USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 741 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 37 MET CE :methyl 167:sc= -5.03! (180deg=-6.87!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= -1.89 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0595 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -3.89! C(o=-3.9!,f=-6.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -35:sc= 0.838 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.261 X(o=0.26,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.75! C(o=-1.7!,f=-4.8!) USER MOD Single : A 25 GLN : amide:sc= -0.936 K(o=-0.94,f=-4.4!) USER MOD Single : A 28 ASN : amide:sc= -1.21 K(o=-1.2,f=-6.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -138:sc= -2.91 (180deg=-4.08!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.0015) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 120:sc= -1.58 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0223 F(o=-0.65,f=-0.022) USER MOD Single : A 55 GLN : amide:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0263 X(o=-0.026,f=-0.33) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN :FLIP amide:sc= 0.936 F(o=-0.92,f=0.94) USER MOD Single : A 75 ASN : amide:sc= -0.0826 K(o=-0.083,f=-0.83) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.263 -10.486 -12.536 1.00 0.00 N ATOM 2 CA MET A 1 -13.865 -10.001 -12.686 1.00 0.00 C ATOM 3 C MET A 1 -12.870 -10.994 -12.095 1.00 0.00 C ATOM 4 O MET A 1 -13.234 -11.839 -11.276 1.00 0.00 O ATOM 5 CB MET A 1 -13.741 -8.648 -11.985 1.00 0.00 C ATOM 6 CG MET A 1 -14.016 -7.462 -12.895 1.00 0.00 C ATOM 7 SD MET A 1 -14.088 -5.900 -11.998 1.00 0.00 S ATOM 8 CE MET A 1 -12.630 -5.077 -12.634 1.00 0.00 C ATOM 0 H1 MET A 1 -15.870 -9.703 -12.219 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.607 -10.842 -13.451 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.291 -11.252 -11.833 1.00 0.00 H new ATOM 0 HA MET A 1 -13.634 -9.898 -13.746 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.435 -8.619 -11.145 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.737 -8.553 -11.572 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.237 -7.404 -13.655 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.960 -7.621 -13.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.537 -4.094 -12.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.746 -5.672 -12.403 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.718 -4.963 -13.714 1.00 0.00 H new ATOM 20 N ALA A 2 -11.614 -10.887 -12.514 1.00 0.00 N ATOM 21 CA ALA A 2 -10.567 -11.774 -12.025 1.00 0.00 C ATOM 22 C ALA A 2 -10.404 -11.650 -10.514 1.00 0.00 C ATOM 23 O ALA A 2 -11.235 -11.044 -9.838 1.00 0.00 O ATOM 24 CB ALA A 2 -9.251 -11.474 -12.727 1.00 0.00 C ATOM 0 H ALA A 2 -11.297 -10.194 -13.192 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.860 -12.800 -12.249 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.478 -12.144 -12.352 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.369 -11.621 -13.800 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.962 -10.441 -12.532 1.00 0.00 H new ATOM 30 N LEU A 3 -9.327 -12.228 -9.989 1.00 0.00 N ATOM 31 CA LEU A 3 -9.055 -12.181 -8.557 1.00 0.00 C ATOM 32 C LEU A 3 -10.167 -12.868 -7.770 1.00 0.00 C ATOM 33 O LEU A 3 -11.278 -12.348 -7.664 1.00 0.00 O ATOM 34 CB LEU A 3 -8.901 -10.731 -8.093 1.00 0.00 C ATOM 35 CG LEU A 3 -7.754 -10.482 -7.114 1.00 0.00 C ATOM 36 CD1 LEU A 3 -7.747 -9.031 -6.657 1.00 0.00 C ATOM 37 CD2 LEU A 3 -7.862 -11.418 -5.918 1.00 0.00 C ATOM 0 H LEU A 3 -8.629 -12.734 -10.534 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.122 -12.713 -8.371 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.754 -10.099 -8.969 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.833 -10.415 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.814 -10.685 -7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.924 -8.873 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.622 -8.378 -7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.690 -8.801 -6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.038 -11.227 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.809 -11.246 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.817 -12.452 -6.260 1.00 0.00 H new ATOM 49 N LEU A 4 -9.859 -14.037 -7.220 1.00 0.00 N ATOM 50 CA LEU A 4 -10.832 -14.796 -6.442 1.00 0.00 C ATOM 51 C LEU A 4 -11.278 -14.011 -5.213 1.00 0.00 C ATOM 52 O LEU A 4 -10.629 -13.044 -4.812 1.00 0.00 O ATOM 53 CB LEU A 4 -10.238 -16.140 -6.016 1.00 0.00 C ATOM 54 CG LEU A 4 -11.254 -17.164 -5.506 1.00 0.00 C ATOM 55 CD1 LEU A 4 -12.360 -17.373 -6.529 1.00 0.00 C ATOM 56 CD2 LEU A 4 -10.565 -18.482 -5.187 1.00 0.00 C ATOM 0 H LEU A 4 -8.944 -14.480 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.704 -14.975 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.706 -16.570 -6.864 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.500 -15.962 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.702 -16.779 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.073 -18.104 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.871 -16.428 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.929 -17.737 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.302 -19.199 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.090 -18.872 -6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.808 -18.321 -4.419 1.00 0.00 H new ATOM 68 N LYS A 5 -12.389 -14.434 -4.617 1.00 0.00 N ATOM 69 CA LYS A 5 -12.922 -13.771 -3.433 1.00 0.00 C ATOM 70 C LYS A 5 -11.947 -13.876 -2.265 1.00 0.00 C ATOM 71 O LYS A 5 -11.614 -12.875 -1.630 1.00 0.00 O ATOM 72 CB LYS A 5 -14.269 -14.382 -3.045 1.00 0.00 C ATOM 73 CG LYS A 5 -15.055 -13.540 -2.052 1.00 0.00 C ATOM 74 CD LYS A 5 -16.552 -13.652 -2.290 1.00 0.00 C ATOM 75 CE LYS A 5 -17.077 -12.472 -3.092 1.00 0.00 C ATOM 76 NZ LYS A 5 -17.112 -12.764 -4.551 1.00 0.00 N ATOM 0 H LYS A 5 -12.937 -15.233 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.064 -12.717 -3.670 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.868 -14.522 -3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.101 -15.370 -2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.822 -13.861 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.749 -12.497 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.769 -14.579 -2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.071 -13.703 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.080 -12.217 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.447 -11.601 -2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.476 -11.935 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.151 -12.982 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.733 -13.579 -4.727 1.00 0.00 H new ATOM 90 N ALA A 6 -11.493 -15.093 -1.988 1.00 0.00 N ATOM 91 CA ALA A 6 -10.557 -15.329 -0.896 1.00 0.00 C ATOM 92 C ALA A 6 -9.267 -14.543 -1.100 1.00 0.00 C ATOM 93 O ALA A 6 -8.662 -14.061 -0.141 1.00 0.00 O ATOM 94 CB ALA A 6 -10.257 -16.815 -0.770 1.00 0.00 C ATOM 0 H ALA A 6 -11.758 -15.931 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.020 -14.983 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.557 -16.977 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.181 -17.357 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.818 -17.178 -1.699 1.00 0.00 H new ATOM 100 N ASN A 7 -8.850 -14.415 -2.356 1.00 0.00 N ATOM 101 CA ASN A 7 -7.631 -13.686 -2.687 1.00 0.00 C ATOM 102 C ASN A 7 -7.853 -12.181 -2.582 1.00 0.00 C ATOM 103 O ASN A 7 -7.060 -11.468 -1.967 1.00 0.00 O ATOM 104 CB ASN A 7 -7.162 -14.048 -4.096 1.00 0.00 C ATOM 105 CG ASN A 7 -6.263 -15.269 -4.111 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.186 -15.255 -4.709 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.702 -16.336 -3.453 1.00 0.00 N ATOM 0 H ASN A 7 -9.339 -14.807 -3.161 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.860 -13.972 -1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.030 -14.232 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.627 -13.201 -4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.141 -17.187 -3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.600 -16.304 -2.971 1.00 0.00 H new ATOM 114 N LYS A 8 -8.934 -11.704 -3.189 1.00 0.00 N ATOM 115 CA LYS A 8 -9.261 -10.283 -3.165 1.00 0.00 C ATOM 116 C LYS A 8 -9.488 -9.801 -1.735 1.00 0.00 C ATOM 117 O LYS A 8 -9.208 -8.648 -1.406 1.00 0.00 O ATOM 118 CB LYS A 8 -10.504 -10.009 -4.011 1.00 0.00 C ATOM 119 CG LYS A 8 -10.717 -8.536 -4.321 1.00 0.00 C ATOM 120 CD LYS A 8 -12.177 -8.235 -4.622 1.00 0.00 C ATOM 121 CE LYS A 8 -12.520 -8.537 -6.071 1.00 0.00 C ATOM 122 NZ LYS A 8 -13.988 -8.490 -6.316 1.00 0.00 N ATOM 0 H LYS A 8 -9.599 -12.281 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.417 -9.735 -3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.425 -10.561 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.381 -10.392 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.387 -7.934 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.102 -8.250 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.815 -8.827 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.385 -7.187 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.021 -7.817 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.139 -9.523 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.180 -8.702 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.463 -9.194 -5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.348 -7.541 -6.088 1.00 0.00 H new ATOM 136 N ASP A 9 -9.998 -10.692 -0.891 1.00 0.00 N ATOM 137 CA ASP A 9 -10.263 -10.358 0.505 1.00 0.00 C ATOM 138 C ASP A 9 -8.978 -9.960 1.224 1.00 0.00 C ATOM 139 O ASP A 9 -9.001 -9.154 2.155 1.00 0.00 O ATOM 140 CB ASP A 9 -10.916 -11.542 1.219 1.00 0.00 C ATOM 141 CG ASP A 9 -11.917 -11.104 2.268 1.00 0.00 C ATOM 142 OD1 ASP A 9 -12.834 -10.327 1.927 1.00 0.00 O ATOM 143 OD2 ASP A 9 -11.785 -11.538 3.433 1.00 0.00 O ATOM 0 H ASP A 9 -10.236 -11.650 -1.148 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.946 -9.509 0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.416 -12.174 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.143 -12.150 1.690 1.00 0.00 H new ATOM 148 N LEU A 10 -7.860 -10.531 0.788 1.00 0.00 N ATOM 149 CA LEU A 10 -6.567 -10.236 1.390 1.00 0.00 C ATOM 150 C LEU A 10 -6.136 -8.806 1.080 1.00 0.00 C ATOM 151 O LEU A 10 -5.690 -8.076 1.964 1.00 0.00 O ATOM 152 CB LEU A 10 -5.515 -11.227 0.882 1.00 0.00 C ATOM 153 CG LEU A 10 -5.008 -12.221 1.927 1.00 0.00 C ATOM 154 CD1 LEU A 10 -3.922 -13.107 1.336 1.00 0.00 C ATOM 155 CD2 LEU A 10 -4.490 -11.488 3.154 1.00 0.00 C ATOM 0 H LEU A 10 -7.824 -11.201 0.020 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.660 -10.336 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.937 -11.785 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.665 -10.665 0.494 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.841 -12.854 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.572 -13.809 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.325 -13.660 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.089 -12.488 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.133 -12.212 3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.670 -10.830 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.294 -10.896 3.591 1.00 0.00 H new ATOM 167 N ILE A 11 -6.274 -8.413 -0.182 1.00 0.00 N ATOM 168 CA ILE A 11 -5.900 -7.070 -0.608 1.00 0.00 C ATOM 169 C ILE A 11 -6.871 -6.030 -0.060 1.00 0.00 C ATOM 170 O ILE A 11 -6.477 -4.910 0.268 1.00 0.00 O ATOM 171 CB ILE A 11 -5.859 -6.958 -2.145 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.014 -8.088 -2.738 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.310 -5.601 -2.564 1.00 0.00 C ATOM 174 CD1 ILE A 11 -4.944 -8.061 -4.250 1.00 0.00 C ATOM 0 H ILE A 11 -6.642 -9.005 -0.927 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.903 -6.878 -0.211 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.875 -7.050 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.003 -8.025 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.426 -9.045 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.287 -5.538 -3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.949 -4.812 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.300 -5.481 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.329 -8.890 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.949 -8.155 -4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.504 -7.119 -4.577 1.00 0.00 H new ATOM 186 N SER A 12 -8.142 -6.407 0.038 1.00 0.00 N ATOM 187 CA SER A 12 -9.169 -5.506 0.549 1.00 0.00 C ATOM 188 C SER A 12 -8.821 -5.020 1.951 1.00 0.00 C ATOM 189 O SER A 12 -8.966 -3.839 2.264 1.00 0.00 O ATOM 190 CB SER A 12 -10.530 -6.205 0.561 1.00 0.00 C ATOM 191 OG SER A 12 -10.570 -7.228 1.540 1.00 0.00 O ATOM 0 H SER A 12 -8.485 -7.330 -0.230 1.00 0.00 H new ATOM 0 HA SER A 12 -9.218 -4.641 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.315 -5.476 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.732 -6.630 -0.422 1.00 0.00 H new ATOM 0 HG SER A 12 -9.691 -7.656 1.602 1.00 0.00 H new ATOM 197 N ALA A 13 -8.356 -5.939 2.793 1.00 0.00 N ATOM 198 CA ALA A 13 -7.983 -5.600 4.159 1.00 0.00 C ATOM 199 C ALA A 13 -6.871 -4.557 4.175 1.00 0.00 C ATOM 200 O ALA A 13 -6.947 -3.563 4.898 1.00 0.00 O ATOM 201 CB ALA A 13 -7.551 -6.848 4.914 1.00 0.00 C ATOM 0 H ALA A 13 -8.229 -6.922 2.552 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.855 -5.175 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.275 -6.579 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.374 -7.562 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.694 -7.298 4.413 1.00 0.00 H new ATOM 207 N GLY A 14 -5.840 -4.790 3.370 1.00 0.00 N ATOM 208 CA GLY A 14 -4.728 -3.862 3.301 1.00 0.00 C ATOM 209 C GLY A 14 -5.117 -2.541 2.668 1.00 0.00 C ATOM 210 O GLY A 14 -4.605 -1.488 3.048 1.00 0.00 O ATOM 0 H GLY A 14 -5.755 -5.606 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.346 -3.682 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.918 -4.312 2.728 1.00 0.00 H new ATOM 214 N LEU A 15 -6.025 -2.597 1.698 1.00 0.00 N ATOM 215 CA LEU A 15 -6.484 -1.397 1.008 1.00 0.00 C ATOM 216 C LEU A 15 -7.075 -0.393 1.994 1.00 0.00 C ATOM 217 O LEU A 15 -6.772 0.799 1.940 1.00 0.00 O ATOM 218 CB LEU A 15 -7.522 -1.762 -0.057 1.00 0.00 C ATOM 219 CG LEU A 15 -7.196 -1.278 -1.470 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.274 -1.721 -2.448 1.00 0.00 C ATOM 221 CD2 LEU A 15 -7.042 0.235 -1.492 1.00 0.00 C ATOM 0 H LEU A 15 -6.457 -3.461 1.372 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.624 -0.935 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.634 -2.846 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.486 -1.348 0.239 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.250 -1.724 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.025 -1.367 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.336 -2.809 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.234 -1.304 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.810 0.562 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.972 0.700 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.234 0.528 -0.822 1.00 0.00 H new ATOM 233 N LYS A 16 -7.920 -0.885 2.895 1.00 0.00 N ATOM 234 CA LYS A 16 -8.554 -0.032 3.894 1.00 0.00 C ATOM 235 C LYS A 16 -7.535 0.461 4.914 1.00 0.00 C ATOM 236 O LYS A 16 -7.558 1.624 5.318 1.00 0.00 O ATOM 237 CB LYS A 16 -9.677 -0.792 4.603 1.00 0.00 C ATOM 238 CG LYS A 16 -10.519 0.083 5.517 1.00 0.00 C ATOM 239 CD LYS A 16 -11.341 -0.753 6.485 1.00 0.00 C ATOM 240 CE LYS A 16 -10.638 -0.906 7.824 1.00 0.00 C ATOM 241 NZ LYS A 16 -11.604 -0.959 8.956 1.00 0.00 N ATOM 0 H LYS A 16 -8.181 -1.869 2.954 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.976 0.833 3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.324 -1.250 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.243 -1.603 5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.870 0.757 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.183 0.705 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.314 -0.286 6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.523 -1.737 6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.037 -1.815 7.817 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.952 -0.072 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.085 -1.064 9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.160 -0.081 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.243 -1.770 8.830 1.00 0.00 H new ATOM 255 N GLU A 17 -6.639 -0.430 5.328 1.00 0.00 N ATOM 256 CA GLU A 17 -5.610 -0.085 6.302 1.00 0.00 C ATOM 257 C GLU A 17 -4.720 1.037 5.776 1.00 0.00 C ATOM 258 O GLU A 17 -4.266 1.890 6.538 1.00 0.00 O ATOM 259 CB GLU A 17 -4.761 -1.313 6.634 1.00 0.00 C ATOM 260 CG GLU A 17 -4.277 -1.346 8.075 1.00 0.00 C ATOM 261 CD GLU A 17 -3.984 -2.752 8.559 1.00 0.00 C ATOM 262 OE1 GLU A 17 -2.990 -3.346 8.093 1.00 0.00 O ATOM 263 OE2 GLU A 17 -4.750 -3.260 9.406 1.00 0.00 O ATOM 0 H GLU A 17 -6.605 -1.396 5.004 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.104 0.262 7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.344 -2.212 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.898 -1.338 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.376 -0.739 8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.032 -0.894 8.718 1.00 0.00 H new ATOM 270 N PHE A 18 -4.474 1.028 4.471 1.00 0.00 N ATOM 271 CA PHE A 18 -3.638 2.044 3.843 1.00 0.00 C ATOM 272 C PHE A 18 -4.369 3.381 3.770 1.00 0.00 C ATOM 273 O PHE A 18 -3.761 4.440 3.927 1.00 0.00 O ATOM 274 CB PHE A 18 -3.224 1.597 2.440 1.00 0.00 C ATOM 275 CG PHE A 18 -1.843 2.042 2.051 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.730 1.546 2.710 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.658 2.956 1.026 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.542 1.952 2.354 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.389 3.367 0.666 1.00 0.00 C ATOM 280 CZ PHE A 18 0.713 2.864 1.331 1.00 0.00 C ATOM 0 H PHE A 18 -4.842 0.328 3.827 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.744 2.173 4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.276 0.510 2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.940 1.988 1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.858 0.834 3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.516 3.352 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.401 1.557 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.258 4.081 -0.134 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.706 3.183 1.051 1.00 0.00 H new ATOM 290 N SER A 19 -5.674 3.323 3.530 1.00 0.00 N ATOM 291 CA SER A 19 -6.487 4.530 3.435 1.00 0.00 C ATOM 292 C SER A 19 -6.581 5.231 4.787 1.00 0.00 C ATOM 293 O SER A 19 -6.330 6.431 4.894 1.00 0.00 O ATOM 294 CB SER A 19 -7.889 4.187 2.928 1.00 0.00 C ATOM 295 OG SER A 19 -8.394 5.211 2.088 1.00 0.00 O ATOM 0 H SER A 19 -6.191 2.454 3.398 1.00 0.00 H new ATOM 0 HA SER A 19 -6.007 5.206 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.860 3.245 2.381 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.560 4.043 3.775 1.00 0.00 H new ATOM 0 HG SER A 19 -9.290 4.966 1.776 1.00 0.00 H new ATOM 301 N VAL A 20 -6.943 4.472 5.817 1.00 0.00 N ATOM 302 CA VAL A 20 -7.070 5.021 7.162 1.00 0.00 C ATOM 303 C VAL A 20 -5.731 5.548 7.665 1.00 0.00 C ATOM 304 O VAL A 20 -5.648 6.646 8.214 1.00 0.00 O ATOM 305 CB VAL A 20 -7.609 3.964 8.148 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.574 2.881 8.418 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.053 4.624 9.447 1.00 0.00 C ATOM 0 H VAL A 20 -7.153 3.476 5.746 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.780 5.846 7.108 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.475 3.486 7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.984 2.152 9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.316 2.383 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.680 3.332 8.848 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.430 3.864 10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.205 5.135 9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.842 5.347 9.237 1.00 0.00 H new ATOM 317 N LEU A 21 -4.688 4.752 7.473 1.00 0.00 N ATOM 318 CA LEU A 21 -3.345 5.128 7.905 1.00 0.00 C ATOM 319 C LEU A 21 -2.912 6.440 7.259 1.00 0.00 C ATOM 320 O LEU A 21 -2.225 7.251 7.880 1.00 0.00 O ATOM 321 CB LEU A 21 -2.347 4.022 7.557 1.00 0.00 C ATOM 322 CG LEU A 21 -1.000 4.116 8.276 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.081 3.466 9.649 1.00 0.00 C ATOM 324 CD2 LEU A 21 0.095 3.470 7.441 1.00 0.00 C ATOM 0 H LEU A 21 -4.744 3.840 7.020 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.364 5.265 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.800 3.058 7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.170 4.039 6.482 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.753 5.169 8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.114 3.543 10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.837 3.974 10.248 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.350 2.416 9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.046 3.546 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.145 2.420 7.275 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.170 3.981 6.481 1.00 0.00 H new ATOM 336 N LEU A 22 -3.318 6.643 6.011 1.00 0.00 N ATOM 337 CA LEU A 22 -2.972 7.857 5.281 1.00 0.00 C ATOM 338 C LEU A 22 -3.520 9.092 5.989 1.00 0.00 C ATOM 339 O LEU A 22 -2.846 10.119 6.079 1.00 0.00 O ATOM 340 CB LEU A 22 -3.513 7.791 3.852 1.00 0.00 C ATOM 341 CG LEU A 22 -2.631 7.033 2.860 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.384 6.777 1.563 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.349 7.806 2.589 1.00 0.00 C ATOM 0 H LEU A 22 -3.888 5.982 5.483 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.885 7.933 5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.496 7.321 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.654 8.808 3.486 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.367 6.071 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.740 6.236 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.274 6.183 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.678 7.728 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.733 7.252 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.594 8.782 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.800 7.938 3.521 1.00 0.00 H new ATOM 355 N ASN A 23 -4.746 8.985 6.491 1.00 0.00 N ATOM 356 CA ASN A 23 -5.385 10.094 7.191 1.00 0.00 C ATOM 357 C ASN A 23 -4.573 10.506 8.414 1.00 0.00 C ATOM 358 O ASN A 23 -4.582 11.671 8.814 1.00 0.00 O ATOM 359 CB ASN A 23 -6.804 9.709 7.611 1.00 0.00 C ATOM 360 CG ASN A 23 -7.782 10.858 7.467 1.00 0.00 C ATOM 361 OD1 ASN A 23 -8.873 10.695 6.920 1.00 0.00 O ATOM 362 ND2 ASN A 23 -7.395 12.030 7.958 1.00 0.00 N ATOM 0 H ASN A 23 -5.317 8.142 6.426 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.434 10.942 6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.144 8.869 7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.794 9.372 8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.011 12.840 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.482 12.120 8.403 1.00 0.00 H new ATOM 369 N GLN A 24 -3.873 9.544 9.006 1.00 0.00 N ATOM 370 CA GLN A 24 -3.056 9.808 10.186 1.00 0.00 C ATOM 371 C GLN A 24 -1.948 10.811 9.875 1.00 0.00 C ATOM 372 O GLN A 24 -1.425 11.469 10.775 1.00 0.00 O ATOM 373 CB GLN A 24 -2.446 8.507 10.711 1.00 0.00 C ATOM 374 CG GLN A 24 -3.482 7.479 11.139 1.00 0.00 C ATOM 375 CD GLN A 24 -2.920 6.453 12.103 1.00 0.00 C ATOM 376 OE1 GLN A 24 -2.437 5.398 11.693 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.982 6.758 13.394 1.00 0.00 N ATOM 0 H GLN A 24 -3.855 8.575 8.689 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.702 10.236 10.952 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.814 8.073 9.936 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.800 8.734 11.559 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.323 7.990 11.607 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.869 6.970 10.257 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.391 7.644 13.690 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.621 6.106 14.090 1.00 0.00 H new ATOM 386 N GLN A 25 -1.593 10.925 8.597 1.00 0.00 N ATOM 387 CA GLN A 25 -0.546 11.849 8.173 1.00 0.00 C ATOM 388 C GLN A 25 -0.848 13.270 8.639 1.00 0.00 C ATOM 389 O GLN A 25 0.056 14.009 9.030 1.00 0.00 O ATOM 390 CB GLN A 25 -0.401 11.820 6.650 1.00 0.00 C ATOM 391 CG GLN A 25 0.333 10.594 6.132 1.00 0.00 C ATOM 392 CD GLN A 25 1.836 10.697 6.310 1.00 0.00 C ATOM 393 OE1 GLN A 25 2.501 11.480 5.630 1.00 0.00 O ATOM 394 NE2 GLN A 25 2.380 9.905 7.226 1.00 0.00 N ATOM 0 H GLN A 25 -2.015 10.389 7.839 1.00 0.00 H new ATOM 0 HA GLN A 25 0.391 11.530 8.629 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.392 11.858 6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.131 12.715 6.327 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.031 9.709 6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.104 10.457 5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.791 9.271 7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.387 9.930 7.389 1.00 0.00 H new ATOM 403 N VAL A 26 -2.124 13.645 8.599 1.00 0.00 N ATOM 404 CA VAL A 26 -2.550 14.978 9.020 1.00 0.00 C ATOM 405 C VAL A 26 -2.119 16.045 8.017 1.00 0.00 C ATOM 406 O VAL A 26 -2.959 16.734 7.434 1.00 0.00 O ATOM 407 CB VAL A 26 -1.987 15.342 10.409 1.00 0.00 C ATOM 408 CG1 VAL A 26 -2.655 16.601 10.941 1.00 0.00 C ATOM 409 CG2 VAL A 26 -2.167 14.184 11.379 1.00 0.00 C ATOM 0 H VAL A 26 -2.883 13.043 8.279 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.638 14.952 9.072 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.920 15.538 10.309 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.246 16.843 11.922 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.470 17.428 10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.729 16.435 11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.764 14.460 12.353 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.228 13.953 11.477 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.639 13.308 11.002 1.00 0.00 H new ATOM 419 N PHE A 27 -0.810 16.182 7.822 1.00 0.00 N ATOM 420 CA PHE A 27 -0.267 17.169 6.893 1.00 0.00 C ATOM 421 C PHE A 27 -0.442 18.582 7.441 1.00 0.00 C ATOM 422 O PHE A 27 -1.547 19.126 7.443 1.00 0.00 O ATOM 423 CB PHE A 27 -0.942 17.057 5.524 1.00 0.00 C ATOM 424 CG PHE A 27 -1.021 15.650 5.003 1.00 0.00 C ATOM 425 CD1 PHE A 27 0.063 15.076 4.357 1.00 0.00 C ATOM 426 CD2 PHE A 27 -2.178 14.904 5.155 1.00 0.00 C ATOM 427 CE1 PHE A 27 -0.007 13.783 3.874 1.00 0.00 C ATOM 428 CE2 PHE A 27 -2.253 13.611 4.675 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.166 13.049 4.033 1.00 0.00 C ATOM 0 H PHE A 27 -0.104 15.620 8.297 1.00 0.00 H new ATOM 0 HA PHE A 27 0.798 16.966 6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.950 17.467 5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.395 17.670 4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.972 15.645 4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.031 15.338 5.655 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.844 13.347 3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.161 13.040 4.801 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.223 12.038 3.657 1.00 0.00 H new ATOM 439 N ASN A 28 0.654 19.171 7.906 1.00 0.00 N ATOM 440 CA ASN A 28 0.623 20.521 8.458 1.00 0.00 C ATOM 441 C ASN A 28 2.023 20.983 8.848 1.00 0.00 C ATOM 442 O ASN A 28 2.389 22.138 8.633 1.00 0.00 O ATOM 443 CB ASN A 28 -0.303 20.575 9.676 1.00 0.00 C ATOM 444 CG ASN A 28 -0.031 19.455 10.659 1.00 0.00 C ATOM 445 OD1 ASN A 28 0.034 18.284 10.282 1.00 0.00 O ATOM 446 ND2 ASN A 28 0.130 19.808 11.929 1.00 0.00 N ATOM 0 H ASN A 28 1.576 18.735 7.912 1.00 0.00 H new ATOM 0 HA ASN A 28 0.241 21.192 7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.181 21.534 10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.340 20.519 9.344 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.316 19.097 12.636 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.068 20.790 12.197 1.00 0.00 H new ATOM 453 N ASP A 29 2.802 20.073 9.423 1.00 0.00 N ATOM 454 CA ASP A 29 4.162 20.387 9.844 1.00 0.00 C ATOM 455 C ASP A 29 5.097 19.230 9.603 1.00 0.00 C ATOM 456 O ASP A 29 5.770 18.760 10.522 1.00 0.00 O ATOM 457 CB ASP A 29 4.184 20.795 11.318 1.00 0.00 C ATOM 458 CG ASP A 29 4.066 22.296 11.504 1.00 0.00 C ATOM 459 OD1 ASP A 29 5.106 22.985 11.436 1.00 0.00 O ATOM 460 OD2 ASP A 29 2.936 22.781 11.717 1.00 0.00 O ATOM 0 H ASP A 29 2.515 19.112 9.608 1.00 0.00 H new ATOM 0 HA ASP A 29 4.511 21.226 9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.365 20.301 11.841 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.110 20.447 11.775 1.00 0.00 H new ATOM 465 N PRO A 30 5.200 18.772 8.348 1.00 0.00 N ATOM 466 CA PRO A 30 6.107 17.707 8.029 1.00 0.00 C ATOM 467 C PRO A 30 7.512 18.259 7.874 1.00 0.00 C ATOM 468 O PRO A 30 7.775 19.122 7.036 1.00 0.00 O ATOM 469 CB PRO A 30 5.586 17.161 6.688 1.00 0.00 C ATOM 470 CG PRO A 30 4.454 18.055 6.275 1.00 0.00 C ATOM 471 CD PRO A 30 4.502 19.270 7.161 1.00 0.00 C ATOM 0 HA PRO A 30 6.153 16.937 8.799 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.375 17.162 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.248 16.130 6.794 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.550 18.339 5.227 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.499 17.540 6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.039 20.094 6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.504 19.636 7.401 1.00 0.00 H new ATOM 479 N LEU A 31 8.400 17.749 8.693 1.00 0.00 N ATOM 480 CA LEU A 31 9.797 18.165 8.681 1.00 0.00 C ATOM 481 C LEU A 31 10.600 17.351 7.670 1.00 0.00 C ATOM 482 O LEU A 31 11.572 17.841 7.096 1.00 0.00 O ATOM 483 CB LEU A 31 10.407 18.013 10.076 1.00 0.00 C ATOM 484 CG LEU A 31 10.260 19.234 10.984 1.00 0.00 C ATOM 485 CD1 LEU A 31 11.101 20.390 10.465 1.00 0.00 C ATOM 486 CD2 LEU A 31 8.799 19.643 11.092 1.00 0.00 C ATOM 0 H LEU A 31 8.183 17.035 9.388 1.00 0.00 H new ATOM 0 HA LEU A 31 9.835 19.214 8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.944 17.157 10.567 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.467 17.784 9.969 1.00 0.00 H new ATOM 0 HG LEU A 31 10.618 18.969 11.979 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.984 21.250 11.124 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.150 20.094 10.438 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.773 20.656 9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.712 20.514 11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.416 19.890 10.102 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.220 18.819 11.510 1.00 0.00 H new ATOM 498 N VAL A 32 10.186 16.106 7.458 1.00 0.00 N ATOM 499 CA VAL A 32 10.866 15.225 6.516 1.00 0.00 C ATOM 500 C VAL A 32 10.682 15.706 5.081 1.00 0.00 C ATOM 501 O VAL A 32 9.626 16.225 4.721 1.00 0.00 O ATOM 502 CB VAL A 32 10.353 13.778 6.629 1.00 0.00 C ATOM 503 CG1 VAL A 32 11.206 12.840 5.789 1.00 0.00 C ATOM 504 CG2 VAL A 32 10.330 13.331 8.083 1.00 0.00 C ATOM 0 H VAL A 32 9.383 15.685 7.926 1.00 0.00 H new ATOM 0 HA VAL A 32 11.925 15.248 6.771 1.00 0.00 H new ATOM 0 HB VAL A 32 9.333 13.744 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.827 11.822 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.165 13.148 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.238 12.876 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.965 12.306 8.143 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.338 13.382 8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.671 13.985 8.654 1.00 0.00 H new ATOM 514 N SER A 33 11.717 15.531 4.266 1.00 0.00 N ATOM 515 CA SER A 33 11.671 15.948 2.870 1.00 0.00 C ATOM 516 C SER A 33 10.832 14.979 2.042 1.00 0.00 C ATOM 517 O SER A 33 10.554 13.859 2.471 1.00 0.00 O ATOM 518 CB SER A 33 13.085 16.037 2.295 1.00 0.00 C ATOM 519 OG SER A 33 13.671 17.296 2.576 1.00 0.00 O ATOM 0 H SER A 33 12.598 15.103 4.549 1.00 0.00 H new ATOM 0 HA SER A 33 11.207 16.933 2.825 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.702 15.243 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.053 15.880 1.217 1.00 0.00 H new ATOM 0 HG SER A 33 14.575 17.327 2.199 1.00 0.00 H new ATOM 525 N GLU A 34 10.434 15.418 0.852 1.00 0.00 N ATOM 526 CA GLU A 34 9.626 14.589 -0.037 1.00 0.00 C ATOM 527 C GLU A 34 10.440 13.417 -0.575 1.00 0.00 C ATOM 528 O GLU A 34 9.901 12.340 -0.832 1.00 0.00 O ATOM 529 CB GLU A 34 9.087 15.427 -1.198 1.00 0.00 C ATOM 530 CG GLU A 34 10.172 16.128 -1.998 1.00 0.00 C ATOM 531 CD GLU A 34 10.369 17.570 -1.575 1.00 0.00 C ATOM 532 OE1 GLU A 34 9.356 18.273 -1.373 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.535 17.997 -1.446 1.00 0.00 O ATOM 0 H GLU A 34 10.657 16.342 0.481 1.00 0.00 H new ATOM 0 HA GLU A 34 8.788 14.193 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.515 14.782 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.396 16.174 -0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.111 15.587 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.916 16.096 -3.057 1.00 0.00 H new ATOM 540 N GLU A 35 11.740 13.632 -0.744 1.00 0.00 N ATOM 541 CA GLU A 35 12.628 12.594 -1.252 1.00 0.00 C ATOM 542 C GLU A 35 12.746 11.444 -0.256 1.00 0.00 C ATOM 543 O GLU A 35 12.586 10.278 -0.617 1.00 0.00 O ATOM 544 CB GLU A 35 14.013 13.174 -1.544 1.00 0.00 C ATOM 545 CG GLU A 35 14.114 13.852 -2.900 1.00 0.00 C ATOM 546 CD GLU A 35 15.421 14.600 -3.082 1.00 0.00 C ATOM 547 OE1 GLU A 35 15.653 15.577 -2.340 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.211 14.208 -3.965 1.00 0.00 O ATOM 0 H GLU A 35 12.202 14.517 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 35 12.201 12.208 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.267 13.895 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.751 12.374 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.016 13.102 -3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.282 14.547 -3.018 1.00 0.00 H new ATOM 555 N ASP A 36 13.026 11.781 0.999 1.00 0.00 N ATOM 556 CA ASP A 36 13.165 10.776 2.047 1.00 0.00 C ATOM 557 C ASP A 36 11.846 10.062 2.301 1.00 0.00 C ATOM 558 O ASP A 36 11.820 8.915 2.749 1.00 0.00 O ATOM 559 CB ASP A 36 13.673 11.418 3.339 1.00 0.00 C ATOM 560 CG ASP A 36 14.479 10.454 4.187 1.00 0.00 C ATOM 561 OD1 ASP A 36 13.877 9.530 4.773 1.00 0.00 O ATOM 562 OD2 ASP A 36 15.715 10.620 4.263 1.00 0.00 O ATOM 0 H ASP A 36 13.161 12.741 1.315 1.00 0.00 H new ATOM 0 HA ASP A 36 13.892 10.038 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.289 12.283 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.825 11.784 3.917 1.00 0.00 H new ATOM 567 N MET A 37 10.757 10.752 2.012 1.00 0.00 N ATOM 568 CA MET A 37 9.421 10.198 2.204 1.00 0.00 C ATOM 569 C MET A 37 9.128 9.114 1.173 1.00 0.00 C ATOM 570 O MET A 37 8.415 8.151 1.455 1.00 0.00 O ATOM 571 CB MET A 37 8.369 11.305 2.110 1.00 0.00 C ATOM 572 CG MET A 37 7.002 10.889 2.628 1.00 0.00 C ATOM 573 SD MET A 37 6.751 11.325 4.359 1.00 0.00 S ATOM 574 CE MET A 37 7.024 13.095 4.306 1.00 0.00 C ATOM 0 H MET A 37 10.768 11.702 1.641 1.00 0.00 H new ATOM 0 HA MET A 37 9.380 9.750 3.197 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.714 12.172 2.674 1.00 0.00 H new ATOM 0 HB3 MET A 37 8.275 11.618 1.070 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.229 11.363 2.023 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.885 9.812 2.508 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.683 13.544 5.239 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.087 13.295 4.174 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.468 13.524 3.473 1.00 0.00 H new ATOM 584 N VAL A 38 9.683 9.278 -0.024 1.00 0.00 N ATOM 585 CA VAL A 38 9.481 8.313 -1.098 1.00 0.00 C ATOM 586 C VAL A 38 9.975 6.928 -0.693 1.00 0.00 C ATOM 587 O VAL A 38 9.255 5.938 -0.829 1.00 0.00 O ATOM 588 CB VAL A 38 10.205 8.746 -2.387 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.820 7.840 -3.547 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.894 10.200 -2.711 1.00 0.00 C ATOM 0 H VAL A 38 10.276 10.070 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 38 8.408 8.273 -1.288 1.00 0.00 H new ATOM 0 HB VAL A 38 11.279 8.655 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.341 8.162 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.098 6.812 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.744 7.896 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.414 10.488 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.820 10.320 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.225 10.835 -1.889 1.00 0.00 H new ATOM 600 N THR A 39 11.205 6.865 -0.197 1.00 0.00 N ATOM 601 CA THR A 39 11.795 5.602 0.228 1.00 0.00 C ATOM 602 C THR A 39 10.972 4.965 1.343 1.00 0.00 C ATOM 603 O THR A 39 10.907 3.741 1.458 1.00 0.00 O ATOM 604 CB THR A 39 13.233 5.819 0.700 1.00 0.00 C ATOM 605 OG1 THR A 39 13.804 4.601 1.145 1.00 0.00 O ATOM 606 CG2 THR A 39 13.349 6.820 1.827 1.00 0.00 C ATOM 0 H THR A 39 11.814 7.675 -0.079 1.00 0.00 H new ATOM 0 HA THR A 39 11.799 4.926 -0.627 1.00 0.00 H new ATOM 0 HB THR A 39 13.765 6.211 -0.167 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.724 4.760 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.395 6.926 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.963 7.785 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.772 6.472 2.684 1.00 0.00 H new ATOM 614 N VAL A 40 10.348 5.803 2.164 1.00 0.00 N ATOM 615 CA VAL A 40 9.531 5.322 3.271 1.00 0.00 C ATOM 616 C VAL A 40 8.281 4.611 2.761 1.00 0.00 C ATOM 617 O VAL A 40 7.933 3.529 3.234 1.00 0.00 O ATOM 618 CB VAL A 40 9.108 6.475 4.201 1.00 0.00 C ATOM 619 CG1 VAL A 40 8.392 5.936 5.431 1.00 0.00 C ATOM 620 CG2 VAL A 40 10.316 7.308 4.603 1.00 0.00 C ATOM 0 H VAL A 40 10.393 6.819 2.083 1.00 0.00 H new ATOM 0 HA VAL A 40 10.144 4.618 3.834 1.00 0.00 H new ATOM 0 HB VAL A 40 8.415 7.118 3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.101 6.766 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.502 5.387 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.059 5.269 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.997 8.118 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.035 6.678 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.782 7.727 3.711 1.00 0.00 H new ATOM 630 N VAL A 41 7.610 5.226 1.792 1.00 0.00 N ATOM 631 CA VAL A 41 6.400 4.653 1.217 1.00 0.00 C ATOM 632 C VAL A 41 6.679 3.288 0.598 1.00 0.00 C ATOM 633 O VAL A 41 5.823 2.403 0.608 1.00 0.00 O ATOM 634 CB VAL A 41 5.794 5.575 0.143 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.434 5.060 -0.300 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.689 7.002 0.663 1.00 0.00 C ATOM 0 H VAL A 41 7.885 6.122 1.389 1.00 0.00 H new ATOM 0 HA VAL A 41 5.686 4.542 2.033 1.00 0.00 H new ATOM 0 HB VAL A 41 6.455 5.575 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.023 5.725 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.542 4.058 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.761 5.027 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.259 7.640 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.051 7.021 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.682 7.368 0.924 1.00 0.00 H new ATOM 646 N GLU A 42 7.883 3.123 0.059 1.00 0.00 N ATOM 647 CA GLU A 42 8.276 1.866 -0.566 1.00 0.00 C ATOM 648 C GLU A 42 8.482 0.778 0.483 1.00 0.00 C ATOM 649 O GLU A 42 7.942 -0.322 0.366 1.00 0.00 O ATOM 650 CB GLU A 42 9.557 2.055 -1.379 1.00 0.00 C ATOM 651 CG GLU A 42 9.402 3.019 -2.544 1.00 0.00 C ATOM 652 CD GLU A 42 9.068 2.313 -3.844 1.00 0.00 C ATOM 653 OE1 GLU A 42 8.019 1.638 -3.901 1.00 0.00 O ATOM 654 OE2 GLU A 42 9.856 2.437 -4.806 1.00 0.00 O ATOM 0 H GLU A 42 8.603 3.845 0.043 1.00 0.00 H new ATOM 0 HA GLU A 42 7.473 1.555 -1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.345 2.419 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.882 1.087 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.617 3.739 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.326 3.584 -2.669 1.00 0.00 H new ATOM 661 N ASP A 43 9.267 1.093 1.509 1.00 0.00 N ATOM 662 CA ASP A 43 9.545 0.141 2.578 1.00 0.00 C ATOM 663 C ASP A 43 8.284 -0.154 3.385 1.00 0.00 C ATOM 664 O ASP A 43 8.105 -1.261 3.893 1.00 0.00 O ATOM 665 CB ASP A 43 10.638 0.684 3.500 1.00 0.00 C ATOM 666 CG ASP A 43 11.562 -0.407 4.005 1.00 0.00 C ATOM 667 OD1 ASP A 43 12.227 -1.056 3.170 1.00 0.00 O ATOM 668 OD2 ASP A 43 11.621 -0.613 5.236 1.00 0.00 O ATOM 0 H ASP A 43 9.721 1.999 1.622 1.00 0.00 H new ATOM 0 HA ASP A 43 9.890 -0.788 2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.222 1.433 2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.176 1.187 4.349 1.00 0.00 H new ATOM 673 N TRP A 44 7.412 0.842 3.496 1.00 0.00 N ATOM 674 CA TRP A 44 6.167 0.690 4.240 1.00 0.00 C ATOM 675 C TRP A 44 5.293 -0.397 3.621 1.00 0.00 C ATOM 676 O TRP A 44 4.809 -1.289 4.316 1.00 0.00 O ATOM 677 CB TRP A 44 5.406 2.018 4.278 1.00 0.00 C ATOM 678 CG TRP A 44 5.387 2.652 5.636 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.298 2.475 6.637 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.408 3.567 6.141 1.00 0.00 C ATOM 681 NE1 TRP A 44 5.943 3.223 7.734 1.00 0.00 N ATOM 682 CE2 TRP A 44 4.787 3.901 7.454 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.246 4.136 5.609 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.046 4.779 8.243 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.513 5.006 6.393 1.00 0.00 C ATOM 686 CH2 TRP A 44 2.915 5.321 7.698 1.00 0.00 C ATOM 0 H TRP A 44 7.544 1.764 3.080 1.00 0.00 H new ATOM 0 HA TRP A 44 6.414 0.393 5.259 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.860 2.709 3.568 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.381 1.851 3.948 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.170 1.840 6.576 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.457 3.266 8.614 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.928 3.900 4.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.354 5.023 9.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.614 5.451 5.993 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.320 6.005 8.285 1.00 0.00 H new ATOM 697 N MET A 45 5.096 -0.314 2.309 1.00 0.00 N ATOM 698 CA MET A 45 4.281 -1.290 1.595 1.00 0.00 C ATOM 699 C MET A 45 4.938 -2.665 1.610 1.00 0.00 C ATOM 700 O MET A 45 4.256 -3.690 1.639 1.00 0.00 O ATOM 701 CB MET A 45 4.053 -0.837 0.152 1.00 0.00 C ATOM 702 CG MET A 45 5.340 -0.595 -0.621 1.00 0.00 C ATOM 703 SD MET A 45 5.106 -0.686 -2.405 1.00 0.00 S ATOM 704 CE MET A 45 3.772 0.487 -2.632 1.00 0.00 C ATOM 0 H MET A 45 5.490 0.419 1.719 1.00 0.00 H new ATOM 0 HA MET A 45 3.319 -1.362 2.103 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.463 -1.592 -0.368 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.464 0.080 0.157 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.737 0.386 -0.360 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.085 -1.331 -0.318 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.051 0.085 -3.344 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.278 0.666 -1.677 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.174 1.425 -3.014 1.00 0.00 H new ATOM 714 N ASN A 46 6.267 -2.682 1.590 1.00 0.00 N ATOM 715 CA ASN A 46 7.018 -3.932 1.601 1.00 0.00 C ATOM 716 C ASN A 46 6.682 -4.761 2.837 1.00 0.00 C ATOM 717 O ASN A 46 6.714 -5.991 2.798 1.00 0.00 O ATOM 718 CB ASN A 46 8.521 -3.648 1.557 1.00 0.00 C ATOM 719 CG ASN A 46 9.277 -4.664 0.723 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.368 -5.837 1.086 1.00 0.00 O ATOM 721 ND2 ASN A 46 9.825 -4.217 -0.400 1.00 0.00 N ATOM 0 H ASN A 46 6.847 -1.843 1.566 1.00 0.00 H new ATOM 0 HA ASN A 46 6.736 -4.503 0.716 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.688 -2.651 1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.918 -3.648 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.347 -4.854 -1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.724 -3.236 -0.662 1.00 0.00 H new ATOM 728 N PHE A 47 6.360 -4.079 3.931 1.00 0.00 N ATOM 729 CA PHE A 47 6.018 -4.753 5.178 1.00 0.00 C ATOM 730 C PHE A 47 4.721 -5.545 5.033 1.00 0.00 C ATOM 731 O PHE A 47 4.591 -6.645 5.570 1.00 0.00 O ATOM 732 CB PHE A 47 5.883 -3.735 6.311 1.00 0.00 C ATOM 733 CG PHE A 47 6.401 -4.234 7.630 1.00 0.00 C ATOM 734 CD1 PHE A 47 7.695 -4.715 7.744 1.00 0.00 C ATOM 735 CD2 PHE A 47 5.593 -4.220 8.756 1.00 0.00 C ATOM 736 CE1 PHE A 47 8.175 -5.174 8.956 1.00 0.00 C ATOM 737 CE2 PHE A 47 6.067 -4.678 9.972 1.00 0.00 C ATOM 738 CZ PHE A 47 7.359 -5.156 10.071 1.00 0.00 C ATOM 0 H PHE A 47 6.329 -3.061 3.979 1.00 0.00 H new ATOM 0 HA PHE A 47 6.822 -5.449 5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.421 -2.827 6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.833 -3.463 6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.336 -4.732 6.875 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.582 -3.847 8.683 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.186 -5.546 9.032 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.428 -4.662 10.843 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.731 -5.515 11.019 1.00 0.00 H new ATOM 748 N TYR A 48 3.766 -4.977 4.305 1.00 0.00 N ATOM 749 CA TYR A 48 2.479 -5.630 4.089 1.00 0.00 C ATOM 750 C TYR A 48 2.635 -6.865 3.207 1.00 0.00 C ATOM 751 O TYR A 48 1.954 -7.871 3.405 1.00 0.00 O ATOM 752 CB TYR A 48 1.489 -4.654 3.451 1.00 0.00 C ATOM 753 CG TYR A 48 1.174 -3.457 4.319 1.00 0.00 C ATOM 754 CD1 TYR A 48 2.028 -2.363 4.364 1.00 0.00 C ATOM 755 CD2 TYR A 48 0.021 -3.421 5.093 1.00 0.00 C ATOM 756 CE1 TYR A 48 1.743 -1.266 5.155 1.00 0.00 C ATOM 757 CE2 TYR A 48 -0.271 -2.329 5.888 1.00 0.00 C ATOM 758 CZ TYR A 48 0.592 -1.255 5.915 1.00 0.00 C ATOM 759 OH TYR A 48 0.305 -0.165 6.705 1.00 0.00 O ATOM 0 H TYR A 48 3.858 -4.067 3.855 1.00 0.00 H new ATOM 0 HA TYR A 48 2.093 -5.946 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.895 -4.307 2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.563 -5.184 3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.930 -2.369 3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.658 -4.260 5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.417 -0.423 5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.171 -2.317 6.485 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.542 -0.315 7.175 1.00 0.00 H new ATOM 769 N ILE A 49 3.535 -6.781 2.233 1.00 0.00 N ATOM 770 CA ILE A 49 3.779 -7.891 1.321 1.00 0.00 C ATOM 771 C ILE A 49 4.412 -9.072 2.049 1.00 0.00 C ATOM 772 O ILE A 49 4.133 -10.229 1.735 1.00 0.00 O ATOM 773 CB ILE A 49 4.696 -7.469 0.154 1.00 0.00 C ATOM 774 CG1 ILE A 49 4.155 -6.205 -0.517 1.00 0.00 C ATOM 775 CG2 ILE A 49 4.825 -8.599 -0.857 1.00 0.00 C ATOM 776 CD1 ILE A 49 5.005 -5.724 -1.673 1.00 0.00 C ATOM 0 H ILE A 49 4.107 -5.956 2.055 1.00 0.00 H new ATOM 0 HA ILE A 49 2.810 -8.191 0.922 1.00 0.00 H new ATOM 0 HB ILE A 49 5.687 -7.251 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.144 -6.398 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.084 -5.411 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.475 -8.284 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.252 -9.476 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.840 -8.847 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.562 -4.825 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.010 -5.499 -1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.056 -6.501 -2.435 1.00 0.00 H new ATOM 788 N ASN A 50 5.265 -8.772 3.023 1.00 0.00 N ATOM 789 CA ASN A 50 5.938 -9.810 3.796 1.00 0.00 C ATOM 790 C ASN A 50 4.971 -10.483 4.765 1.00 0.00 C ATOM 791 O ASN A 50 4.999 -11.702 4.939 1.00 0.00 O ATOM 792 CB ASN A 50 7.119 -9.216 4.565 1.00 0.00 C ATOM 793 CG ASN A 50 8.394 -9.200 3.745 1.00 0.00 C ATOM 794 OD1 ASN A 50 8.494 -8.490 2.744 1.00 0.00 O ATOM 795 ND2 ASN A 50 9.379 -9.985 4.167 1.00 0.00 N ATOM 0 H ASN A 50 5.507 -7.819 3.296 1.00 0.00 H new ATOM 0 HA ASN A 50 6.308 -10.563 3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.875 -8.199 4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.283 -9.793 5.475 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.261 -10.016 3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.253 -10.557 5.002 1.00 0.00 H new ATOM 802 N TYR A 51 4.119 -9.682 5.396 1.00 0.00 N ATOM 803 CA TYR A 51 3.145 -10.201 6.349 1.00 0.00 C ATOM 804 C TYR A 51 2.000 -10.907 5.631 1.00 0.00 C ATOM 805 O TYR A 51 1.454 -11.891 6.129 1.00 0.00 O ATOM 806 CB TYR A 51 2.596 -9.068 7.218 1.00 0.00 C ATOM 807 CG TYR A 51 2.310 -9.481 8.643 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.345 -9.718 9.539 1.00 0.00 C ATOM 809 CD2 TYR A 51 1.005 -9.634 9.093 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.087 -10.096 10.843 1.00 0.00 C ATOM 811 CE2 TYR A 51 0.739 -10.012 10.397 1.00 0.00 C ATOM 812 CZ TYR A 51 1.783 -10.241 11.267 1.00 0.00 C ATOM 813 OH TYR A 51 1.523 -10.617 12.564 1.00 0.00 O ATOM 0 H TYR A 51 4.083 -8.671 5.265 1.00 0.00 H new ATOM 0 HA TYR A 51 3.651 -10.926 6.986 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.312 -8.246 7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.679 -8.688 6.768 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.368 -9.605 9.211 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.185 -9.455 8.414 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.903 -10.277 11.527 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.281 -10.127 10.731 1.00 0.00 H new ATOM 0 HH TYR A 51 0.554 -10.672 12.701 1.00 0.00 H new ATOM 823 N TYR A 52 1.639 -10.399 4.458 1.00 0.00 N ATOM 824 CA TYR A 52 0.557 -10.982 3.673 1.00 0.00 C ATOM 825 C TYR A 52 0.988 -12.304 3.047 1.00 0.00 C ATOM 826 O TYR A 52 0.175 -13.211 2.867 1.00 0.00 O ATOM 827 CB TYR A 52 0.111 -10.009 2.580 1.00 0.00 C ATOM 828 CG TYR A 52 -0.881 -8.973 3.059 1.00 0.00 C ATOM 829 CD1 TYR A 52 -1.982 -9.339 3.823 1.00 0.00 C ATOM 830 CD2 TYR A 52 -0.715 -7.629 2.749 1.00 0.00 C ATOM 831 CE1 TYR A 52 -2.891 -8.395 4.264 1.00 0.00 C ATOM 832 CE2 TYR A 52 -1.619 -6.679 3.186 1.00 0.00 C ATOM 833 CZ TYR A 52 -2.704 -7.067 3.942 1.00 0.00 C ATOM 834 OH TYR A 52 -3.607 -6.124 4.379 1.00 0.00 O ATOM 0 H TYR A 52 2.080 -9.585 4.030 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.281 -11.175 4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.988 -9.501 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.334 -10.575 1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.130 -10.378 4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.134 -7.321 2.157 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.742 -8.696 4.857 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.476 -5.638 2.936 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.147 -5.468 4.943 1.00 0.00 H new ATOM 844 N ARG A 53 2.271 -12.407 2.715 1.00 0.00 N ATOM 845 CA ARG A 53 2.809 -13.619 2.107 1.00 0.00 C ATOM 846 C ARG A 53 2.788 -14.785 3.091 1.00 0.00 C ATOM 847 O ARG A 53 2.660 -15.943 2.693 1.00 0.00 O ATOM 848 CB ARG A 53 4.237 -13.377 1.618 1.00 0.00 C ATOM 849 CG ARG A 53 4.708 -14.390 0.587 1.00 0.00 C ATOM 850 CD ARG A 53 4.536 -13.865 -0.830 1.00 0.00 C ATOM 851 NE ARG A 53 5.761 -13.254 -1.341 1.00 0.00 N ATOM 852 CZ ARG A 53 5.813 -12.503 -2.438 1.00 0.00 C ATOM 853 NH1 ARG A 53 4.713 -12.267 -3.143 1.00 0.00 N ATOM 854 NH2 ARG A 53 6.969 -11.985 -2.832 1.00 0.00 N ATOM 0 H ARG A 53 2.957 -11.666 2.857 1.00 0.00 H new ATOM 0 HA ARG A 53 2.177 -13.877 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.300 -12.377 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.913 -13.400 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.757 -14.629 0.763 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.146 -15.317 0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.238 -14.683 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.730 -13.132 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 53 6.627 -13.413 -0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.821 -12.662 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.760 -11.690 -3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.817 -12.163 -2.294 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.010 -11.409 -3.673 1.00 0.00 H new ATOM 868 N GLN A 54 2.915 -14.473 4.377 1.00 0.00 N ATOM 869 CA GLN A 54 2.914 -15.495 5.414 1.00 0.00 C ATOM 870 C GLN A 54 1.496 -15.796 5.901 1.00 0.00 C ATOM 871 O GLN A 54 1.310 -16.517 6.881 1.00 0.00 O ATOM 872 CB GLN A 54 3.782 -15.047 6.590 1.00 0.00 C ATOM 873 CG GLN A 54 3.454 -13.653 7.096 1.00 0.00 C ATOM 874 CD GLN A 54 4.144 -13.332 8.408 1.00 0.00 C ATOM 875 OE1 GLN A 54 3.379 -12.839 9.374 1.00 0.00 O flip ATOM 876 NE2 GLN A 54 5.351 -13.526 8.550 1.00 0.00 N flip ATOM 0 H GLN A 54 3.020 -13.520 4.724 1.00 0.00 H new ATOM 0 HA GLN A 54 3.325 -16.409 4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.664 -15.758 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.829 -15.077 6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.749 -12.919 6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.376 -13.562 7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.900 -13.907 7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.802 -13.306 9.438 1.00 0.00 H new ATOM 885 N GLN A 55 0.497 -15.243 5.214 1.00 0.00 N ATOM 886 CA GLN A 55 -0.895 -15.461 5.588 1.00 0.00 C ATOM 887 C GLN A 55 -1.756 -15.713 4.353 1.00 0.00 C ATOM 888 O GLN A 55 -2.870 -15.200 4.243 1.00 0.00 O ATOM 889 CB GLN A 55 -1.431 -14.254 6.361 1.00 0.00 C ATOM 890 CG GLN A 55 -2.398 -14.627 7.474 1.00 0.00 C ATOM 891 CD GLN A 55 -1.717 -14.734 8.825 1.00 0.00 C ATOM 892 OE1 GLN A 55 -1.690 -15.802 9.437 1.00 0.00 O ATOM 893 NE2 GLN A 55 -1.165 -13.622 9.299 1.00 0.00 N ATOM 0 H GLN A 55 0.627 -14.643 4.399 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.941 -16.343 6.227 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.592 -13.705 6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.932 -13.581 5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.190 -13.880 7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.873 -15.578 7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.211 -12.759 8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.695 -13.632 10.204 1.00 0.00 H new ATOM 902 N VAL A 56 -1.231 -16.507 3.425 1.00 0.00 N ATOM 903 CA VAL A 56 -1.950 -16.828 2.197 1.00 0.00 C ATOM 904 C VAL A 56 -2.410 -18.284 2.200 1.00 0.00 C ATOM 905 O VAL A 56 -2.078 -19.045 3.108 1.00 0.00 O ATOM 906 CB VAL A 56 -1.089 -16.575 0.935 1.00 0.00 C ATOM 907 CG1 VAL A 56 -1.779 -15.590 0.005 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.302 -16.076 1.308 1.00 0.00 C ATOM 0 H VAL A 56 -0.310 -16.940 3.500 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.816 -16.167 2.164 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.975 -17.524 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.158 -15.425 -0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.744 -15.994 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.930 -14.644 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.883 -15.907 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.217 -15.142 1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.802 -16.821 1.926 1.00 0.00 H new ATOM 918 N THR A 57 -3.167 -18.661 1.175 1.00 0.00 N ATOM 919 CA THR A 57 -3.667 -20.017 1.046 1.00 0.00 C ATOM 920 C THR A 57 -4.220 -20.245 -0.352 1.00 0.00 C ATOM 921 O THR A 57 -4.800 -19.347 -0.962 1.00 0.00 O ATOM 922 CB THR A 57 -4.756 -20.304 2.079 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.613 -19.186 2.229 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.213 -20.657 3.446 1.00 0.00 C ATOM 0 H THR A 57 -3.447 -18.038 0.418 1.00 0.00 H new ATOM 0 HA THR A 57 -2.833 -20.697 1.222 1.00 0.00 H new ATOM 0 HB THR A 57 -5.298 -21.167 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.304 -19.390 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.041 -20.848 4.128 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.591 -21.549 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.615 -19.828 3.825 1.00 0.00 H new ATOM 932 N GLY A 58 -4.029 -21.451 -0.848 1.00 0.00 N ATOM 933 CA GLY A 58 -4.501 -21.802 -2.171 1.00 0.00 C ATOM 934 C GLY A 58 -3.429 -22.473 -3.000 1.00 0.00 C ATOM 935 O GLY A 58 -2.804 -23.440 -2.565 1.00 0.00 O ATOM 0 H GLY A 58 -3.550 -22.204 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.360 -22.467 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.844 -20.903 -2.683 1.00 0.00 H new ATOM 939 N GLU A 59 -3.220 -21.950 -4.194 1.00 0.00 N ATOM 940 CA GLU A 59 -2.218 -22.485 -5.106 1.00 0.00 C ATOM 941 C GLU A 59 -1.027 -21.535 -5.215 1.00 0.00 C ATOM 942 O GLU A 59 -1.167 -20.328 -5.017 1.00 0.00 O ATOM 943 CB GLU A 59 -2.827 -22.721 -6.489 1.00 0.00 C ATOM 944 CG GLU A 59 -4.188 -23.395 -6.447 1.00 0.00 C ATOM 945 CD GLU A 59 -4.356 -24.438 -7.535 1.00 0.00 C ATOM 946 OE1 GLU A 59 -3.803 -25.548 -7.383 1.00 0.00 O ATOM 947 OE2 GLU A 59 -5.041 -24.145 -8.537 1.00 0.00 O ATOM 0 H GLU A 59 -3.734 -21.149 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.869 -23.437 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.920 -21.765 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.145 -23.335 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.327 -23.865 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.967 -22.639 -6.550 1.00 0.00 H new ATOM 954 N PRO A 60 0.165 -22.069 -5.532 1.00 0.00 N ATOM 955 CA PRO A 60 1.381 -21.261 -5.666 1.00 0.00 C ATOM 956 C PRO A 60 1.182 -20.055 -6.579 1.00 0.00 C ATOM 957 O PRO A 60 1.671 -18.962 -6.296 1.00 0.00 O ATOM 958 CB PRO A 60 2.388 -22.235 -6.280 1.00 0.00 C ATOM 959 CG PRO A 60 1.921 -23.582 -5.849 1.00 0.00 C ATOM 960 CD PRO A 60 0.420 -23.500 -5.785 1.00 0.00 C ATOM 0 HA PRO A 60 1.698 -20.843 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.408 -22.152 -7.367 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.399 -22.034 -5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.240 -24.350 -6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.339 -23.848 -4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.040 -23.832 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.017 -24.127 -4.989 1.00 0.00 H new ATOM 968 N GLN A 61 0.462 -20.263 -7.676 1.00 0.00 N ATOM 969 CA GLN A 61 0.199 -19.193 -8.632 1.00 0.00 C ATOM 970 C GLN A 61 -0.851 -18.224 -8.100 1.00 0.00 C ATOM 971 O GLN A 61 -0.811 -17.029 -8.392 1.00 0.00 O ATOM 972 CB GLN A 61 -0.259 -19.777 -9.969 1.00 0.00 C ATOM 973 CG GLN A 61 -1.565 -20.551 -9.879 1.00 0.00 C ATOM 974 CD GLN A 61 -1.739 -21.535 -11.019 1.00 0.00 C ATOM 975 OE1 GLN A 61 -0.829 -22.302 -11.338 1.00 0.00 O ATOM 976 NE2 GLN A 61 -2.911 -21.519 -11.642 1.00 0.00 N ATOM 0 H GLN A 61 0.050 -21.162 -7.925 1.00 0.00 H new ATOM 0 HA GLN A 61 1.127 -18.642 -8.781 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.375 -18.967 -10.689 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.519 -20.437 -10.354 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.600 -21.089 -8.931 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.399 -19.850 -9.879 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.637 -20.867 -11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.085 -22.158 -12.417 1.00 0.00 H new ATOM 985 N GLU A 62 -1.793 -18.745 -7.319 1.00 0.00 N ATOM 986 CA GLU A 62 -2.853 -17.919 -6.751 1.00 0.00 C ATOM 987 C GLU A 62 -2.278 -16.876 -5.802 1.00 0.00 C ATOM 988 O GLU A 62 -2.568 -15.686 -5.922 1.00 0.00 O ATOM 989 CB GLU A 62 -3.870 -18.792 -6.016 1.00 0.00 C ATOM 990 CG GLU A 62 -4.834 -19.516 -6.942 1.00 0.00 C ATOM 991 CD GLU A 62 -6.118 -19.921 -6.246 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.133 -20.992 -5.604 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.109 -19.167 -6.344 1.00 0.00 O ATOM 0 H GLU A 62 -1.844 -19.732 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.355 -17.402 -7.569 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.337 -19.527 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.440 -18.169 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.072 -18.872 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.347 -20.405 -7.344 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.457 -17.328 -4.859 1.00 0.00 N ATOM 1001 CA ARG A 63 -0.839 -16.433 -3.894 1.00 0.00 C ATOM 1002 C ARG A 63 0.016 -15.387 -4.601 1.00 0.00 C ATOM 1003 O ARG A 63 0.109 -14.243 -4.158 1.00 0.00 O ATOM 1004 CB ARG A 63 0.015 -17.231 -2.909 1.00 0.00 C ATOM 1005 CG ARG A 63 0.930 -18.243 -3.579 1.00 0.00 C ATOM 1006 CD ARG A 63 1.991 -18.755 -2.618 1.00 0.00 C ATOM 1007 NE ARG A 63 1.416 -19.565 -1.548 1.00 0.00 N ATOM 1008 CZ ARG A 63 2.137 -20.162 -0.601 1.00 0.00 C ATOM 1009 NH1 ARG A 63 3.459 -20.043 -0.589 1.00 0.00 N ATOM 1010 NH2 ARG A 63 1.534 -20.881 0.336 1.00 0.00 N ATOM 0 H ARG A 63 -1.206 -18.310 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.628 -15.920 -3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.620 -16.540 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.641 -17.752 -2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.339 -19.080 -3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.411 -17.785 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.722 -19.347 -3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.526 -17.910 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 63 0.403 -19.680 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.928 -19.492 -1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.006 -20.503 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.518 -20.976 0.331 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.086 -21.339 1.062 1.00 0.00 H new ATOM 1024 N ASP A 64 0.636 -15.790 -5.706 1.00 0.00 N ATOM 1025 CA ASP A 64 1.480 -14.887 -6.479 1.00 0.00 C ATOM 1026 C ASP A 64 0.637 -13.846 -7.207 1.00 0.00 C ATOM 1027 O ASP A 64 1.037 -12.689 -7.336 1.00 0.00 O ATOM 1028 CB ASP A 64 2.318 -15.678 -7.486 1.00 0.00 C ATOM 1029 CG ASP A 64 3.696 -15.080 -7.688 1.00 0.00 C ATOM 1030 OD1 ASP A 64 3.812 -14.096 -8.449 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.661 -15.594 -7.083 1.00 0.00 O ATOM 0 H ASP A 64 0.570 -16.735 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 64 2.146 -14.370 -5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.419 -16.707 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.796 -15.711 -8.442 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.531 -14.266 -7.683 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.431 -13.370 -8.400 1.00 0.00 C ATOM 1038 C LYS A 65 -2.101 -12.386 -7.447 1.00 0.00 C ATOM 1039 O LYS A 65 -2.355 -11.235 -7.804 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.493 -14.176 -9.152 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.784 -13.646 -10.547 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.051 -12.808 -10.573 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.738 -11.323 -10.506 1.00 0.00 C ATOM 1044 NZ LYS A 65 -4.661 -10.521 -11.356 1.00 0.00 N ATOM 0 H LYS A 65 -0.876 -15.221 -7.585 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.839 -12.801 -9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.165 -15.213 -9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.416 -14.175 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.942 -13.045 -10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.885 -14.481 -11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.611 -13.022 -11.483 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.689 -13.085 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.809 -10.983 -9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.710 -11.154 -10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.414 -9.514 -11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.575 -10.827 -12.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.640 -10.662 -11.034 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.389 -12.845 -6.233 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.032 -12.005 -5.230 1.00 0.00 C ATOM 1060 C ALA A 66 -2.057 -10.975 -4.668 1.00 0.00 C ATOM 1061 O ALA A 66 -2.425 -9.827 -4.424 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.600 -12.862 -4.110 1.00 0.00 C ATOM 0 H ALA A 66 -2.187 -13.795 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.849 -11.468 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.077 -12.222 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.336 -13.554 -4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.795 -13.425 -3.639 1.00 0.00 H new ATOM 1068 N LEU A 67 -0.814 -11.396 -4.462 1.00 0.00 N ATOM 1069 CA LEU A 67 0.213 -10.512 -3.926 1.00 0.00 C ATOM 1070 C LEU A 67 0.706 -9.536 -4.989 1.00 0.00 C ATOM 1071 O LEU A 67 1.093 -8.409 -4.679 1.00 0.00 O ATOM 1072 CB LEU A 67 1.379 -11.332 -3.380 1.00 0.00 C ATOM 1073 CG LEU A 67 1.726 -11.068 -1.915 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.946 -9.581 -1.677 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.627 -11.599 -1.006 1.00 0.00 C ATOM 0 H LEU A 67 -0.494 -12.344 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.226 -9.933 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.145 -12.390 -3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.261 -11.131 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 67 2.652 -11.592 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.192 -9.413 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.766 -9.230 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.037 -9.034 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.889 -11.403 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.313 -11.102 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.517 -12.673 -1.157 1.00 0.00 H new ATOM 1087 N GLN A 68 0.691 -9.977 -6.242 1.00 0.00 N ATOM 1088 CA GLN A 68 1.138 -9.144 -7.352 1.00 0.00 C ATOM 1089 C GLN A 68 0.207 -7.952 -7.551 1.00 0.00 C ATOM 1090 O GLN A 68 0.649 -6.861 -7.910 1.00 0.00 O ATOM 1091 CB GLN A 68 1.212 -9.969 -8.638 1.00 0.00 C ATOM 1092 CG GLN A 68 2.557 -10.641 -8.853 1.00 0.00 C ATOM 1093 CD GLN A 68 2.658 -11.327 -10.202 1.00 0.00 C ATOM 1094 OE1 GLN A 68 2.082 -12.394 -10.413 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.392 -10.715 -11.124 1.00 0.00 N ATOM 0 H GLN A 68 0.374 -10.907 -6.514 1.00 0.00 H new ATOM 0 HA GLN A 68 2.132 -8.767 -7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.434 -10.732 -8.616 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.999 -9.321 -9.488 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.349 -9.896 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.723 -11.374 -8.064 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.852 -9.831 -10.906 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.496 -11.129 -12.051 1.00 0.00 H new ATOM 1104 N GLU A 69 -1.084 -8.168 -7.320 1.00 0.00 N ATOM 1105 CA GLU A 69 -2.075 -7.110 -7.476 1.00 0.00 C ATOM 1106 C GLU A 69 -2.000 -6.118 -6.326 1.00 0.00 C ATOM 1107 O GLU A 69 -2.291 -4.934 -6.495 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.482 -7.699 -7.575 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.567 -6.655 -7.784 1.00 0.00 C ATOM 1110 CD GLU A 69 -5.045 -6.591 -9.221 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -4.191 -6.508 -10.129 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -6.275 -6.623 -9.439 1.00 0.00 O ATOM 0 H GLU A 69 -1.468 -9.066 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.853 -6.579 -8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.511 -8.411 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.698 -8.257 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.412 -6.880 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.187 -5.677 -7.487 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.593 -6.602 -5.161 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.463 -5.751 -3.987 1.00 0.00 C ATOM 1121 C LEU A 70 -0.620 -4.525 -4.319 1.00 0.00 C ATOM 1122 O LEU A 70 -0.794 -3.457 -3.730 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.831 -6.530 -2.831 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.451 -6.266 -1.458 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.346 -7.501 -0.578 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.778 -5.075 -0.790 1.00 0.00 C ATOM 0 H LEU A 70 -1.347 -7.579 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.457 -5.423 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.905 -7.596 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.231 -6.287 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.507 -6.032 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.792 -7.294 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.873 -8.330 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.297 -7.766 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.231 -4.901 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.285 -5.281 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.905 -4.189 -1.412 1.00 0.00 H new ATOM 1138 N ARG A 71 0.298 -4.690 -5.268 1.00 0.00 N ATOM 1139 CA ARG A 71 1.174 -3.601 -5.684 1.00 0.00 C ATOM 1140 C ARG A 71 0.390 -2.520 -6.422 1.00 0.00 C ATOM 1141 O ARG A 71 0.667 -1.330 -6.276 1.00 0.00 O ATOM 1142 CB ARG A 71 2.296 -4.136 -6.577 1.00 0.00 C ATOM 1143 CG ARG A 71 3.597 -4.387 -5.833 1.00 0.00 C ATOM 1144 CD ARG A 71 4.803 -4.210 -6.742 1.00 0.00 C ATOM 1145 NE ARG A 71 5.885 -3.483 -6.081 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.882 -2.886 -6.731 1.00 0.00 C ATOM 1147 NH1 ARG A 71 6.940 -2.929 -8.057 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.824 -2.245 -6.053 1.00 0.00 N ATOM 0 H ARG A 71 0.454 -5.568 -5.763 1.00 0.00 H new ATOM 0 HA ARG A 71 1.611 -3.157 -4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.967 -5.066 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.479 -3.425 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.673 -3.701 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.594 -5.397 -5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.164 -5.188 -7.059 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.503 -3.674 -7.642 1.00 0.00 H new ATOM 0 HE ARG A 71 5.876 -3.430 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.218 -3.421 -8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.706 -2.470 -8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.785 -2.210 -5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.588 -1.787 -6.550 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.588 -2.944 -7.216 1.00 0.00 N ATOM 1163 CA GLN A 72 -1.411 -2.012 -7.980 1.00 0.00 C ATOM 1164 C GLN A 72 -2.153 -1.053 -7.054 1.00 0.00 C ATOM 1165 O GLN A 72 -2.130 0.161 -7.255 1.00 0.00 O ATOM 1166 CB GLN A 72 -2.411 -2.776 -8.849 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.764 -3.818 -9.747 1.00 0.00 C ATOM 1168 CD GLN A 72 -2.351 -3.828 -11.145 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -1.824 -2.972 -12.014 1.00 0.00 O flip ATOM 1170 NE2 GLN A 72 -3.267 -4.595 -11.441 1.00 0.00 N flip ATOM 0 H GLN A 72 -0.830 -3.926 -7.347 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.752 -1.429 -8.623 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.140 -3.266 -8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.960 -2.066 -9.467 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.693 -3.625 -9.808 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.885 -4.804 -9.299 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.642 -5.236 -10.742 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.652 -4.590 -12.386 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.810 -1.606 -6.040 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.559 -0.799 -5.085 1.00 0.00 C ATOM 1181 C GLU A 73 -2.643 0.186 -4.367 1.00 0.00 C ATOM 1182 O GLU A 73 -2.951 1.374 -4.264 1.00 0.00 O ATOM 1183 CB GLU A 73 -4.260 -1.698 -4.064 1.00 0.00 C ATOM 1184 CG GLU A 73 -5.181 -2.730 -4.693 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.494 -2.131 -5.159 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -6.471 -1.016 -5.722 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.544 -2.778 -4.961 1.00 0.00 O ATOM 0 H GLU A 73 -2.839 -2.609 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.310 -0.233 -5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.507 -2.212 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.838 -1.076 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.676 -3.194 -5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.383 -3.521 -3.970 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.515 -0.314 -3.875 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.552 0.522 -3.167 1.00 0.00 C ATOM 1196 C LEU A 74 0.125 1.502 -4.120 1.00 0.00 C ATOM 1197 O LEU A 74 0.473 2.618 -3.735 1.00 0.00 O ATOM 1198 CB LEU A 74 0.500 -0.347 -2.477 1.00 0.00 C ATOM 1199 CG LEU A 74 -0.034 -1.245 -1.359 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.080 -2.114 -0.794 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.667 -0.405 -0.260 1.00 0.00 C ATOM 0 H LEU A 74 -1.245 -1.294 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.092 1.094 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.980 -0.974 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.271 0.303 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.799 -1.899 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.682 -2.746 -0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.489 -2.741 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.868 -1.478 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.042 -1.059 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.079 0.273 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.492 0.174 -0.674 1.00 0.00 H new ATOM 1213 N ASN A 75 0.312 1.076 -5.365 1.00 0.00 N ATOM 1214 CA ASN A 75 0.951 1.917 -6.373 1.00 0.00 C ATOM 1215 C ASN A 75 0.175 3.216 -6.571 1.00 0.00 C ATOM 1216 O ASN A 75 0.749 4.304 -6.535 1.00 0.00 O ATOM 1217 CB ASN A 75 1.059 1.165 -7.701 1.00 0.00 C ATOM 1218 CG ASN A 75 1.775 1.972 -8.766 1.00 0.00 C ATOM 1219 OD1 ASN A 75 1.223 2.924 -9.318 1.00 0.00 O ATOM 1220 ND2 ASN A 75 3.013 1.593 -9.063 1.00 0.00 N ATOM 0 H ASN A 75 0.031 0.155 -5.701 1.00 0.00 H new ATOM 0 HA ASN A 75 1.953 2.164 -6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.590 0.227 -7.542 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.060 0.910 -8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.544 2.097 -9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.432 0.798 -8.581 1.00 0.00 H new ATOM 1227 N THR A 76 -1.131 3.094 -6.780 1.00 0.00 N ATOM 1228 CA THR A 76 -1.984 4.254 -6.985 1.00 0.00 C ATOM 1229 C THR A 76 -2.258 4.978 -5.676 1.00 0.00 C ATOM 1230 O THR A 76 -2.333 6.203 -5.643 1.00 0.00 O ATOM 1231 CB THR A 76 -3.304 3.857 -7.618 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.723 2.584 -7.158 1.00 0.00 O ATOM 1233 CG2 THR A 76 -3.263 3.817 -9.130 1.00 0.00 C ATOM 0 H THR A 76 -1.621 2.200 -6.812 1.00 0.00 H new ATOM 0 HA THR A 76 -1.450 4.925 -7.658 1.00 0.00 H new ATOM 0 HB THR A 76 -4.008 4.633 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.577 2.349 -7.578 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.241 3.526 -9.513 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.002 4.804 -9.513 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.516 3.093 -9.455 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.424 4.217 -4.597 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.701 4.807 -3.293 1.00 0.00 C ATOM 1243 C LEU A 77 -1.693 5.911 -3.004 1.00 0.00 C ATOM 1244 O LEU A 77 -1.996 6.887 -2.317 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.644 3.741 -2.198 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.970 3.034 -1.912 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.723 1.650 -1.332 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.823 3.866 -0.967 1.00 0.00 C ATOM 0 H LEU A 77 -2.372 3.198 -4.600 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.705 5.232 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.904 2.992 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.292 4.206 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.510 2.920 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.678 1.162 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.151 1.054 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.163 1.740 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.763 3.349 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.289 4.011 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.029 4.835 -1.421 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.498 5.754 -3.560 1.00 0.00 N ATOM 1261 CA ALA A 78 0.560 6.737 -3.402 1.00 0.00 C ATOM 1262 C ALA A 78 0.254 8.004 -4.201 1.00 0.00 C ATOM 1263 O ALA A 78 0.702 9.093 -3.842 1.00 0.00 O ATOM 1264 CB ALA A 78 1.894 6.148 -3.831 1.00 0.00 C ATOM 0 H ALA A 78 -0.239 4.948 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 78 0.619 7.009 -2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.678 6.895 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.122 5.278 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.840 5.848 -4.878 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.495 7.858 -5.302 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.831 9.001 -6.152 1.00 0.00 C ATOM 1272 C ASN A 79 -1.385 10.176 -5.340 1.00 0.00 C ATOM 1273 O ASN A 79 -0.867 11.288 -5.421 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.843 8.587 -7.222 1.00 0.00 C ATOM 1275 CG ASN A 79 -1.567 9.242 -8.561 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.835 10.428 -8.752 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -1.029 8.470 -9.499 1.00 0.00 N ATOM 0 H ASN A 79 -0.875 6.967 -5.621 1.00 0.00 H new ATOM 0 HA ASN A 79 0.091 9.332 -6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.821 7.504 -7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.847 8.852 -6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.822 8.856 -10.420 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.823 7.492 -9.298 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.445 9.949 -4.542 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.050 11.006 -3.722 1.00 0.00 C ATOM 1286 C PRO A 80 -2.115 11.490 -2.620 1.00 0.00 C ATOM 1287 O PRO A 80 -2.098 12.674 -2.281 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.287 10.334 -3.119 1.00 0.00 C ATOM 1289 CG PRO A 80 -3.983 8.878 -3.152 1.00 0.00 C ATOM 1290 CD PRO A 80 -3.140 8.661 -4.377 1.00 0.00 C ATOM 0 HA PRO A 80 -3.280 11.894 -4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.467 10.678 -2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.183 10.564 -3.696 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.451 8.570 -2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.899 8.289 -3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.437 7.839 -4.241 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.750 8.418 -5.247 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.337 10.567 -2.064 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.398 10.899 -0.999 1.00 0.00 C ATOM 1300 C PHE A 81 0.728 11.786 -1.521 1.00 0.00 C ATOM 1301 O PHE A 81 1.027 12.830 -0.942 1.00 0.00 O ATOM 1302 CB PHE A 81 0.184 9.622 -0.388 1.00 0.00 C ATOM 1303 CG PHE A 81 1.128 9.878 0.752 1.00 0.00 C ATOM 1304 CD1 PHE A 81 0.723 10.618 1.851 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.419 9.377 0.725 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.590 10.855 2.902 1.00 0.00 C ATOM 1307 CE2 PHE A 81 3.290 9.610 1.773 1.00 0.00 C ATOM 1308 CZ PHE A 81 2.875 10.350 2.862 1.00 0.00 C ATOM 0 H PHE A 81 -1.338 9.583 -2.333 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.940 11.448 -0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.633 8.991 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.707 9.064 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.281 11.014 1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.749 8.798 -0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.263 11.434 3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.294 9.214 1.740 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.554 10.534 3.681 1.00 0.00 H new ATOM 1318 N LEU A 82 1.347 11.362 -2.618 1.00 0.00 N ATOM 1319 CA LEU A 82 2.441 12.118 -3.217 1.00 0.00 C ATOM 1320 C LEU A 82 1.926 13.399 -3.867 1.00 0.00 C ATOM 1321 O LEU A 82 2.521 14.466 -3.717 1.00 0.00 O ATOM 1322 CB LEU A 82 3.169 11.264 -4.257 1.00 0.00 C ATOM 1323 CG LEU A 82 4.284 10.376 -3.700 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.585 9.233 -4.655 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.537 11.198 -3.437 1.00 0.00 C ATOM 0 H LEU A 82 1.110 10.500 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 82 3.139 12.388 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.439 10.631 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.594 11.924 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 82 3.946 9.951 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.380 8.613 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.688 8.629 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.902 9.636 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.320 10.551 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.877 11.651 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.313 11.981 -2.713 1.00 0.00 H new ATOM 1337 N ALA A 83 0.815 13.286 -4.588 1.00 0.00 N ATOM 1338 CA ALA A 83 0.221 14.434 -5.260 1.00 0.00 C ATOM 1339 C ALA A 83 -0.151 15.525 -4.261 1.00 0.00 C ATOM 1340 O ALA A 83 0.015 16.713 -4.533 1.00 0.00 O ATOM 1341 CB ALA A 83 -1.003 14.004 -6.054 1.00 0.00 C ATOM 0 H ALA A 83 0.309 12.411 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 83 0.961 14.845 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.437 14.871 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.711 13.266 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.739 13.566 -5.380 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.654 15.111 -3.102 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.049 16.052 -2.061 1.00 0.00 C ATOM 1349 C LYS A 84 0.175 16.648 -1.373 1.00 0.00 C ATOM 1350 O LYS A 84 0.243 17.855 -1.143 1.00 0.00 O ATOM 1351 CB LYS A 84 -1.941 15.359 -1.029 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.401 15.278 -1.445 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.324 15.261 -0.237 1.00 0.00 C ATOM 1354 CE LYS A 84 -5.741 15.662 -0.612 1.00 0.00 C ATOM 1355 NZ LYS A 84 -6.758 14.874 0.138 1.00 0.00 N ATOM 0 H LYS A 84 -0.797 14.130 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.609 16.860 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.565 14.351 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.871 15.894 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.647 16.129 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.562 14.379 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.331 14.263 0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.942 15.942 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.883 16.724 -0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.888 15.518 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.711 15.178 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.639 13.863 -0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.635 15.031 1.159 1.00 0.00 H new ATOM 1369 N TYR A 85 1.139 15.793 -1.046 1.00 0.00 N ATOM 1370 CA TYR A 85 2.361 16.236 -0.383 1.00 0.00 C ATOM 1371 C TYR A 85 3.104 17.258 -1.237 1.00 0.00 C ATOM 1372 O TYR A 85 3.518 18.309 -0.747 1.00 0.00 O ATOM 1373 CB TYR A 85 3.268 15.038 -0.089 1.00 0.00 C ATOM 1374 CG TYR A 85 3.635 14.901 1.371 1.00 0.00 C ATOM 1375 CD1 TYR A 85 4.642 15.677 1.929 1.00 0.00 C ATOM 1376 CD2 TYR A 85 2.974 13.996 2.192 1.00 0.00 C ATOM 1377 CE1 TYR A 85 4.982 15.555 3.263 1.00 0.00 C ATOM 1378 CE2 TYR A 85 3.307 13.868 3.527 1.00 0.00 C ATOM 1379 CZ TYR A 85 4.311 14.650 4.058 1.00 0.00 C ATOM 1380 OH TYR A 85 4.645 14.525 5.386 1.00 0.00 O ATOM 0 H TYR A 85 1.098 14.790 -1.229 1.00 0.00 H new ATOM 0 HA TYR A 85 2.084 16.712 0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.769 14.126 -0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.181 15.131 -0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.169 16.388 1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.187 13.382 1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.769 16.165 3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.784 13.159 4.151 1.00 0.00 H new ATOM 0 HH TYR A 85 4.076 13.845 5.804 1.00 0.00 H new ATOM 1390 N ARG A 86 3.272 16.943 -2.518 1.00 0.00 N ATOM 1391 CA ARG A 86 3.967 17.835 -3.440 1.00 0.00 C ATOM 1392 C ARG A 86 3.254 19.179 -3.539 1.00 0.00 C ATOM 1393 O ARG A 86 3.892 20.225 -3.647 1.00 0.00 O ATOM 1394 CB ARG A 86 4.066 17.194 -4.825 1.00 0.00 C ATOM 1395 CG ARG A 86 5.316 16.352 -5.018 1.00 0.00 C ATOM 1396 CD ARG A 86 5.112 14.929 -4.521 1.00 0.00 C ATOM 1397 NE ARG A 86 6.314 14.115 -4.684 1.00 0.00 N ATOM 1398 CZ ARG A 86 6.719 13.617 -5.850 1.00 0.00 C ATOM 1399 NH1 ARG A 86 6.023 13.847 -6.957 1.00 0.00 N ATOM 1400 NH2 ARG A 86 7.824 12.886 -5.911 1.00 0.00 N ATOM 0 H ARG A 86 2.937 16.077 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 86 4.972 18.005 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.188 16.569 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.046 17.979 -5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.585 16.335 -6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.150 16.809 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.828 14.950 -3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.287 14.470 -5.065 1.00 0.00 H new ATOM 0 HE ARG A 86 6.876 13.917 -3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.172 14.408 -6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.339 13.462 -7.847 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.363 12.705 -5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.134 12.504 -6.805 1.00 0.00 H new ATOM 1414 N ASP A 87 1.925 19.143 -3.500 1.00 0.00 N ATOM 1415 CA ASP A 87 1.125 20.360 -3.586 1.00 0.00 C ATOM 1416 C ASP A 87 1.103 21.092 -2.248 1.00 0.00 C ATOM 1417 O ASP A 87 1.018 22.319 -2.203 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.303 20.026 -4.021 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.468 20.049 -5.528 1.00 0.00 C ATOM 1420 OD1 ASP A 87 -0.187 21.102 -6.139 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -0.878 19.016 -6.096 1.00 0.00 O ATOM 0 H ASP A 87 1.380 18.285 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 87 1.581 21.013 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.574 19.040 -3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.993 20.740 -3.572 1.00 0.00 H new ATOM 1426 N PHE A 88 1.180 20.332 -1.161 1.00 0.00 N ATOM 1427 CA PHE A 88 1.168 20.910 0.178 1.00 0.00 C ATOM 1428 C PHE A 88 2.395 21.787 0.403 1.00 0.00 C ATOM 1429 O PHE A 88 2.296 22.877 0.968 1.00 0.00 O ATOM 1430 CB PHE A 88 1.117 19.803 1.233 1.00 0.00 C ATOM 1431 CG PHE A 88 0.247 20.137 2.411 1.00 0.00 C ATOM 1432 CD1 PHE A 88 0.491 21.270 3.171 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -0.816 19.319 2.759 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -0.307 21.580 4.255 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -1.619 19.624 3.842 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.364 20.757 4.590 1.00 0.00 C ATOM 0 H PHE A 88 1.251 19.315 -1.181 1.00 0.00 H new ATOM 0 HA PHE A 88 0.278 21.532 0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.751 18.887 0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.129 19.600 1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.315 21.918 2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.020 18.432 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.104 22.465 4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.444 18.978 4.103 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.991 20.999 5.436 1.00 0.00 H new ATOM 1446 N LEU A 89 3.551 21.305 -0.042 1.00 0.00 N ATOM 1447 CA LEU A 89 4.798 22.047 0.111 1.00 0.00 C ATOM 1448 C LEU A 89 5.549 22.130 -1.215 1.00 0.00 C ATOM 1449 O LEU A 89 5.550 23.169 -1.874 1.00 0.00 O ATOM 1450 CB LEU A 89 5.686 21.392 1.175 1.00 0.00 C ATOM 1451 CG LEU A 89 5.495 19.882 1.348 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.833 19.196 1.580 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.541 19.595 2.498 1.00 0.00 C ATOM 0 H LEU A 89 3.650 20.405 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 89 4.549 23.059 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.729 21.583 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.496 21.878 2.132 1.00 0.00 H new ATOM 0 HG LEU A 89 5.060 19.483 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.676 18.124 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.486 19.373 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.297 19.598 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.416 18.518 2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.948 20.009 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.574 20.053 2.291 1.00 0.00 H new ATOM 1465 N LYS A 90 6.186 21.028 -1.600 1.00 0.00 N ATOM 1466 CA LYS A 90 6.938 20.979 -2.849 1.00 0.00 C ATOM 1467 C LYS A 90 6.826 19.603 -3.498 1.00 0.00 C ATOM 1468 O LYS A 90 6.369 19.534 -4.658 1.00 0.00 O ATOM 1469 CB LYS A 90 8.409 21.317 -2.595 1.00 0.00 C ATOM 1470 CG LYS A 90 9.095 21.975 -3.780 1.00 0.00 C ATOM 1471 CD LYS A 90 10.596 21.736 -3.758 1.00 0.00 C ATOM 1472 CE LYS A 90 10.971 20.482 -4.532 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.220 20.770 -5.972 1.00 0.00 N ATOM 1474 OXT LYS A 90 7.199 18.608 -2.842 1.00 1.00 O ATOM 0 H LYS A 90 6.196 20.159 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 90 6.514 21.717 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.477 21.980 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.944 20.403 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.677 21.583 -4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.896 23.047 -3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.109 22.597 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.936 21.644 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.863 20.037 -4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.171 19.747 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.473 19.889 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.361 21.171 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.001 21.452 -6.060 1.00 0.00 H new TER 1488 LYS A 90