USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 617 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 44 THR OG1 : rot 111:sc= 0.0305 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.0635 USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0.00223 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.533 X(o=-0.27,f=-0.61) USER MOD Set 2.3: A 54 TYR OH : rot 180:sc= 0.263 USER MOD Single : A 1 SER N :NH3+ 157:sc= 0.0843 (180deg=0.00673) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0585 USER MOD Single : A 2 HIS : no HE2:sc= -1.48! C(o=-1.5!,f=-7!) USER MOD Single : A 3 MET CE :methyl -171:sc= 0 (180deg=-0.13) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.356 F(o=-1.5,f=-0.36) USER MOD Single : A 16 ASN : amide:sc= 0.0211 X(o=0.021,f=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0951 F(o=-1,f=-0.095) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 146:sc= -1.66 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= 1.06 (180deg=0.589) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 100:sc= -0.421 USER MOD Single : A 39 CYS SG : rot 160:sc= -1.71 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.47) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0258 USER MOD Single : A 47 CYS SG : rot 10:sc= -3.31! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 90:sc= 0.654 USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0251) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.677 -8.056 16.896 1.00 0.00 N ATOM 2 CA SER A 1 3.628 -8.190 15.422 1.00 0.00 C ATOM 3 C SER A 1 3.551 -6.826 14.755 1.00 0.00 C ATOM 4 O SER A 1 2.744 -6.027 15.202 1.00 0.00 O ATOM 5 CB SER A 1 2.393 -9.021 15.047 1.00 0.00 C ATOM 6 OG SER A 1 2.463 -10.223 15.768 1.00 0.00 O ATOM 0 H1 SER A 1 3.343 -8.937 17.336 1.00 0.00 H new ATOM 0 H2 SER A 1 4.655 -7.868 17.195 1.00 0.00 H new ATOM 0 H3 SER A 1 3.067 -7.268 17.193 1.00 0.00 H new ATOM 0 HA SER A 1 4.537 -8.683 15.077 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.478 -8.480 15.290 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.373 -9.217 13.975 1.00 0.00 H new ATOM 0 HG SER A 1 1.685 -10.779 15.553 1.00 0.00 H new ATOM 13 N HIS A 2 4.316 -6.520 13.685 1.00 0.00 N ATOM 14 CA HIS A 2 4.191 -5.238 12.939 1.00 0.00 C ATOM 15 C HIS A 2 4.924 -5.266 11.551 1.00 0.00 C ATOM 16 O HIS A 2 4.387 -5.830 10.598 1.00 0.00 O ATOM 17 CB HIS A 2 4.628 -4.049 13.836 1.00 0.00 C ATOM 18 CG HIS A 2 6.060 -3.977 14.241 1.00 0.00 C ATOM 19 ND1 HIS A 2 6.878 -2.933 13.935 1.00 0.00 N ATOM 20 CD2 HIS A 2 6.784 -4.871 14.979 1.00 0.00 C ATOM 21 CE1 HIS A 2 8.080 -3.201 14.440 1.00 0.00 C ATOM 22 NE2 HIS A 2 8.081 -4.367 15.101 1.00 0.00 N ATOM 0 H HIS A 2 5.032 -7.144 13.313 1.00 0.00 H new ATOM 0 HA HIS A 2 3.139 -5.095 12.693 1.00 0.00 H new ATOM 0 HB2 HIS A 2 4.381 -3.125 13.313 1.00 0.00 H new ATOM 0 HB3 HIS A 2 4.024 -4.073 14.743 1.00 0.00 H new ATOM 0 HD1 HIS A 2 6.617 -2.096 13.413 1.00 0.00 H new ATOM 0 HD2 HIS A 2 6.419 -5.799 15.393 1.00 0.00 H new ATOM 0 HE1 HIS A 2 8.943 -2.561 14.331 1.00 0.00 H new ATOM 30 N MET A 3 6.191 -4.834 11.467 1.00 0.00 N ATOM 31 CA MET A 3 7.137 -4.875 10.316 1.00 0.00 C ATOM 32 C MET A 3 7.558 -6.290 9.905 1.00 0.00 C ATOM 33 O MET A 3 8.700 -6.529 9.524 1.00 0.00 O ATOM 34 CB MET A 3 8.344 -3.966 10.627 1.00 0.00 C ATOM 35 CG MET A 3 7.965 -2.483 10.727 1.00 0.00 C ATOM 36 SD MET A 3 9.342 -1.455 11.292 1.00 0.00 S ATOM 37 CE MET A 3 8.409 0.010 11.802 1.00 0.00 C ATOM 0 H MET A 3 6.633 -4.402 12.278 1.00 0.00 H new ATOM 0 HA MET A 3 6.612 -4.494 9.440 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.799 -4.283 11.565 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.097 -4.092 9.849 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.628 -2.130 9.752 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.126 -2.371 11.414 1.00 0.00 H new ATOM 0 HE1 MET A 3 9.101 0.820 12.032 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.745 0.318 10.994 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.818 -0.225 12.687 1.00 0.00 H new ATOM 47 N THR A 4 6.649 -7.266 10.022 1.00 0.00 N ATOM 48 CA THR A 4 6.844 -8.648 9.587 1.00 0.00 C ATOM 49 C THR A 4 5.961 -8.957 8.403 1.00 0.00 C ATOM 50 O THR A 4 6.443 -9.078 7.291 1.00 0.00 O ATOM 51 CB THR A 4 6.608 -9.613 10.753 1.00 0.00 C ATOM 52 OG1 THR A 4 6.188 -10.880 10.315 1.00 0.00 O ATOM 53 CG2 THR A 4 5.645 -9.160 11.853 1.00 0.00 C ATOM 0 H THR A 4 5.730 -7.107 10.435 1.00 0.00 H new ATOM 0 HA THR A 4 7.876 -8.779 9.263 1.00 0.00 H new ATOM 0 HB THR A 4 7.599 -9.644 11.206 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.051 -11.465 11.089 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.571 -9.937 12.614 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.017 -8.242 12.307 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.660 -8.979 11.422 1.00 0.00 H new ATOM 61 N ALA A 5 4.661 -8.960 8.633 1.00 0.00 N ATOM 62 CA ALA A 5 3.651 -9.364 7.672 1.00 0.00 C ATOM 63 C ALA A 5 3.597 -8.361 6.530 1.00 0.00 C ATOM 64 O ALA A 5 3.660 -8.689 5.355 1.00 0.00 O ATOM 65 CB ALA A 5 2.374 -9.371 8.511 1.00 0.00 C ATOM 0 H ALA A 5 4.265 -8.670 9.527 1.00 0.00 H new ATOM 0 HA ALA A 5 3.832 -10.328 7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.530 -9.665 7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.482 -10.080 9.332 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.198 -8.374 8.914 1.00 0.00 H new ATOM 71 N VAL A 6 3.535 -7.099 6.953 1.00 0.00 N ATOM 72 CA VAL A 6 3.693 -5.883 6.181 1.00 0.00 C ATOM 73 C VAL A 6 5.003 -5.919 5.386 1.00 0.00 C ATOM 74 O VAL A 6 4.970 -5.578 4.211 1.00 0.00 O ATOM 75 CB VAL A 6 3.636 -4.671 7.132 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.005 -3.384 6.405 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.243 -4.522 7.775 1.00 0.00 C ATOM 0 H VAL A 6 3.356 -6.891 7.935 1.00 0.00 H new ATOM 0 HA VAL A 6 2.882 -5.795 5.458 1.00 0.00 H new ATOM 0 HB VAL A 6 4.365 -4.852 7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.956 -2.546 7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.017 -3.468 6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.306 -3.216 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.239 -3.658 8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.495 -4.383 6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.008 -5.420 8.347 1.00 0.00 H new ATOM 87 N GLN A 7 6.127 -6.370 5.965 1.00 0.00 N ATOM 88 CA GLN A 7 7.401 -6.419 5.242 1.00 0.00 C ATOM 89 C GLN A 7 7.365 -7.407 4.078 1.00 0.00 C ATOM 90 O GLN A 7 7.563 -7.047 2.922 1.00 0.00 O ATOM 91 CB GLN A 7 8.514 -6.723 6.270 1.00 0.00 C ATOM 92 CG GLN A 7 9.949 -6.691 5.713 1.00 0.00 C ATOM 93 CD GLN A 7 10.275 -5.378 5.016 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.619 -4.296 5.394 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 11.097 -5.309 4.114 1.00 0.00 N flip ATOM 0 H GLN A 7 6.176 -6.704 6.928 1.00 0.00 H new ATOM 0 HA GLN A 7 7.606 -5.457 4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.441 -6.002 7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.330 -7.708 6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.655 -6.851 6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 7 10.081 -7.514 5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.604 -6.144 3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.276 -4.416 3.654 1.00 0.00 H new ATOM 104 N ASP A 8 7.030 -8.640 4.407 1.00 0.00 N ATOM 105 CA ASP A 8 6.857 -9.793 3.506 1.00 0.00 C ATOM 106 C ASP A 8 5.861 -9.523 2.355 1.00 0.00 C ATOM 107 O ASP A 8 6.167 -9.815 1.201 1.00 0.00 O ATOM 108 CB ASP A 8 6.429 -11.008 4.350 1.00 0.00 C ATOM 109 CG ASP A 8 6.534 -12.344 3.596 1.00 0.00 C ATOM 110 OD1 ASP A 8 7.709 -12.714 3.223 1.00 0.00 O ATOM 111 OD2 ASP A 8 5.544 -13.060 3.499 1.00 0.00 O1- ATOM 0 H ASP A 8 6.856 -8.894 5.379 1.00 0.00 H new ATOM 0 HA ASP A 8 7.810 -9.992 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.049 -11.055 5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.400 -10.866 4.681 1.00 0.00 H new ATOM 116 N PHE A 9 4.728 -8.869 2.657 1.00 0.00 N ATOM 117 CA PHE A 9 3.810 -8.317 1.662 1.00 0.00 C ATOM 118 C PHE A 9 4.508 -7.272 0.789 1.00 0.00 C ATOM 119 O PHE A 9 4.406 -7.336 -0.432 1.00 0.00 O ATOM 120 CB PHE A 9 2.624 -7.666 2.392 1.00 0.00 C ATOM 121 CG PHE A 9 1.742 -6.866 1.457 1.00 0.00 C ATOM 122 CD1 PHE A 9 2.060 -5.538 1.098 1.00 0.00 C ATOM 123 CD2 PHE A 9 0.595 -7.465 0.928 1.00 0.00 C ATOM 124 CE1 PHE A 9 1.276 -4.844 0.162 1.00 0.00 C ATOM 125 CE2 PHE A 9 -0.221 -6.740 0.048 1.00 0.00 C ATOM 126 CZ PHE A 9 0.132 -5.452 -0.375 1.00 0.00 C ATOM 0 H PHE A 9 4.424 -8.709 3.617 1.00 0.00 H new ATOM 0 HA PHE A 9 3.464 -9.123 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.029 -8.440 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.999 -7.014 3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.913 -5.052 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.339 -8.480 1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.553 -3.846 -0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.139 -7.183 -0.310 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.470 -4.933 -1.106 1.00 0.00 H new ATOM 136 N VAL A 10 5.147 -6.279 1.416 1.00 0.00 N ATOM 137 CA VAL A 10 5.803 -5.158 0.715 1.00 0.00 C ATOM 138 C VAL A 10 6.792 -5.658 -0.347 1.00 0.00 C ATOM 139 O VAL A 10 6.661 -5.262 -1.504 1.00 0.00 O ATOM 140 CB VAL A 10 6.470 -4.149 1.682 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.495 -3.213 1.017 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.429 -3.227 2.346 1.00 0.00 C ATOM 0 H VAL A 10 5.227 -6.225 2.431 1.00 0.00 H new ATOM 0 HA VAL A 10 5.010 -4.613 0.203 1.00 0.00 H new ATOM 0 HB VAL A 10 6.978 -4.789 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.913 -2.540 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.296 -3.806 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.003 -2.629 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.934 -2.533 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.897 -2.666 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.719 -3.829 2.913 1.00 0.00 H new ATOM 152 N VAL A 11 7.726 -6.544 0.013 1.00 0.00 N ATOM 153 CA VAL A 11 8.708 -7.136 -0.941 1.00 0.00 C ATOM 154 C VAL A 11 8.157 -7.889 -2.154 1.00 0.00 C ATOM 155 O VAL A 11 8.898 -8.039 -3.133 1.00 0.00 O ATOM 156 CB VAL A 11 9.939 -7.852 -0.334 1.00 0.00 C ATOM 157 CG1 VAL A 11 11.219 -7.018 -0.535 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.816 -8.017 1.177 1.00 0.00 C ATOM 0 H VAL A 11 7.834 -6.880 0.970 1.00 0.00 H new ATOM 0 HA VAL A 11 9.084 -6.196 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 11 9.988 -8.817 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.068 -7.544 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.393 -6.869 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.103 -6.050 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.701 -8.524 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.728 -7.036 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.930 -8.609 1.407 1.00 0.00 H new ATOM 168 N ASP A 12 6.885 -8.302 -2.143 1.00 0.00 N ATOM 169 CA ASP A 12 6.204 -8.750 -3.359 1.00 0.00 C ATOM 170 C ASP A 12 6.201 -7.660 -4.441 1.00 0.00 C ATOM 171 O ASP A 12 6.796 -7.854 -5.484 1.00 0.00 O ATOM 172 CB ASP A 12 4.779 -9.204 -3.053 1.00 0.00 C ATOM 173 CG ASP A 12 4.095 -9.696 -4.332 1.00 0.00 C ATOM 174 OD1 ASP A 12 3.997 -10.926 -4.505 1.00 0.00 O ATOM 175 OD2 ASP A 12 3.550 -8.841 -5.078 1.00 0.00 O1- ATOM 0 H ASP A 12 6.307 -8.335 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 12 6.762 -9.602 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.795 -10.002 -2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.211 -8.379 -2.622 1.00 0.00 H new ATOM 180 N ILE A 13 5.621 -6.491 -4.168 1.00 0.00 N ATOM 181 CA ILE A 13 5.655 -5.297 -5.052 1.00 0.00 C ATOM 182 C ILE A 13 7.123 -4.934 -5.247 1.00 0.00 C ATOM 183 O ILE A 13 7.553 -4.671 -6.367 1.00 0.00 O ATOM 184 CB ILE A 13 4.932 -4.130 -4.380 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.436 -4.385 -4.118 1.00 0.00 C ATOM 186 CG2 ILE A 13 5.101 -2.900 -5.293 1.00 0.00 C ATOM 187 CD1 ILE A 13 3.120 -5.350 -2.975 1.00 0.00 C ATOM 0 H ILE A 13 5.098 -6.331 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 13 5.165 -5.505 -6.003 1.00 0.00 H new ATOM 0 HB ILE A 13 5.376 -3.980 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.955 -3.430 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.987 -4.773 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.597 -2.043 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.161 -2.677 -5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.664 -3.109 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.040 -5.457 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.564 -6.323 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.531 -4.959 -2.044 1.00 0.00 H new ATOM 199 N LEU A 14 7.868 -4.863 -4.134 1.00 0.00 N ATOM 200 CA LEU A 14 9.088 -4.079 -4.060 1.00 0.00 C ATOM 201 C LEU A 14 10.166 -4.630 -5.000 1.00 0.00 C ATOM 202 O LEU A 14 10.752 -3.879 -5.783 1.00 0.00 O ATOM 203 CB LEU A 14 9.620 -4.028 -2.607 1.00 0.00 C ATOM 204 CG LEU A 14 10.198 -2.669 -2.173 1.00 0.00 C ATOM 205 CD1 LEU A 14 11.055 -2.845 -0.912 1.00 0.00 C ATOM 206 CD2 LEU A 14 11.023 -2.005 -3.280 1.00 0.00 C ATOM 0 H LEU A 14 7.634 -5.349 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 14 8.846 -3.066 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.809 -4.294 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.393 -4.788 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 14 9.356 -2.011 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.461 -1.879 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.440 -3.247 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.874 -3.533 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.408 -1.050 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.856 -2.653 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.393 -1.839 -4.154 1.00 0.00 H new ATOM 218 N LEU A 15 10.476 -5.922 -4.833 1.00 0.00 N ATOM 219 CA LEU A 15 11.513 -6.621 -5.592 1.00 0.00 C ATOM 220 C LEU A 15 10.891 -7.560 -6.620 1.00 0.00 C ATOM 221 O LEU A 15 11.381 -7.615 -7.750 1.00 0.00 O ATOM 222 CB LEU A 15 12.410 -7.449 -4.654 1.00 0.00 C ATOM 223 CG LEU A 15 13.644 -6.723 -4.063 1.00 0.00 C ATOM 224 CD1 LEU A 15 14.743 -6.600 -5.130 1.00 0.00 C ATOM 225 CD2 LEU A 15 13.376 -5.324 -3.489 1.00 0.00 C ATOM 0 H LEU A 15 10.003 -6.519 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 15 12.111 -5.864 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.798 -7.811 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.758 -8.326 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 15 13.950 -7.347 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.607 -6.088 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.039 -7.595 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.364 -6.030 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.305 -4.905 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.986 -4.677 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.646 -5.395 -2.682 1.00 0.00 H new ATOM 237 N ASN A 16 9.861 -8.325 -6.225 1.00 0.00 N ATOM 238 CA ASN A 16 9.230 -9.263 -7.139 1.00 0.00 C ATOM 239 C ASN A 16 8.346 -8.534 -8.189 1.00 0.00 C ATOM 240 O ASN A 16 8.079 -9.118 -9.240 1.00 0.00 O ATOM 241 CB ASN A 16 8.489 -10.399 -6.395 1.00 0.00 C ATOM 242 CG ASN A 16 9.410 -11.312 -5.593 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.923 -12.283 -6.133 1.00 0.00 O ATOM 244 ND2 ASN A 16 9.598 -11.033 -4.313 1.00 0.00 N ATOM 0 H ASN A 16 9.458 -8.306 -5.288 1.00 0.00 H new ATOM 0 HA ASN A 16 10.024 -9.755 -7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.752 -9.960 -5.722 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.940 -10.999 -7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.188 -11.637 -3.741 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.153 -10.214 -3.899 1.00 0.00 H new ATOM 251 N GLY A 17 7.934 -7.280 -7.934 1.00 0.00 N ATOM 252 CA GLY A 17 6.977 -6.522 -8.756 1.00 0.00 C ATOM 253 C GLY A 17 5.521 -6.924 -8.525 1.00 0.00 C ATOM 254 O GLY A 17 5.185 -8.083 -8.291 1.00 0.00 O ATOM 0 H GLY A 17 8.267 -6.752 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.090 -5.459 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.222 -6.664 -9.809 1.00 0.00 H new ATOM 258 N ALA A 18 4.644 -5.930 -8.647 1.00 0.00 N ATOM 259 CA ALA A 18 3.209 -6.022 -8.416 1.00 0.00 C ATOM 260 C ALA A 18 2.441 -6.765 -9.529 1.00 0.00 C ATOM 261 O ALA A 18 2.987 -7.391 -10.444 1.00 0.00 O ATOM 262 CB ALA A 18 2.671 -4.597 -8.209 1.00 0.00 C ATOM 0 H ALA A 18 4.933 -4.992 -8.924 1.00 0.00 H new ATOM 0 HA ALA A 18 3.045 -6.629 -7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.596 -4.636 -8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.163 -4.144 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.872 -3.999 -9.098 1.00 0.00 H new ATOM 268 N ARG A 19 1.110 -6.733 -9.426 1.00 0.00 N ATOM 269 CA ARG A 19 0.185 -6.814 -10.579 1.00 0.00 C ATOM 270 C ARG A 19 0.386 -5.624 -11.534 1.00 0.00 C ATOM 271 O ARG A 19 1.476 -5.079 -11.653 1.00 0.00 O ATOM 272 CB ARG A 19 -1.281 -6.918 -10.124 1.00 0.00 C ATOM 273 CG ARG A 19 -1.594 -7.979 -9.077 1.00 0.00 C ATOM 274 CD ARG A 19 -0.930 -9.372 -9.173 1.00 0.00 C ATOM 275 NE ARG A 19 -0.948 -9.937 -10.544 1.00 0.00 N ATOM 276 CZ ARG A 19 -1.813 -10.813 -11.048 1.00 0.00 C ATOM 277 NH1 ARG A 19 -2.767 -11.393 -10.343 1.00 0.00 N ATOM 278 NH2 ARG A 19 -1.751 -11.126 -12.322 1.00 0.00 N ATOM 0 H ARG A 19 0.629 -6.649 -8.530 1.00 0.00 H new ATOM 0 HA ARG A 19 0.422 -7.727 -11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.585 -5.949 -9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.898 -7.112 -11.002 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.335 -7.562 -8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.673 -8.132 -9.082 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.102 -9.299 -8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.442 -10.058 -8.498 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.212 -9.617 -11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.872 -11.177 -9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.399 -12.057 -10.790 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.043 -10.698 -12.918 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.411 -11.797 -12.715 1.00 0.00 H new ATOM 292 N ASP A 20 -0.686 -5.268 -12.254 1.00 0.00 N ATOM 293 CA ASP A 20 -0.828 -4.099 -13.166 1.00 0.00 C ATOM 294 C ASP A 20 -0.278 -2.740 -12.663 1.00 0.00 C ATOM 295 O ASP A 20 -0.324 -1.749 -13.385 1.00 0.00 O ATOM 296 CB ASP A 20 -2.334 -3.950 -13.454 1.00 0.00 C ATOM 297 CG ASP A 20 -2.740 -3.139 -14.694 1.00 0.00 C ATOM 298 OD1 ASP A 20 -3.244 -3.772 -15.659 1.00 0.00 O ATOM 299 OD2 ASP A 20 -2.844 -1.907 -14.642 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.543 -5.820 -12.220 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.214 -4.319 -14.039 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.759 -4.949 -13.551 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.800 -3.489 -12.583 1.00 0.00 H new ATOM 304 N TRP A 21 0.172 -2.660 -11.409 1.00 0.00 N ATOM 305 CA TRP A 21 0.735 -1.471 -10.796 1.00 0.00 C ATOM 306 C TRP A 21 2.171 -1.203 -11.261 1.00 0.00 C ATOM 307 O TRP A 21 2.961 -2.104 -11.549 1.00 0.00 O ATOM 308 CB TRP A 21 0.641 -1.570 -9.261 1.00 0.00 C ATOM 309 CG TRP A 21 -0.741 -1.822 -8.720 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.608 -2.796 -9.087 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.486 -0.997 -7.780 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.837 -2.586 -8.520 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.832 -1.455 -7.737 1.00 0.00 C ATOM 314 CE3 TRP A 21 -1.163 0.151 -7.033 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.825 -0.787 -7.016 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -2.156 0.841 -6.313 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.479 0.362 -6.288 1.00 0.00 C ATOM 0 H TRP A 21 0.150 -3.458 -10.774 1.00 0.00 H new ATOM 0 HA TRP A 21 0.145 -0.614 -11.123 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.298 -2.372 -8.923 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.020 -0.644 -8.829 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.364 -3.623 -9.737 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.648 -3.188 -8.660 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.143 0.506 -7.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.843 -1.149 -7.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.901 1.743 -5.777 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.229 0.879 -5.708 1.00 0.00 H new ATOM 328 N ASP A 22 2.497 0.079 -11.242 1.00 0.00 N ATOM 329 CA ASP A 22 3.853 0.598 -11.407 1.00 0.00 C ATOM 330 C ASP A 22 4.491 0.648 -10.012 1.00 0.00 C ATOM 331 O ASP A 22 3.775 0.720 -9.016 1.00 0.00 O ATOM 332 CB ASP A 22 3.771 1.948 -12.143 1.00 0.00 C ATOM 333 CG ASP A 22 5.123 2.518 -12.577 1.00 0.00 C ATOM 334 OD1 ASP A 22 6.160 1.829 -12.406 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.132 3.676 -13.056 1.00 0.00 O1- ATOM 0 H ASP A 22 1.804 0.815 -11.107 1.00 0.00 H new ATOM 0 HA ASP A 22 4.495 -0.031 -12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.141 1.829 -13.025 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.277 2.672 -11.494 1.00 0.00 H new ATOM 340 N VAL A 23 5.812 0.547 -9.917 1.00 0.00 N ATOM 341 CA VAL A 23 6.500 0.319 -8.643 1.00 0.00 C ATOM 342 C VAL A 23 7.177 1.606 -8.299 1.00 0.00 C ATOM 343 O VAL A 23 8.209 1.993 -8.836 1.00 0.00 O ATOM 344 CB VAL A 23 7.472 -0.889 -8.681 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.264 -1.037 -7.369 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.690 -2.191 -8.942 1.00 0.00 C ATOM 0 H VAL A 23 6.439 0.620 -10.718 1.00 0.00 H new ATOM 0 HA VAL A 23 5.786 0.041 -7.867 1.00 0.00 H new ATOM 0 HB VAL A 23 8.180 -0.704 -9.489 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.931 -1.896 -7.442 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.851 -0.135 -7.194 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.571 -1.185 -6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.382 -3.033 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.961 -2.344 -8.146 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.172 -2.119 -9.899 1.00 0.00 H new ATOM 356 N LEU A 24 6.505 2.267 -7.386 1.00 0.00 N ATOM 357 CA LEU A 24 6.766 3.621 -7.018 1.00 0.00 C ATOM 358 C LEU A 24 7.008 3.676 -5.528 1.00 0.00 C ATOM 359 O LEU A 24 6.105 3.684 -4.693 1.00 0.00 O ATOM 360 CB LEU A 24 5.556 4.440 -7.392 1.00 0.00 C ATOM 361 CG LEU A 24 5.420 5.099 -8.763 1.00 0.00 C ATOM 362 CD1 LEU A 24 6.594 6.039 -9.004 1.00 0.00 C ATOM 363 CD2 LEU A 24 5.283 4.103 -9.899 1.00 0.00 C ATOM 0 H LEU A 24 5.733 1.852 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 24 7.644 4.014 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.687 3.794 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.473 5.235 -6.651 1.00 0.00 H new ATOM 0 HG LEU A 24 4.490 5.668 -8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.491 6.506 -9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.607 6.810 -8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.526 5.474 -8.967 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.191 4.639 -10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.165 3.463 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.395 3.491 -9.741 1.00 0.00 H new ATOM 375 N GLN A 25 8.287 3.770 -5.252 1.00 0.00 N ATOM 376 CA GLN A 25 8.801 3.929 -3.913 1.00 0.00 C ATOM 377 C GLN A 25 8.752 5.404 -3.552 1.00 0.00 C ATOM 378 O GLN A 25 9.703 6.157 -3.769 1.00 0.00 O ATOM 379 CB GLN A 25 10.217 3.357 -3.816 1.00 0.00 C ATOM 380 CG GLN A 25 10.260 1.859 -4.158 1.00 0.00 C ATOM 381 CD GLN A 25 9.490 0.998 -3.160 1.00 0.00 C ATOM 382 OE1 GLN A 25 8.519 0.218 -3.577 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 9.756 1.000 -1.971 1.00 0.00 N flip ATOM 0 H GLN A 25 9.014 3.737 -5.967 1.00 0.00 H new ATOM 0 HA GLN A 25 8.190 3.375 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.875 3.902 -4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.601 3.509 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.847 1.707 -5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.298 1.529 -4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.505 1.595 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.230 0.406 -1.330 1.00 0.00 H new ATOM 392 N THR A 26 7.602 5.799 -3.007 1.00 0.00 N ATOM 393 CA THR A 26 7.347 7.154 -2.531 1.00 0.00 C ATOM 394 C THR A 26 6.632 7.137 -1.174 1.00 0.00 C ATOM 395 O THR A 26 6.586 6.088 -0.524 1.00 0.00 O ATOM 396 CB THR A 26 6.799 8.059 -3.655 1.00 0.00 C ATOM 397 OG1 THR A 26 6.784 9.379 -3.174 1.00 0.00 O ATOM 398 CG2 THR A 26 5.422 7.698 -4.222 1.00 0.00 C ATOM 0 H THR A 26 6.807 5.172 -2.882 1.00 0.00 H new ATOM 0 HA THR A 26 8.279 7.664 -2.286 1.00 0.00 H new ATOM 0 HB THR A 26 7.470 7.917 -4.502 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.441 9.977 -3.870 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.152 8.409 -5.003 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.454 6.693 -4.642 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.679 7.735 -3.425 1.00 0.00 H new ATOM 406 N THR A 27 6.203 8.287 -0.656 1.00 0.00 N ATOM 407 CA THR A 27 5.413 8.391 0.575 1.00 0.00 C ATOM 408 C THR A 27 4.415 9.489 0.292 1.00 0.00 C ATOM 409 O THR A 27 4.786 10.517 -0.289 1.00 0.00 O ATOM 410 CB THR A 27 6.264 8.736 1.808 1.00 0.00 C ATOM 411 OG1 THR A 27 6.832 10.013 1.678 1.00 0.00 O ATOM 412 CG2 THR A 27 7.431 7.787 2.088 1.00 0.00 C ATOM 0 H THR A 27 6.397 9.191 -1.087 1.00 0.00 H new ATOM 0 HA THR A 27 4.945 7.437 0.819 1.00 0.00 H new ATOM 0 HB THR A 27 5.554 8.661 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.368 10.215 2.473 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.965 8.120 2.978 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.049 6.779 2.250 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.111 7.785 1.236 1.00 0.00 H new ATOM 420 N CYS A 28 3.161 9.262 0.698 1.00 0.00 N ATOM 421 CA CYS A 28 2.048 10.142 0.449 1.00 0.00 C ATOM 422 C CYS A 28 1.589 10.782 1.733 1.00 0.00 C ATOM 423 O CYS A 28 1.570 10.083 2.749 1.00 0.00 O ATOM 424 CB CYS A 28 0.906 9.402 -0.201 1.00 0.00 C ATOM 425 SG CYS A 28 -0.467 10.509 -0.632 1.00 0.00 S ATOM 0 H CYS A 28 2.900 8.429 1.225 1.00 0.00 H new ATOM 0 HA CYS A 28 2.381 10.922 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.264 8.902 -1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.547 8.625 0.474 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.032 10.094 -1.727 1.00 0.00 H new ATOM 431 N THR A 29 1.185 12.061 1.669 1.00 0.00 N ATOM 432 CA THR A 29 0.563 12.730 2.781 1.00 0.00 C ATOM 433 C THR A 29 -0.953 12.798 2.649 1.00 0.00 C ATOM 434 O THR A 29 -1.448 13.347 1.664 1.00 0.00 O ATOM 435 CB THR A 29 1.044 14.189 2.970 1.00 0.00 C ATOM 436 OG1 THR A 29 2.437 14.340 2.764 1.00 0.00 O ATOM 437 CG2 THR A 29 0.660 14.782 4.329 1.00 0.00 C ATOM 0 H THR A 29 1.288 12.644 0.838 1.00 0.00 H new ATOM 0 HA THR A 29 0.856 12.123 3.638 1.00 0.00 H new ATOM 0 HB THR A 29 0.517 14.749 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.687 15.279 2.894 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.027 15.806 4.396 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.425 14.778 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.104 14.185 5.125 1.00 0.00 H new ATOM 445 N VAL A 30 -1.626 12.295 3.697 1.00 0.00 N ATOM 446 CA VAL A 30 -3.108 12.285 3.863 1.00 0.00 C ATOM 447 C VAL A 30 -3.473 12.077 5.359 1.00 0.00 C ATOM 448 O VAL A 30 -2.676 11.507 6.096 1.00 0.00 O ATOM 449 CB VAL A 30 -3.836 11.232 2.952 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.355 11.177 3.248 1.00 0.00 C ATOM 451 CG2 VAL A 30 -3.729 11.478 1.444 1.00 0.00 C ATOM 0 H VAL A 30 -1.145 11.866 4.487 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.469 13.259 3.531 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.315 10.307 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.826 10.438 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.513 10.898 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.797 12.156 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.265 10.695 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.165 12.447 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.680 11.468 1.147 1.00 0.00 H new ATOM 461 N ASP A 31 -4.628 12.548 5.865 1.00 0.00 N ATOM 462 CA ASP A 31 -5.157 12.222 7.227 1.00 0.00 C ATOM 463 C ASP A 31 -4.288 12.856 8.342 1.00 0.00 C ATOM 464 O ASP A 31 -4.333 12.456 9.513 1.00 0.00 O ATOM 465 CB ASP A 31 -5.255 10.674 7.427 1.00 0.00 C ATOM 466 CG ASP A 31 -6.657 10.095 7.665 1.00 0.00 C ATOM 467 OD1 ASP A 31 -6.765 8.856 7.802 1.00 0.00 O ATOM 468 OD2 ASP A 31 -7.635 10.856 7.817 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.238 13.176 5.341 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.158 12.648 7.300 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.832 10.190 6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.626 10.400 8.274 1.00 0.00 H new ATOM 473 N ARG A 32 -3.497 13.875 7.969 1.00 0.00 N ATOM 474 CA ARG A 32 -2.501 14.571 8.801 1.00 0.00 C ATOM 475 C ARG A 32 -1.290 13.650 9.108 1.00 0.00 C ATOM 476 O ARG A 32 -0.556 13.874 10.070 1.00 0.00 O ATOM 477 CB ARG A 32 -3.144 15.173 10.083 1.00 0.00 C ATOM 478 CG ARG A 32 -4.363 16.082 9.803 1.00 0.00 C ATOM 479 CD ARG A 32 -5.269 16.298 11.016 1.00 0.00 C ATOM 480 NE ARG A 32 -4.573 16.970 12.133 1.00 0.00 N ATOM 481 CZ ARG A 32 -5.082 17.248 13.333 1.00 0.00 C ATOM 482 NH1 ARG A 32 -6.320 16.922 13.675 1.00 0.00 N ATOM 483 NH2 ARG A 32 -4.346 17.880 14.223 1.00 0.00 N ATOM 0 H ARG A 32 -3.538 14.257 7.024 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.115 15.417 8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.453 14.359 10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.390 15.748 10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.008 17.050 9.451 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.951 15.645 8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.132 16.895 10.719 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.649 15.335 11.357 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.606 17.249 11.969 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.923 16.439 13.009 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.670 17.154 14.605 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.391 18.155 13.993 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.731 18.095 15.143 1.00 0.00 H new ATOM 497 N LYS A 33 -1.097 12.627 8.269 1.00 0.00 N ATOM 498 CA LYS A 33 -0.083 11.575 8.380 1.00 0.00 C ATOM 499 C LYS A 33 0.576 11.335 7.009 1.00 0.00 C ATOM 500 O LYS A 33 0.010 11.613 5.951 1.00 0.00 O ATOM 501 CB LYS A 33 -0.770 10.301 8.925 1.00 0.00 C ATOM 502 CG LYS A 33 0.246 9.176 9.144 1.00 0.00 C ATOM 503 CD LYS A 33 -0.103 8.211 10.290 1.00 0.00 C ATOM 504 CE LYS A 33 -0.493 6.865 9.687 1.00 0.00 C ATOM 505 NZ LYS A 33 -1.027 5.895 10.663 1.00 0.00 N ATOM 0 H LYS A 33 -1.682 12.505 7.442 1.00 0.00 H new ATOM 0 HA LYS A 33 0.710 11.868 9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.273 10.529 9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.538 9.971 8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.339 8.604 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.221 9.619 9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.749 8.094 10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.923 8.611 10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.240 7.030 8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.381 6.431 9.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.966 4.935 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.471 5.944 11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.021 6.122 10.870 1.00 0.00 H new ATOM 519 N VAL A 34 1.800 10.819 7.010 1.00 0.00 N ATOM 520 CA VAL A 34 2.506 10.363 5.820 1.00 0.00 C ATOM 521 C VAL A 34 2.702 8.855 5.903 1.00 0.00 C ATOM 522 O VAL A 34 3.182 8.321 6.903 1.00 0.00 O ATOM 523 CB VAL A 34 3.825 11.114 5.639 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.853 10.431 4.716 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.591 12.519 5.095 1.00 0.00 C ATOM 0 H VAL A 34 2.344 10.703 7.865 1.00 0.00 H new ATOM 0 HA VAL A 34 1.910 10.582 4.934 1.00 0.00 H new ATOM 0 HB VAL A 34 4.245 11.130 6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.752 11.045 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.109 9.451 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.426 10.314 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.548 13.028 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.092 12.456 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.966 13.079 5.790 1.00 0.00 H new ATOM 535 N TYR A 35 2.287 8.223 4.807 1.00 0.00 N ATOM 536 CA TYR A 35 2.244 6.785 4.558 1.00 0.00 C ATOM 537 C TYR A 35 3.223 6.406 3.470 1.00 0.00 C ATOM 538 O TYR A 35 3.323 7.102 2.461 1.00 0.00 O ATOM 539 CB TYR A 35 0.882 6.412 4.002 1.00 0.00 C ATOM 540 CG TYR A 35 -0.241 6.799 4.908 1.00 0.00 C ATOM 541 CD1 TYR A 35 -0.923 8.018 4.713 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.566 5.902 5.940 1.00 0.00 C ATOM 543 CE1 TYR A 35 -2.010 8.290 5.574 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.678 6.155 6.769 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.394 7.359 6.590 1.00 0.00 C ATOM 546 OH TYR A 35 -3.439 7.608 7.424 1.00 0.00 O ATOM 0 H TYR A 35 1.943 8.749 4.003 1.00 0.00 H new ATOM 0 HA TYR A 35 2.471 6.283 5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.745 6.896 3.035 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.848 5.336 3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.628 8.712 3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.036 5.019 6.098 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.559 9.214 5.463 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.976 5.443 7.525 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.547 6.859 8.046 1.00 0.00 H new ATOM 556 N LYS A 36 3.884 5.261 3.591 1.00 0.00 N ATOM 557 CA LYS A 36 4.910 4.903 2.630 1.00 0.00 C ATOM 558 C LYS A 36 4.389 3.940 1.562 1.00 0.00 C ATOM 559 O LYS A 36 3.906 2.853 1.867 1.00 0.00 O ATOM 560 CB LYS A 36 6.137 4.411 3.377 1.00 0.00 C ATOM 561 CG LYS A 36 6.541 5.207 4.640 1.00 0.00 C ATOM 562 CD LYS A 36 7.891 4.726 5.208 1.00 0.00 C ATOM 563 CE LYS A 36 9.096 5.119 4.326 1.00 0.00 C ATOM 564 NZ LYS A 36 9.766 6.377 4.753 1.00 0.00 N ATOM 0 H LYS A 36 3.729 4.578 4.332 1.00 0.00 H new ATOM 0 HA LYS A 36 5.209 5.784 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.967 3.374 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.981 4.415 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.605 6.268 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.767 5.101 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.028 5.143 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.867 3.642 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.824 4.308 4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.760 5.229 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.564 6.578 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.086 7.163 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.117 6.270 5.726 1.00 0.00 H new ATOM 578 N THR A 37 4.466 4.400 0.312 1.00 0.00 N ATOM 579 CA THR A 37 3.831 3.814 -0.860 1.00 0.00 C ATOM 580 C THR A 37 4.833 2.975 -1.637 1.00 0.00 C ATOM 581 O THR A 37 5.990 3.351 -1.794 1.00 0.00 O ATOM 582 CB THR A 37 3.229 4.875 -1.784 1.00 0.00 C ATOM 583 OG1 THR A 37 4.285 5.668 -2.220 1.00 0.00 O ATOM 584 CG2 THR A 37 2.229 5.810 -1.104 1.00 0.00 C ATOM 0 H THR A 37 5.003 5.236 0.083 1.00 0.00 H new ATOM 0 HA THR A 37 3.018 3.184 -0.501 1.00 0.00 H new ATOM 0 HB THR A 37 2.693 4.350 -2.574 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.553 5.390 -3.121 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.852 6.530 -1.830 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.398 5.227 -0.706 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.723 6.341 -0.290 1.00 0.00 H new ATOM 592 N ILE A 38 4.358 1.861 -2.158 1.00 0.00 N ATOM 593 CA ILE A 38 5.167 0.818 -2.781 1.00 0.00 C ATOM 594 C ILE A 38 5.058 0.840 -4.292 1.00 0.00 C ATOM 595 O ILE A 38 6.003 0.557 -5.028 1.00 0.00 O ATOM 596 CB ILE A 38 4.653 -0.571 -2.339 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.096 -0.598 -0.887 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.923 -1.463 -2.366 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.482 -1.952 -0.519 1.00 0.00 C ATOM 0 H ILE A 38 3.361 1.644 -2.162 1.00 0.00 H new ATOM 0 HA ILE A 38 6.197 1.000 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 38 3.836 -0.887 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.900 -0.366 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.342 0.181 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.662 -2.478 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.335 -1.478 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.665 -1.060 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.109 -1.916 0.504 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.659 -2.175 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.241 -2.730 -0.601 1.00 0.00 H new ATOM 611 N CYS A 39 3.831 1.107 -4.712 1.00 0.00 N ATOM 612 CA CYS A 39 3.350 0.958 -6.063 1.00 0.00 C ATOM 613 C CYS A 39 2.221 1.926 -6.293 1.00 0.00 C ATOM 614 O CYS A 39 1.450 2.225 -5.377 1.00 0.00 O ATOM 615 CB CYS A 39 2.902 -0.494 -6.291 1.00 0.00 C ATOM 616 SG CYS A 39 1.912 -1.277 -4.990 1.00 0.00 S ATOM 0 H CYS A 39 3.110 1.452 -4.079 1.00 0.00 H new ATOM 0 HA CYS A 39 4.144 1.180 -6.776 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.328 -0.528 -7.217 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.794 -1.101 -6.447 1.00 0.00 H new ATOM 0 HG CYS A 39 1.271 -2.294 -5.485 1.00 0.00 H new ATOM 622 N LYS A 40 2.064 2.345 -7.545 1.00 0.00 N ATOM 623 CA LYS A 40 0.868 3.014 -7.977 1.00 0.00 C ATOM 624 C LYS A 40 0.187 2.411 -9.197 1.00 0.00 C ATOM 625 O LYS A 40 0.817 1.876 -10.094 1.00 0.00 O ATOM 626 CB LYS A 40 1.137 4.504 -8.107 1.00 0.00 C ATOM 627 CG LYS A 40 1.705 5.030 -9.420 1.00 0.00 C ATOM 628 CD LYS A 40 0.503 5.398 -10.258 1.00 0.00 C ATOM 629 CE LYS A 40 0.667 6.739 -10.925 1.00 0.00 C ATOM 630 NZ LYS A 40 1.629 6.710 -12.063 1.00 0.00 N ATOM 0 H LYS A 40 2.765 2.225 -8.276 1.00 0.00 H new ATOM 0 HA LYS A 40 0.122 2.856 -7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.200 5.027 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.826 4.787 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.347 5.895 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.313 4.274 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.343 4.633 -11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.387 5.413 -9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.303 7.080 -11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.007 7.466 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.700 7.659 -12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.564 6.412 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.295 6.038 -12.783 1.00 0.00 H new ATOM 644 N ARG A 41 -1.122 2.564 -9.253 1.00 0.00 N ATOM 645 CA ARG A 41 -1.902 2.308 -10.438 1.00 0.00 C ATOM 646 C ARG A 41 -2.932 3.412 -10.594 1.00 0.00 C ATOM 647 O ARG A 41 -3.804 3.650 -9.774 1.00 0.00 O ATOM 648 CB ARG A 41 -2.606 0.957 -10.348 1.00 0.00 C ATOM 649 CG ARG A 41 -3.187 0.625 -11.726 1.00 0.00 C ATOM 650 CD ARG A 41 -4.262 -0.452 -11.558 1.00 0.00 C ATOM 651 NE ARG A 41 -4.635 -1.052 -12.838 1.00 0.00 N ATOM 652 CZ ARG A 41 -5.716 -1.737 -13.170 1.00 0.00 C ATOM 653 NH1 ARG A 41 -6.757 -1.930 -12.360 1.00 0.00 N ATOM 654 NH2 ARG A 41 -5.718 -2.328 -14.344 1.00 0.00 N ATOM 0 H ARG A 41 -1.679 2.876 -8.458 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.237 2.286 -11.302 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.905 0.183 -10.035 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.398 0.991 -9.600 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.615 1.518 -12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.400 0.273 -12.393 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.897 -1.228 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.144 -0.015 -11.091 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.958 -0.922 -13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.750 -1.538 -11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.560 -2.470 -12.682 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.907 -2.247 -14.957 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.531 -2.867 -14.642 1.00 0.00 H new ATOM 668 N GLY A 42 -2.800 4.153 -11.657 1.00 0.00 N ATOM 669 CA GLY A 42 -3.650 5.322 -11.854 1.00 0.00 C ATOM 670 C GLY A 42 -3.424 6.385 -10.784 1.00 0.00 C ATOM 671 O GLY A 42 -2.287 6.661 -10.427 1.00 0.00 O ATOM 0 H GLY A 42 -2.123 3.982 -12.401 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.454 5.751 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.696 5.015 -11.843 1.00 0.00 H new ATOM 675 N ASN A 43 -4.510 6.914 -10.229 1.00 0.00 N ATOM 676 CA ASN A 43 -4.497 7.835 -9.106 1.00 0.00 C ATOM 677 C ASN A 43 -4.375 7.166 -7.709 1.00 0.00 C ATOM 678 O ASN A 43 -4.582 7.875 -6.725 1.00 0.00 O ATOM 679 CB ASN A 43 -5.628 8.865 -9.208 1.00 0.00 C ATOM 680 CG ASN A 43 -6.930 8.425 -8.593 1.00 0.00 C ATOM 681 OD1 ASN A 43 -7.497 9.067 -7.722 1.00 0.00 O ATOM 682 ND2 ASN A 43 -7.446 7.304 -9.047 1.00 0.00 N ATOM 0 H ASN A 43 -5.451 6.705 -10.562 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.560 8.386 -9.189 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.306 9.788 -8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.797 9.097 -10.259 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.330 6.961 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.962 6.778 -9.775 1.00 0.00 H new ATOM 689 N THR A 44 -4.096 5.842 -7.683 1.00 0.00 N ATOM 690 CA THR A 44 -4.015 5.029 -6.463 1.00 0.00 C ATOM 691 C THR A 44 -2.648 4.462 -6.227 1.00 0.00 C ATOM 692 O THR A 44 -1.949 4.297 -7.198 1.00 0.00 O ATOM 693 CB THR A 44 -5.091 3.990 -6.295 1.00 0.00 C ATOM 694 OG1 THR A 44 -4.889 3.364 -5.052 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.226 2.936 -7.377 1.00 0.00 C ATOM 0 H THR A 44 -3.918 5.305 -8.532 1.00 0.00 H new ATOM 0 HA THR A 44 -4.215 5.753 -5.673 1.00 0.00 H new ATOM 0 HB THR A 44 -6.030 4.539 -6.367 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.616 3.607 -4.441 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.040 2.256 -7.123 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.440 3.419 -8.330 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.295 2.374 -7.456 1.00 0.00 H new ATOM 703 N TYR A 45 -2.220 4.427 -4.948 1.00 0.00 N ATOM 704 CA TYR A 45 -0.848 4.507 -4.402 1.00 0.00 C ATOM 705 C TYR A 45 -1.025 3.659 -3.242 1.00 0.00 C ATOM 706 O TYR A 45 -1.675 4.170 -2.321 1.00 0.00 O ATOM 707 CB TYR A 45 -0.122 5.809 -3.864 1.00 0.00 C ATOM 708 CG TYR A 45 0.331 6.583 -5.110 1.00 0.00 C ATOM 709 CD1 TYR A 45 -0.524 7.181 -6.119 1.00 0.00 C ATOM 710 CD2 TYR A 45 1.719 6.785 -5.271 1.00 0.00 C ATOM 711 CE1 TYR A 45 -0.028 7.953 -7.211 1.00 0.00 C ATOM 712 CE2 TYR A 45 2.184 7.643 -6.339 1.00 0.00 C ATOM 713 CZ TYR A 45 1.330 8.219 -7.293 1.00 0.00 C ATOM 714 OH TYR A 45 1.812 8.941 -8.310 1.00 0.00 O ATOM 0 H TYR A 45 -2.898 4.332 -4.192 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.196 4.307 -5.252 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.798 6.410 -3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.729 5.550 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.591 7.034 -6.039 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.423 6.306 -4.607 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.704 8.327 -7.966 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.242 7.851 -6.406 1.00 0.00 H new ATOM 0 HH TYR A 45 2.783 9.034 -8.214 1.00 0.00 H new ATOM 724 N LEU A 46 -0.527 2.416 -3.308 1.00 0.00 N ATOM 725 CA LEU A 46 -0.707 1.466 -2.207 1.00 0.00 C ATOM 726 C LEU A 46 0.441 1.666 -1.234 1.00 0.00 C ATOM 727 O LEU A 46 1.602 1.734 -1.666 1.00 0.00 O ATOM 728 CB LEU A 46 -0.626 0.084 -2.824 1.00 0.00 C ATOM 729 CG LEU A 46 -1.630 -1.032 -2.445 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.031 -1.390 -1.017 1.00 0.00 C ATOM 731 CD2 LEU A 46 -2.956 -0.679 -3.092 1.00 0.00 C ATOM 0 H LEU A 46 -0.003 2.050 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.653 1.600 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.691 0.215 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.371 -0.301 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.044 -1.895 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.750 -2.209 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.147 -1.695 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.483 -0.522 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.694 -1.443 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.297 0.287 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.831 -0.627 -4.174 1.00 0.00 H new ATOM 743 N CYS A 47 0.137 1.752 0.045 1.00 0.00 N ATOM 744 CA CYS A 47 1.063 2.107 1.122 1.00 0.00 C ATOM 745 C CYS A 47 0.901 1.196 2.323 1.00 0.00 C ATOM 746 O CYS A 47 -0.013 0.373 2.379 1.00 0.00 O ATOM 747 CB CYS A 47 0.902 3.581 1.570 1.00 0.00 C ATOM 748 SG CYS A 47 -0.775 4.190 1.297 1.00 0.00 S ATOM 0 H CYS A 47 -0.806 1.569 0.387 1.00 0.00 H new ATOM 0 HA CYS A 47 2.064 1.978 0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.152 3.668 2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.608 4.206 1.023 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.549 3.198 0.969 1.00 0.00 H new ATOM 754 N PHE A 48 1.786 1.408 3.290 1.00 0.00 N ATOM 755 CA PHE A 48 1.806 0.740 4.567 1.00 0.00 C ATOM 756 C PHE A 48 2.000 1.692 5.735 1.00 0.00 C ATOM 757 O PHE A 48 2.582 2.763 5.567 1.00 0.00 O ATOM 758 CB PHE A 48 2.874 -0.345 4.524 1.00 0.00 C ATOM 759 CG PHE A 48 4.305 0.109 4.502 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.990 0.299 5.708 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.966 0.263 3.275 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.358 0.598 5.697 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.341 0.548 3.252 1.00 0.00 C ATOM 764 CZ PHE A 48 7.044 0.690 4.468 1.00 0.00 C ATOM 0 H PHE A 48 2.542 2.085 3.191 1.00 0.00 H new ATOM 0 HA PHE A 48 0.830 0.288 4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.737 -0.991 5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.699 -0.958 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.463 0.215 6.647 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.419 0.163 2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.886 0.758 6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.857 0.658 2.310 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.109 0.869 4.457 1.00 0.00 H new ATOM 774 N ASP A 49 1.570 1.240 6.916 1.00 0.00 N ATOM 775 CA ASP A 49 2.198 1.658 8.184 1.00 0.00 C ATOM 776 C ASP A 49 2.642 0.420 8.972 1.00 0.00 C ATOM 777 O ASP A 49 2.952 -0.618 8.395 1.00 0.00 O ATOM 778 CB ASP A 49 1.288 2.502 9.080 1.00 0.00 C ATOM 779 CG ASP A 49 0.784 3.825 8.512 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.404 4.131 8.742 1.00 0.00 O ATOM 781 OD2 ASP A 49 1.621 4.640 8.069 1.00 0.00 O1- ATOM 0 H ASP A 49 0.794 0.588 7.026 1.00 0.00 H new ATOM 0 HA ASP A 49 3.046 2.284 7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.422 1.897 9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.826 2.714 10.004 1.00 0.00 H new ATOM 786 N ASP A 50 2.660 0.530 10.301 1.00 0.00 N ATOM 787 CA ASP A 50 3.103 -0.570 11.161 1.00 0.00 C ATOM 788 C ASP A 50 2.241 -1.829 11.101 1.00 0.00 C ATOM 789 O ASP A 50 2.640 -2.948 11.442 1.00 0.00 O ATOM 790 CB ASP A 50 3.124 -0.120 12.629 1.00 0.00 C ATOM 791 CG ASP A 50 4.458 -0.342 13.331 1.00 0.00 C ATOM 792 OD1 ASP A 50 4.571 0.049 14.513 1.00 0.00 O ATOM 793 OD2 ASP A 50 5.358 -0.971 12.736 1.00 0.00 O1- ATOM 0 H ASP A 50 2.373 1.369 10.806 1.00 0.00 H new ATOM 0 HA ASP A 50 4.092 -0.824 10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.873 0.940 12.676 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.346 -0.656 13.173 1.00 0.00 H new ATOM 798 N THR A 51 0.971 -1.556 10.833 1.00 0.00 N ATOM 799 CA THR A 51 -0.174 -2.251 11.400 1.00 0.00 C ATOM 800 C THR A 51 -0.888 -3.061 10.331 1.00 0.00 C ATOM 801 O THR A 51 -1.681 -3.942 10.675 1.00 0.00 O ATOM 802 CB THR A 51 -1.154 -1.197 11.950 1.00 0.00 C ATOM 803 OG1 THR A 51 -1.396 -0.213 10.968 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.632 -0.438 13.158 1.00 0.00 C ATOM 0 H THR A 51 0.701 -0.814 10.188 1.00 0.00 H new ATOM 0 HA THR A 51 0.167 -2.923 12.187 1.00 0.00 H new ATOM 0 HB THR A 51 -2.043 -1.761 12.233 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.021 0.454 11.321 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.380 0.285 13.485 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.427 -1.139 13.967 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.286 0.086 12.890 1.00 0.00 H new ATOM 812 N ASN A 52 -0.722 -2.619 9.083 1.00 0.00 N ATOM 813 CA ASN A 52 -1.614 -2.719 7.968 1.00 0.00 C ATOM 814 C ASN A 52 -1.176 -1.735 6.887 1.00 0.00 C ATOM 815 O ASN A 52 -0.140 -1.076 6.971 1.00 0.00 O ATOM 816 CB ASN A 52 -3.101 -2.606 8.320 1.00 0.00 C ATOM 817 CG ASN A 52 -3.529 -1.336 9.036 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.820 -1.352 10.223 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.543 -0.193 8.378 1.00 0.00 N ATOM 0 H ASN A 52 0.136 -2.134 8.821 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.536 -3.735 7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.678 -2.690 7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.370 -3.458 8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.795 0.670 8.860 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.301 -0.172 7.387 1.00 0.00 H new ATOM 826 N LEU A 53 -2.004 -1.672 5.854 1.00 0.00 N ATOM 827 CA LEU A 53 -1.781 -1.056 4.574 1.00 0.00 C ATOM 828 C LEU A 53 -2.893 -0.051 4.279 1.00 0.00 C ATOM 829 O LEU A 53 -3.934 -0.067 4.949 1.00 0.00 O ATOM 830 CB LEU A 53 -1.755 -2.223 3.585 1.00 0.00 C ATOM 831 CG LEU A 53 -0.593 -3.182 3.899 1.00 0.00 C ATOM 832 CD1 LEU A 53 -0.515 -4.210 2.822 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.781 -2.548 3.947 1.00 0.00 C ATOM 0 H LEU A 53 -2.932 -2.093 5.906 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.854 -0.485 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.700 -2.764 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.653 -1.842 2.569 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.820 -3.573 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.305 -4.896 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.452 -4.766 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.341 -3.721 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.526 -3.310 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.008 -2.097 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.800 -1.779 4.720 1.00 0.00 H new ATOM 845 N TYR A 54 -2.689 0.782 3.259 1.00 0.00 N ATOM 846 CA TYR A 54 -3.660 1.793 2.844 1.00 0.00 C ATOM 847 C TYR A 54 -3.590 1.918 1.314 1.00 0.00 C ATOM 848 O TYR A 54 -2.533 1.685 0.734 1.00 0.00 O ATOM 849 CB TYR A 54 -3.488 3.136 3.605 1.00 0.00 C ATOM 850 CG TYR A 54 -3.316 3.062 5.128 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.322 3.590 5.956 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.195 2.457 5.746 1.00 0.00 C ATOM 853 CE1 TYR A 54 -4.239 3.504 7.356 1.00 0.00 C ATOM 854 CE2 TYR A 54 -2.169 2.242 7.139 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.179 2.798 7.959 1.00 0.00 C ATOM 856 OH TYR A 54 -3.174 2.609 9.312 1.00 0.00 O ATOM 0 H TYR A 54 -1.840 0.774 2.694 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.668 1.480 3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.620 3.650 3.192 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.358 3.758 3.393 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.177 4.072 5.506 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.350 2.157 5.144 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.989 3.980 7.971 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.378 1.653 7.580 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.375 2.103 9.569 1.00 0.00 H new ATOM 866 N ALA A 55 -4.683 2.236 0.625 1.00 0.00 N ATOM 867 CA ALA A 55 -4.637 2.659 -0.772 1.00 0.00 C ATOM 868 C ALA A 55 -5.048 4.122 -0.840 1.00 0.00 C ATOM 869 O ALA A 55 -6.223 4.430 -0.734 1.00 0.00 O ATOM 870 CB ALA A 55 -5.541 1.739 -1.604 1.00 0.00 C ATOM 0 H ALA A 55 -5.624 2.208 1.018 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.633 2.577 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.512 2.048 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.189 0.711 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.564 1.804 -1.235 1.00 0.00 H new ATOM 876 N ILE A 56 -4.091 5.023 -1.041 1.00 0.00 N ATOM 877 CA ILE A 56 -4.409 6.452 -1.181 1.00 0.00 C ATOM 878 C ILE A 56 -4.754 6.678 -2.649 1.00 0.00 C ATOM 879 O ILE A 56 -3.888 6.693 -3.525 1.00 0.00 O ATOM 880 CB ILE A 56 -3.300 7.382 -0.677 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.155 7.292 0.858 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.604 8.825 -1.119 1.00 0.00 C ATOM 883 CD1 ILE A 56 -1.729 7.327 1.400 1.00 0.00 C ATOM 0 H ILE A 56 -3.098 4.799 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.254 6.709 -0.543 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.350 7.069 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.712 8.116 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.627 6.369 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.817 9.489 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.651 8.870 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.561 9.139 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.751 7.257 2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.165 6.487 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.251 8.261 1.106 1.00 0.00 H new ATOM 895 N THR A 57 -6.054 6.785 -2.907 1.00 0.00 N ATOM 896 CA THR A 57 -6.643 7.061 -4.208 1.00 0.00 C ATOM 897 C THR A 57 -7.003 8.549 -4.226 1.00 0.00 C ATOM 898 O THR A 57 -7.974 8.974 -3.598 1.00 0.00 O ATOM 899 CB THR A 57 -7.856 6.161 -4.440 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.529 4.803 -4.258 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.346 6.282 -5.874 1.00 0.00 C ATOM 0 H THR A 57 -6.758 6.676 -2.177 1.00 0.00 H new ATOM 0 HA THR A 57 -5.949 6.846 -5.021 1.00 0.00 H new ATOM 0 HB THR A 57 -8.615 6.480 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.324 4.252 -4.411 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.210 5.634 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.629 7.315 -6.076 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.550 5.984 -6.557 1.00 0.00 H new ATOM 909 N GLY A 58 -6.193 9.369 -4.888 1.00 0.00 N ATOM 910 CA GLY A 58 -6.316 10.826 -4.837 1.00 0.00 C ATOM 911 C GLY A 58 -5.945 11.350 -3.449 1.00 0.00 C ATOM 912 O GLY A 58 -4.777 11.576 -3.146 1.00 0.00 O ATOM 0 H GLY A 58 -5.428 9.042 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.667 11.277 -5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.337 11.119 -5.081 1.00 0.00 H new ATOM 916 N ASP A 59 -6.966 11.529 -2.618 1.00 0.00 N ATOM 917 CA ASP A 59 -6.885 11.941 -1.212 1.00 0.00 C ATOM 918 C ASP A 59 -7.605 10.914 -0.318 1.00 0.00 C ATOM 919 O ASP A 59 -7.786 11.103 0.872 1.00 0.00 O ATOM 920 CB ASP A 59 -7.520 13.340 -1.065 1.00 0.00 C ATOM 921 CG ASP A 59 -6.582 14.507 -1.368 1.00 0.00 C ATOM 922 OD1 ASP A 59 -6.674 15.044 -2.489 1.00 0.00 O ATOM 923 OD2 ASP A 59 -5.867 14.981 -0.460 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.929 11.383 -2.920 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.843 11.987 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.382 13.404 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.894 13.448 -0.047 1.00 0.00 H new ATOM 928 N VAL A 60 -8.078 9.813 -0.907 1.00 0.00 N ATOM 929 CA VAL A 60 -8.862 8.753 -0.244 1.00 0.00 C ATOM 930 C VAL A 60 -7.907 7.714 0.280 1.00 0.00 C ATOM 931 O VAL A 60 -7.527 6.815 -0.444 1.00 0.00 O ATOM 932 CB VAL A 60 -9.920 8.095 -1.166 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.653 6.940 -0.472 1.00 0.00 C ATOM 934 CG2 VAL A 60 -10.928 9.143 -1.652 1.00 0.00 C ATOM 0 H VAL A 60 -7.923 9.622 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.425 9.215 0.567 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.389 7.679 -2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.384 6.510 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.933 6.174 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.163 7.314 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.665 8.667 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.432 9.589 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.405 9.920 -2.209 1.00 0.00 H new ATOM 944 N VAL A 61 -7.522 7.857 1.547 1.00 0.00 N ATOM 945 CA VAL A 61 -6.694 6.894 2.273 1.00 0.00 C ATOM 946 C VAL A 61 -7.540 5.683 2.666 1.00 0.00 C ATOM 947 O VAL A 61 -8.104 5.607 3.747 1.00 0.00 O ATOM 948 CB VAL A 61 -6.012 7.601 3.455 1.00 0.00 C ATOM 949 CG1 VAL A 61 -6.977 8.219 4.481 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.020 6.684 4.167 1.00 0.00 C ATOM 0 H VAL A 61 -7.783 8.665 2.111 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.892 6.507 1.644 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.479 8.433 2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.405 8.695 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.603 8.963 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.607 7.437 4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.559 7.221 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.544 5.808 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.248 6.368 3.465 1.00 0.00 H new ATOM 960 N LEU A 62 -7.644 4.706 1.765 1.00 0.00 N ATOM 961 CA LEU A 62 -8.449 3.516 2.010 1.00 0.00 C ATOM 962 C LEU A 62 -7.607 2.528 2.826 1.00 0.00 C ATOM 963 O LEU A 62 -6.871 1.705 2.291 1.00 0.00 O ATOM 964 CB LEU A 62 -8.971 3.014 0.653 1.00 0.00 C ATOM 965 CG LEU A 62 -9.961 1.830 0.626 1.00 0.00 C ATOM 966 CD1 LEU A 62 -9.706 0.656 1.581 1.00 0.00 C ATOM 967 CD2 LEU A 62 -11.402 2.322 0.842 1.00 0.00 C ATOM 0 H LEU A 62 -7.178 4.718 0.858 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.338 3.696 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.450 3.856 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.107 2.735 0.050 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.796 1.419 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.483 -0.097 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.733 0.216 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.722 1.014 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.084 1.472 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.475 2.820 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.670 3.023 0.051 1.00 0.00 H new ATOM 979 N LYS A 63 -7.704 2.628 4.153 1.00 0.00 N ATOM 980 CA LYS A 63 -7.114 1.666 5.090 1.00 0.00 C ATOM 981 C LYS A 63 -7.629 0.232 4.887 1.00 0.00 C ATOM 982 O LYS A 63 -8.824 -0.042 4.773 1.00 0.00 O ATOM 983 CB LYS A 63 -7.235 2.117 6.559 1.00 0.00 C ATOM 984 CG LYS A 63 -8.621 2.042 7.237 1.00 0.00 C ATOM 985 CD LYS A 63 -8.619 1.339 8.611 1.00 0.00 C ATOM 986 CE LYS A 63 -7.531 1.886 9.549 1.00 0.00 C ATOM 987 NZ LYS A 63 -7.768 1.567 10.982 1.00 0.00 N ATOM 0 H LYS A 63 -8.201 3.389 4.615 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.050 1.646 4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.543 1.516 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.891 3.150 6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.007 3.054 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.309 1.517 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.595 1.463 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.467 0.269 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.566 1.479 9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.471 2.968 9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.999 1.964 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.674 1.978 11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.797 0.535 11.108 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.697 -0.707 4.949 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.947 -2.130 5.085 1.00 0.00 C ATOM 1003 C PHE A 64 -6.780 -2.503 6.571 1.00 0.00 C ATOM 1004 O PHE A 64 -5.891 -1.978 7.226 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.924 -2.846 4.208 1.00 0.00 C ATOM 1006 CG PHE A 64 -6.068 -2.499 2.738 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -5.058 -1.778 2.079 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.260 -2.793 2.052 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.212 -1.389 0.742 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.414 -2.397 0.716 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.382 -1.716 0.046 1.00 0.00 C ATOM 0 H PHE A 64 -5.702 -0.486 4.904 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.952 -2.415 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.920 -2.586 4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.033 -3.923 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.153 -1.521 2.609 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.056 -3.323 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.427 -0.836 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.335 -2.617 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.491 -1.448 -0.995 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.557 -3.436 7.118 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.305 -3.996 8.460 1.00 0.00 C ATOM 1023 C ALA A 65 -6.135 -4.991 8.542 1.00 0.00 C ATOM 1024 O ALA A 65 -5.711 -5.363 9.642 1.00 0.00 O ATOM 1025 CB ALA A 65 -8.597 -4.679 8.909 1.00 0.00 C ATOM 0 H ALA A 65 -8.376 -3.828 6.653 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.010 -3.171 9.109 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.456 -5.109 9.901 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.403 -3.946 8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.855 -5.470 8.204 1.00 0.00 H new ATOM 1031 N THR A 66 -5.631 -5.484 7.400 1.00 0.00 N ATOM 1032 CA THR A 66 -4.731 -6.627 7.289 1.00 0.00 C ATOM 1033 C THR A 66 -3.826 -6.290 6.164 1.00 0.00 C ATOM 1034 O THR A 66 -4.144 -5.496 5.280 1.00 0.00 O ATOM 1035 CB THR A 66 -5.410 -7.939 6.866 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.809 -7.861 6.989 1.00 0.00 O ATOM 1037 CG2 THR A 66 -5.021 -9.140 7.707 1.00 0.00 C ATOM 0 H THR A 66 -5.854 -5.074 6.493 1.00 0.00 H new ATOM 0 HA THR A 66 -4.274 -6.787 8.266 1.00 0.00 H new ATOM 0 HB THR A 66 -5.077 -8.071 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.210 -8.711 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.544 -10.024 7.343 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.945 -9.300 7.637 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.294 -8.960 8.747 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.768 -7.057 6.137 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.907 -6.984 5.012 1.00 0.00 C ATOM 1047 C VAL A 67 -2.552 -7.680 3.793 1.00 0.00 C ATOM 1048 O VAL A 67 -2.539 -7.138 2.693 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.562 -7.620 5.342 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.344 -6.714 4.583 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.074 -7.649 6.719 1.00 0.00 C ATOM 0 H VAL A 67 -2.496 -7.718 6.864 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.745 -5.936 4.761 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.715 -8.682 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.376 -7.038 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.087 -6.746 3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.233 -5.695 4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.032 -8.166 6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.231 -6.629 7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.584 -8.173 7.413 1.00 0.00 H new ATOM 1061 N SER A 68 -3.192 -8.849 3.963 1.00 0.00 N ATOM 1062 CA SER A 68 -3.715 -9.627 2.834 1.00 0.00 C ATOM 1063 C SER A 68 -4.884 -8.941 2.120 1.00 0.00 C ATOM 1064 O SER A 68 -5.084 -9.176 0.931 1.00 0.00 O ATOM 1065 CB SER A 68 -4.073 -11.059 3.254 1.00 0.00 C ATOM 1066 OG SER A 68 -2.947 -11.672 3.848 1.00 0.00 O ATOM 0 H SER A 68 -3.358 -9.274 4.875 1.00 0.00 H new ATOM 0 HA SER A 68 -2.907 -9.684 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.906 -11.046 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.397 -11.633 2.386 1.00 0.00 H new ATOM 0 HG SER A 68 -3.176 -12.586 4.118 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.582 -7.993 2.757 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.576 -7.189 2.054 1.00 0.00 C ATOM 1074 C LYS A 69 -5.996 -6.416 0.877 1.00 0.00 C ATOM 1075 O LYS A 69 -6.571 -6.391 -0.205 1.00 0.00 O ATOM 1076 CB LYS A 69 -7.185 -6.168 2.985 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.444 -6.614 4.416 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.715 -5.991 4.964 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.757 -7.102 4.939 1.00 0.00 C ATOM 1080 NZ LYS A 69 -11.149 -6.636 5.172 1.00 0.00 N ATOM 0 H LYS A 69 -5.476 -7.769 3.746 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.317 -7.900 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.527 -5.299 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.131 -5.838 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.524 -7.700 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.599 -6.335 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.564 -5.618 5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.030 -5.143 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.711 -7.606 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.501 -7.842 5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.797 -7.449 5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.211 -6.180 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.414 -5.952 4.435 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.843 -5.786 1.097 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.130 -5.088 0.029 1.00 0.00 C ATOM 1096 C ALA A 70 -3.697 -6.031 -1.107 1.00 0.00 C ATOM 1097 O ALA A 70 -3.540 -5.611 -2.252 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.912 -4.440 0.672 1.00 0.00 C ATOM 0 H ALA A 70 -4.383 -5.745 2.006 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.788 -4.351 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.342 -3.903 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.236 -3.742 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.284 -5.210 1.120 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.503 -7.318 -0.800 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.987 -8.325 -1.718 1.00 0.00 C ATOM 1106 C ARG A 71 -4.003 -8.715 -2.770 1.00 0.00 C ATOM 1107 O ARG A 71 -3.634 -8.956 -3.916 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.600 -9.520 -0.837 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.592 -10.504 -1.393 1.00 0.00 C ATOM 1110 CD ARG A 71 -0.369 -9.720 -1.841 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.388 -9.577 -3.302 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.588 -9.024 -4.011 1.00 0.00 C ATOM 1113 NH1 ARG A 71 1.513 -8.298 -3.432 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.698 -9.206 -5.311 1.00 0.00 N ATOM 0 H ARG A 71 -3.709 -7.694 0.125 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.134 -7.944 -2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.207 -9.131 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.510 -10.070 -0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.318 -11.238 -0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.019 -11.055 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.360 -8.738 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.540 -10.233 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.204 -9.925 -3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.489 -8.152 -2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.257 -7.880 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.020 -9.787 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.461 -8.766 -5.825 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.258 -8.657 -2.362 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.405 -8.746 -3.231 1.00 0.00 C ATOM 1130 C ALA A 72 -6.705 -7.387 -3.874 1.00 0.00 C ATOM 1131 O ALA A 72 -7.144 -7.353 -5.022 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.511 -9.280 -2.338 1.00 0.00 C ATOM 0 H ALA A 72 -5.509 -8.542 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.263 -9.407 -4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.429 -9.381 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.222 -10.254 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.677 -8.589 -1.512 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.376 -6.260 -3.207 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.560 -4.899 -3.728 1.00 0.00 C ATOM 1140 C TYR A 73 -5.821 -4.728 -5.047 1.00 0.00 C ATOM 1141 O TYR A 73 -6.366 -4.269 -6.041 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.208 -3.772 -2.755 1.00 0.00 C ATOM 1143 CG TYR A 73 -6.813 -2.481 -3.286 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -8.142 -2.136 -2.964 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -6.107 -1.724 -4.233 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -8.759 -1.033 -3.583 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -6.729 -0.652 -4.880 1.00 0.00 C ATOM 1148 CZ TYR A 73 -8.055 -0.289 -4.554 1.00 0.00 C ATOM 1149 OH TYR A 73 -8.633 0.767 -5.185 1.00 0.00 O ATOM 0 H TYR A 73 -5.967 -6.277 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.634 -4.800 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.596 -3.993 -1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.126 -3.675 -2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.689 -2.721 -2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.081 -1.970 -4.463 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.768 -0.757 -3.316 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.192 -0.097 -5.635 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.996 1.157 -5.820 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.568 -5.166 -5.076 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.739 -5.028 -6.246 1.00 0.00 C ATOM 1161 C LEU A 74 -4.288 -5.708 -7.510 1.00 0.00 C ATOM 1162 O LEU A 74 -4.028 -5.211 -8.608 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.354 -5.583 -5.881 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.253 -4.526 -5.764 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.647 -3.352 -4.878 1.00 0.00 C ATOM 1166 CD2 LEU A 74 0.014 -5.151 -5.182 1.00 0.00 C ATOM 0 H LEU A 74 -4.109 -5.623 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.703 -3.972 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.429 -6.116 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.060 -6.313 -6.635 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.083 -4.152 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.825 -2.637 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.530 -2.865 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.868 -3.712 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.791 -4.391 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.201 -5.555 -4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.357 -5.954 -5.835 1.00 0.00 H new ATOM 1178 N GLU A 75 -4.997 -6.839 -7.362 1.00 0.00 N ATOM 1179 CA GLU A 75 -5.594 -7.574 -8.484 1.00 0.00 C ATOM 1180 C GLU A 75 -7.102 -7.344 -8.631 1.00 0.00 C ATOM 1181 O GLU A 75 -7.749 -8.022 -9.433 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.301 -9.069 -8.441 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.353 -9.754 -7.093 1.00 0.00 C ATOM 1184 CD GLU A 75 -4.990 -11.197 -7.335 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -3.852 -11.453 -7.747 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -5.955 -12.019 -7.265 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.172 -7.270 -6.454 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.107 -7.156 -9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.010 -9.570 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.308 -9.229 -8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.657 -9.290 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.347 -9.672 -6.654 1.00 0.00 H new ATOM 1193 N THR A 76 -7.680 -6.451 -7.819 1.00 0.00 N ATOM 1194 CA THR A 76 -9.113 -6.114 -7.803 1.00 0.00 C ATOM 1195 C THR A 76 -9.306 -4.607 -7.914 1.00 0.00 C ATOM 1196 O THR A 76 -9.231 -3.916 -6.900 1.00 0.00 O ATOM 1197 CB THR A 76 -9.752 -6.681 -6.531 1.00 0.00 C ATOM 1198 OG1 THR A 76 -9.467 -8.071 -6.452 1.00 0.00 O ATOM 1199 CG2 THR A 76 -11.269 -6.534 -6.567 1.00 0.00 C ATOM 0 H THR A 76 -7.146 -5.923 -7.129 1.00 0.00 H new ATOM 0 HA THR A 76 -9.608 -6.564 -8.663 1.00 0.00 H new ATOM 0 HB THR A 76 -9.349 -6.134 -5.678 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.628 -8.206 -5.963 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.696 -6.945 -5.652 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.530 -5.479 -6.648 1.00 0.00 H new ATOM 0 HG23 THR A 76 -11.666 -7.073 -7.427 1.00 0.00 H new ATOM 1207 N LYS A 77 -9.509 -4.173 -9.171 1.00 0.00 N ATOM 1208 CA LYS A 77 -9.782 -2.808 -9.615 1.00 0.00 C ATOM 1209 C LYS A 77 -8.596 -1.883 -9.756 1.00 0.00 C ATOM 1210 O LYS A 77 -7.434 -2.305 -9.500 1.00 0.00 O ATOM 1211 CB LYS A 77 -10.908 -2.204 -8.803 1.00 0.00 C ATOM 1212 CG LYS A 77 -12.223 -2.101 -9.580 1.00 0.00 C ATOM 1213 CD LYS A 77 -12.711 -3.471 -10.042 1.00 0.00 C ATOM 1214 CE LYS A 77 -14.163 -3.482 -10.485 1.00 0.00 C ATOM 1215 NZ LYS A 77 -14.468 -2.424 -11.490 1.00 0.00 N ATOM 1216 OXT LYS A 77 -8.817 -0.787 -10.261 1.00 0.00 O1- ATOM 0 H LYS A 77 -9.483 -4.822 -9.957 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.099 -2.915 -10.652 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.068 -2.808 -7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.613 -1.210 -8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.983 -1.637 -8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.085 -1.452 -10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.086 -3.811 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.582 -4.186 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.402 -4.458 -10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.805 -3.346 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.449 -2.531 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.349 -1.487 -11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.819 -2.515 -12.298 1.00 0.00 H new TER 1230 LYS A 77