOM 935 CG GLU A 64 -5.210 4.213 0.648 1.00 0.00 C ATOM 936 CD GLU A 64 -6.034 5.461 0.966 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.186 5.503 0.570 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.497 6.354 1.601 1.00 0.00 O ATOM 0 H GLU A 64 -4.472 5.409 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.983 2.467 -1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.511 4.187 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.253 2.609 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.248 3.516 1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.163 4.482 0.505 1.00 0.00 H new ATOM 945 N PHE A 65 -5.737 1.751 -3.111 1.00 0.00 N ATOM 946 CA PHE A 65 -6.274 1.353 -4.443 1.00 0.00 C ATOM 947 C PHE A 65 -7.164 2.463 -5.007 1.00 0.00 C ATOM 948 O PHE A 65 -6.799 3.140 -5.946 1.00 0.00 O ATOM 949 CB PHE A 65 -7.096 0.091 -4.199 1.00 0.00 C ATOM 950 CG PHE A 65 -7.869 -0.219 -5.452 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.183 -0.478 -6.644 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.267 -0.227 -5.432 1.00 0.00 C ATOM 953 CE1 PHE A 65 -7.895 -0.748 -7.816 1.00 0.00 C ATOM 954 CE2 PHE A 65 -9.980 -0.499 -6.604 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.294 -0.759 -7.795 1.00 0.00 C ATOM 0 H PHE A 65 -5.860 1.066 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.475 1.179 -5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.444 -0.743 -3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.776 0.237 -3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.103 -0.469 -6.658 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.796 -0.023 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.366 -0.948 -8.736 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.060 -0.508 -6.590 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.845 -0.969 -8.700 1.00 0.00 H new ATOM 965 N SER A 66 -8.331 2.641 -4.442 1.00 0.00 N ATOM 966 CA SER A 66 -9.266 3.701 -4.934 1.00 0.00 C ATOM 967 C SER A 66 -8.487 4.926 -5.421 1.00 0.00 C ATOM 968 O SER A 66 -8.802 5.505 -6.442 1.00 0.00 O ATOM 969 CB SER A 66 -10.126 4.060 -3.725 1.00 0.00 C ATOM 970 OG SER A 66 -10.423 2.879 -2.992 1.00 0.00 O ATOM 0 H SER A 66 -8.680 2.094 -3.655 1.00 0.00 H new ATOM 0 HA SER A 66 -9.865 3.357 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.601 4.773 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.048 4.541 -4.050 1.00 0.00 H new ATOM 0 HG SER A 66 -10.974 3.107 -2.214 1.00 0.00 H new ATOM 976 N GLU A 67 -7.462 5.320 -4.713 1.00 0.00 N ATOM 977 CA GLU A 67 -6.666 6.496 -5.162 1.00 0.00 C ATOM 978 C GLU A 67 -6.049 6.187 -6.526 1.00 0.00 C ATOM 979 O GLU A 67 -6.124 6.974 -7.449 1.00 0.00 O ATOM 980 CB GLU A 67 -5.579 6.675 -4.102 1.00 0.00 C ATOM 981 CG GLU A 67 -6.225 6.810 -2.723 1.00 0.00 C ATOM 982 CD GLU A 67 -5.285 7.581 -1.796 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.469 8.332 -2.305 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.395 7.407 -0.593 1.00 0.00 O ATOM 0 H GLU A 67 -7.144 4.881 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.266 7.400 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.900 5.822 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.983 7.560 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.179 7.330 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.434 5.824 -2.309 1.00 0.00 H new ATOM 991 N PHE A 68 -5.454 5.033 -6.660 1.00 0.00 N ATOM 992 CA PHE A 68 -4.850 4.650 -7.966 1.00 0.00 C ATOM 993 C PHE A 68 -5.905 4.784 -9.065 1.00 0.00 C ATOM 994 O PHE A 68 -5.626 5.236 -10.158 1.00 0.00 O ATOM 995 CB PHE A 68 -4.423 3.190 -7.777 1.00 0.00 C ATOM 996 CG PHE A 68 -4.338 2.487 -9.114 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.588 3.045 -10.156 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.003 1.270 -9.303 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.506 2.385 -11.388 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.918 0.609 -10.534 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.170 1.167 -11.577 1.00 0.00 C ATOM 0 H PHE A 68 -5.360 4.338 -5.919 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.007 5.277 -8.257 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.456 3.149 -7.276 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.137 2.676 -7.134 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.073 3.983 -10.010 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.582 0.841 -8.499 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.930 2.816 -12.193 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.429 -0.331 -10.679 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.105 0.658 -12.527 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.120 4.407 -8.774 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.203 4.520 -9.789 1.00 0.00 C ATOM 1013 C LEU A 69 -8.464 5.995 -10.100 1.00 0.00 C ATOM 1014 O LEU A 69 -8.582 6.389 -11.244 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.429 3.886 -9.132 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.499 2.404 -9.504 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.901 2.265 -10.972 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.128 1.758 -9.289 1.00 0.00 C ATOM 0 H LEU A 69 -7.409 4.024 -7.874 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.949 4.030 -10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.373 3.998 -8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.335 4.397 -9.459 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.238 1.907 -8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.951 1.209 -11.237 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.877 2.725 -11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.162 2.762 -11.600 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.178 0.702 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.389 2.255 -9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.840 1.856 -8.242 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.548 6.814 -9.087 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.794 8.264 -9.321 1.00 0.00 C ATOM 1032 C ALA A 70 -7.835 8.785 -10.395 1.00 0.00 C ATOM 1033 O ALA A 70 -8.223 9.513 -11.287 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.511 8.935 -7.975 1.00 0.00 C ATOM 0 H ALA A 70 -8.457 6.541 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.807 8.466 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.670 10.010 -8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.183 8.530 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.478 8.744 -7.683 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.588 8.412 -10.316 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.604 8.878 -11.335 1.00 0.00 C ATOM 1042 C LEU A 71 -5.640 7.959 -12.558 1.00 0.00 C ATOM 1043 O LEU A 71 -5.220 8.329 -13.637 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.245 8.795 -10.641 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.174 9.420 -11.537 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -2.643 10.696 -10.883 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.025 8.427 -11.725 1.00 0.00 C ATOM 0 H LEU A 71 -6.207 7.805 -9.590 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.819 9.887 -11.688 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.282 9.315 -9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.996 7.755 -10.430 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.608 9.663 -12.507 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.880 11.142 -11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.461 11.403 -10.748 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.209 10.454 -9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.261 8.871 -12.363 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.591 8.185 -10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.403 7.517 -12.191 1.00 0.00 H new ATOM 1059 N MET A 72 -6.139 6.762 -12.401 1.00 0.00 N ATOM 1060 CA MET A 72 -6.202 5.822 -13.556 1.00 0.00 C ATOM 1061 C MET A 72 -7.304 6.252 -14.527 1.00 0.00 C ATOM 1062 O MET A 72 -7.044 6.847 -15.554 1.00 0.00 O ATOM 1063 CB MET A 72 -6.528 4.459 -12.946 1.00 0.00 C ATOM 1064 CG MET A 72 -5.412 3.472 -13.284 1.00 0.00 C ATOM 1065 SD MET A 72 -5.322 3.251 -15.079 1.00 0.00 S ATOM 1066 CE MET A 72 -3.980 2.038 -15.091 1.00 0.00 C ATOM 0 H MET A 72 -6.506 6.395 -11.523 1.00 0.00 H new ATOM 0 HA MET A 72 -5.270 5.801 -14.120 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.635 4.548 -11.865 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.480 4.094 -13.331 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.459 3.841 -12.904 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.600 2.514 -12.798 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.671 1.848 -16.119 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.134 2.426 -14.523 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.326 1.109 -14.638 1.00 0.00 H new ATOM 1076 N SER A 73 -8.535 5.953 -14.209 1.00 0.00 N ATOM 1077 CA SER A 73 -9.655 6.345 -15.114 1.00 0.00 C ATOM 1078 C SER A 73 -10.374 7.578 -14.561 1.00 0.00 C ATOM 1079 O SER A 73 -9.799 8.376 -13.848 1.00 0.00 O ATOM 1080 CB SER A 73 -10.593 5.139 -15.129 1.00 0.00 C ATOM 1081 OG SER A 73 -11.799 5.489 -15.795 1.00 0.00 O ATOM 0 H SER A 73 -8.814 5.455 -13.363 1.00 0.00 H new ATOM 0 HA SER A 73 -9.307 6.602 -16.114 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.116 4.299 -15.634 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.807 4.818 -14.110 1.00 0.00 H new ATOM 0 HG SER A 73 -12.555 5.378 -15.182 1.00 0.00 H new ATOM 1087 N ARG A 74 -11.628 7.741 -14.884 1.00 0.00 N ATOM 1088 CA ARG A 74 -12.382 8.923 -14.375 1.00 0.00 C ATOM 1089 C ARG A 74 -11.726 10.218 -14.861 1.00 0.00 C ATOM 1090 O ARG A 74 -11.237 10.300 -15.970 1.00 0.00 O ATOM 1091 CB ARG A 74 -12.302 8.819 -12.852 1.00 0.00 C ATOM 1092 CG ARG A 74 -13.649 9.205 -12.242 1.00 0.00 C ATOM 1093 CD ARG A 74 -13.981 8.254 -11.090 1.00 0.00 C ATOM 1094 NE ARG A 74 -14.063 9.124 -9.884 1.00 0.00 N ATOM 1095 CZ ARG A 74 -14.681 8.702 -8.816 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -14.546 7.463 -8.430 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -15.436 9.519 -8.133 1.00 0.00 N ATOM 0 H ARG A 74 -12.163 7.108 -15.478 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.413 8.938 -14.728 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.037 7.803 -12.560 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.518 9.475 -12.473 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.615 10.233 -11.880 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.430 9.160 -13.001 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.923 7.734 -11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.212 7.490 -10.974 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.636 10.050 -9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.957 6.824 -8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.030 7.134 -7.595 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.543 10.488 -8.435 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.919 9.189 -7.298 1.00 0.00 H new ATOM 1111 N GLN A 75 -11.710 11.231 -14.039 1.00 0.00 N ATOM 1112 CA GLN A 75 -11.086 12.520 -14.455 1.00 0.00 C ATOM 1113 C GLN A 75 -11.743 13.036 -15.738 1.00 0.00 C ATOM 1114 O GLN A 75 -12.815 12.606 -16.114 1.00 0.00 O ATOM 1115 CB GLN A 75 -9.615 12.185 -14.702 1.00 0.00 C ATOM 1116 CG GLN A 75 -8.731 13.253 -14.055 1.00 0.00 C ATOM 1117 CD GLN A 75 -7.508 13.509 -14.938 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -7.641 13.828 -16.102 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -6.313 13.380 -14.429 1.00 0.00 N ATOM 0 H GLN A 75 -12.102 11.222 -13.097 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.206 13.299 -13.703 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.380 11.204 -14.288 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.418 12.135 -15.773 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.296 14.176 -13.922 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.415 12.927 -13.064 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.201 13.112 -13.451 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.491 13.547 -15.009 1.00 0.00 H new ATOM 1128 N LEU A 76 -11.107 13.954 -16.413 1.00 0.00 N ATOM 1129 CA LEU A 76 -11.696 14.497 -17.671 1.00 0.00 C ATOM 1130 C LEU A 76 -12.126 13.351 -18.591 1.00 0.00 C ATOM 1131 O LEU A 76 -11.323 12.777 -19.300 1.00 0.00 O ATOM 1132 CB LEU A 76 -10.573 15.310 -18.316 1.00 0.00 C ATOM 1133 CG LEU A 76 -10.935 16.796 -18.285 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -10.546 17.389 -16.930 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -10.179 17.526 -19.397 1.00 0.00 C ATOM 0 H LEU A 76 -10.206 14.352 -16.149 1.00 0.00 H new ATOM 0 HA LEU A 76 -12.582 15.104 -17.484 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.637 15.142 -17.784 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.418 14.984 -19.345 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.008 16.912 -18.436 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.804 18.448 -16.909 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.083 16.868 -16.137 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.473 17.274 -16.777 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.436 18.585 -19.377 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.106 17.410 -19.245 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.456 17.104 -20.363 1.00 0.00 H new ATOM 1147 N LYS A 77 -13.386 13.013 -18.585 1.00 0.00 N ATOM 1148 CA LYS A 77 -13.865 11.905 -19.460 1.00 0.00 C ATOM 1149 C LYS A 77 -15.090 12.354 -20.261 1.00 0.00 C ATOM 1150 O LYS A 77 -15.835 11.493 -20.700 1.00 0.00 O ATOM 1151 CB LYS A 77 -14.238 10.775 -18.499 1.00 0.00 C ATOM 1152 CG LYS A 77 -14.107 9.430 -19.216 1.00 0.00 C ATOM 1153 CD LYS A 77 -15.459 8.713 -19.208 1.00 0.00 C ATOM 1154 CE LYS A 77 -15.288 7.308 -18.625 1.00 0.00 C ATOM 1155 NZ LYS A 77 -16.134 7.294 -17.400 1.00 0.00 N ATOM 1156 OXT LYS A 77 -15.261 13.552 -20.423 1.00 0.00 O ATOM 0 H LYS A 77 -14.105 13.456 -18.012 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.110 11.594 -20.183 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.588 10.798 -17.625 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.259 10.910 -18.141 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.771 9.584 -20.241 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.354 8.815 -18.723 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.179 9.279 -18.617 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.856 8.652 -20.221 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.608 6.545 -19.334 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.244 7.104 -18.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.069 6.362 -16.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.802 8.026 -16.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.123 7.484 -17.659 1.00 0.00 H new TER 1170 LYS A 77 HETATM 1171 CA CA A 101 1.786 -0.863 1.874 1.00 0.00 CA HETATM 1172 CA CA A 102 -3.002 8.861 -0.391 1.00 0.00 CA