USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 730 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0281 K(o=-0.028,f=-0.74) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.224 USER MOD Single : A 21 LYS NZ :NH3+ 128:sc= 1.26 (180deg=-0.51) USER MOD Single : A 22 LYS NZ :NH3+ -113:sc= 0.177 (180deg=0.024) USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 0.599 (180deg=0.591) USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= 1.1 (180deg=1.03) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 26:sc= 1.23 USER MOD Single : A 47 MET CE :methyl 176:sc= -1.35 (180deg=-1.48) USER MOD Single : A 53 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 55 LYS NZ :NH3+ 137:sc= -0.447 (180deg=-2.56!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 29:sc= 1.25 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0102 USER MOD Single : A 69 THR OG1 : rot 93:sc= 1.2 USER MOD Single : A 71 ASN : amide:sc= -0.0226 K(o=-0.023,f=-0.86) USER MOD Single : A 76 MET CE :methyl 170:sc= -1.79 (180deg=-1.9) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -177:sc= -0.234 (180deg=-0.304) USER MOD Single : A 84 GLN : amide:sc= -0.0693 X(o=-0.069,f=-0.37) USER MOD Single : A 86 GLN : amide:sc= -0.0149 K(o=-0.015,f=-0.67) USER MOD Single : A 89 THR OG1 : rot 76:sc= 0.993 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.520 14.468 4.699 1.00 1.00 N ATOM 2 CA MET A 1 -6.884 13.933 4.824 1.00 1.00 C ATOM 3 C MET A 1 -7.606 14.189 3.512 1.00 1.00 C ATOM 4 O MET A 1 -7.630 15.327 3.041 1.00 1.00 O ATOM 5 CB MET A 1 -7.596 14.576 6.023 1.00 1.00 C ATOM 6 CG MET A 1 -8.874 13.839 6.424 1.00 1.00 C ATOM 7 SD MET A 1 -9.699 14.554 7.868 1.00 1.00 S ATOM 8 CE MET A 1 -10.919 13.249 8.175 1.00 1.00 C ATOM 0 H1 MET A 1 -5.001 14.306 5.586 1.00 1.00 H new ATOM 0 H2 MET A 1 -5.029 13.988 3.918 1.00 1.00 H new ATOM 0 H3 MET A 1 -5.564 15.489 4.505 1.00 1.00 H new ATOM 0 HA MET A 1 -6.871 12.860 5.013 1.00 1.00 H new ATOM 0 HB2 MET A 1 -6.915 14.599 6.873 1.00 1.00 H new ATOM 0 HB3 MET A 1 -7.840 15.610 5.782 1.00 1.00 H new ATOM 0 HG2 MET A 1 -9.566 13.843 5.582 1.00 1.00 H new ATOM 0 HG3 MET A 1 -8.632 12.797 6.633 1.00 1.00 H new ATOM 0 HE1 MET A 1 -11.528 13.516 9.039 1.00 1.00 H new ATOM 0 HE2 MET A 1 -11.560 13.137 7.300 1.00 1.00 H new ATOM 0 HE3 MET A 1 -10.404 12.308 8.371 1.00 1.00 H new ATOM 20 N GLY A 2 -8.142 13.148 2.881 1.00 1.00 N ATOM 21 CA GLY A 2 -8.778 13.223 1.576 1.00 1.00 C ATOM 22 C GLY A 2 -9.079 11.820 1.057 1.00 1.00 C ATOM 23 O GLY A 2 -8.588 10.852 1.623 1.00 1.00 O ATOM 0 H GLY A 2 -8.144 12.207 3.276 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -9.701 13.799 1.645 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -8.127 13.746 0.875 1.00 1.00 H new ATOM 27 N ARG A 3 -9.836 11.696 -0.034 1.00 1.00 N ATOM 28 CA ARG A 3 -10.314 10.435 -0.619 1.00 1.00 C ATOM 29 C ARG A 3 -9.222 9.397 -0.815 1.00 1.00 C ATOM 30 O ARG A 3 -9.477 8.233 -0.518 1.00 1.00 O ATOM 31 CB ARG A 3 -11.062 10.726 -1.929 1.00 1.00 C ATOM 32 CG ARG A 3 -12.367 11.462 -1.606 1.00 1.00 C ATOM 33 CD ARG A 3 -13.137 11.881 -2.849 1.00 1.00 C ATOM 34 NE ARG A 3 -14.376 12.565 -2.457 1.00 1.00 N ATOM 35 CZ ARG A 3 -15.602 12.032 -2.420 1.00 1.00 C ATOM 36 NH1 ARG A 3 -15.835 10.818 -2.901 1.00 1.00 N ATOM 37 NH2 ARG A 3 -16.612 12.712 -1.890 1.00 1.00 N ATOM 0 H ARG A 3 -10.150 12.510 -0.562 1.00 1.00 H new ATOM 0 HA ARG A 3 -11.000 9.987 0.100 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -10.442 11.332 -2.590 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.275 9.796 -2.456 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.999 10.818 -0.994 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -12.141 12.346 -1.010 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -12.524 12.541 -3.463 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -13.370 11.006 -3.456 1.00 1.00 H new ATOM 0 HE ARG A 3 -14.293 13.545 -2.186 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -15.073 10.275 -3.307 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -16.776 10.427 -2.865 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -16.454 13.645 -1.509 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -17.545 12.301 -1.864 1.00 1.00 H new ATOM 51 N ALA A 4 -8.021 9.783 -1.252 1.00 1.00 N ATOM 52 CA ALA A 4 -6.912 8.833 -1.347 1.00 1.00 C ATOM 53 C ALA A 4 -6.641 8.219 0.021 1.00 1.00 C ATOM 54 O ALA A 4 -6.520 7.009 0.160 1.00 1.00 O ATOM 55 CB ALA A 4 -5.659 9.541 -1.869 1.00 1.00 C ATOM 0 H ALA A 4 -7.794 10.734 -1.542 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.179 8.039 -2.044 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.839 8.826 -1.936 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.861 9.956 -2.856 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.384 10.345 -1.186 1.00 1.00 H new ATOM 61 N ARG A 5 -6.530 9.053 1.050 1.00 1.00 N ATOM 62 CA ARG A 5 -6.209 8.610 2.397 1.00 1.00 C ATOM 63 C ARG A 5 -7.396 7.929 3.064 1.00 1.00 C ATOM 64 O ARG A 5 -7.178 7.041 3.878 1.00 1.00 O ATOM 65 CB ARG A 5 -5.736 9.798 3.228 1.00 1.00 C ATOM 66 CG ARG A 5 -4.518 10.488 2.625 1.00 1.00 C ATOM 67 CD ARG A 5 -3.880 11.313 3.742 1.00 1.00 C ATOM 68 NE ARG A 5 -2.983 12.334 3.209 1.00 1.00 N ATOM 69 CZ ARG A 5 -1.891 12.818 3.807 1.00 1.00 C ATOM 70 NH1 ARG A 5 -1.575 12.462 5.047 1.00 1.00 N ATOM 71 NH2 ARG A 5 -1.122 13.682 3.159 1.00 1.00 N ATOM 0 H ARG A 5 -6.662 10.061 0.969 1.00 1.00 H new ATOM 0 HA ARG A 5 -5.409 7.873 2.331 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.549 10.519 3.320 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.495 9.459 4.235 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -3.812 9.755 2.234 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -4.809 11.126 1.791 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -4.661 11.788 4.336 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -3.326 10.654 4.411 1.00 1.00 H new ATOM 0 HE ARG A 5 -3.212 12.715 2.291 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.170 11.809 5.558 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -0.737 12.841 5.489 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -1.366 13.972 2.212 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -0.286 14.057 3.607 1.00 1.00 H new ATOM 85 N ASP A 6 -8.629 8.311 2.745 1.00 1.00 N ATOM 86 CA ASP A 6 -9.822 7.649 3.252 1.00 1.00 C ATOM 87 C ASP A 6 -9.758 6.202 2.774 1.00 1.00 C ATOM 88 O ASP A 6 -9.830 5.274 3.576 1.00 1.00 O ATOM 89 CB ASP A 6 -11.112 8.294 2.711 1.00 1.00 C ATOM 90 CG ASP A 6 -11.506 9.643 3.312 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.648 10.395 3.825 1.00 1.00 O ATOM 92 OD2 ASP A 6 -12.697 10.015 3.190 1.00 1.00 O ATOM 0 H ASP A 6 -8.828 9.094 2.123 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.848 7.730 4.339 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -11.004 8.419 1.634 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.934 7.597 2.870 1.00 1.00 H new ATOM 97 N ALA A 7 -9.572 6.031 1.464 1.00 1.00 N ATOM 98 CA ALA A 7 -9.581 4.759 0.775 1.00 1.00 C ATOM 99 C ALA A 7 -8.378 3.881 1.128 1.00 1.00 C ATOM 100 O ALA A 7 -8.569 2.691 1.376 1.00 1.00 O ATOM 101 CB ALA A 7 -9.657 5.053 -0.726 1.00 1.00 C ATOM 0 H ALA A 7 -9.404 6.816 0.835 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.447 4.179 1.094 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.666 4.115 -1.281 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.568 5.611 -0.942 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.791 5.643 -1.025 1.00 1.00 H new ATOM 107 N ILE A 8 -7.153 4.422 1.146 1.00 1.00 N ATOM 108 CA ILE A 8 -5.967 3.654 1.537 1.00 1.00 C ATOM 109 C ILE A 8 -6.163 3.213 2.990 1.00 1.00 C ATOM 110 O ILE A 8 -5.985 2.031 3.258 1.00 1.00 O ATOM 111 CB ILE A 8 -4.641 4.424 1.280 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.463 4.727 -0.230 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.385 3.693 1.780 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.554 5.934 -0.493 1.00 1.00 C ATOM 0 H ILE A 8 -6.959 5.391 0.893 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.865 2.768 0.910 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.735 5.346 1.854 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -4.046 3.850 -0.725 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.440 4.910 -0.676 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.503 4.295 1.563 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.460 3.534 2.856 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.300 2.730 1.276 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.467 6.097 -1.567 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.982 6.821 -0.025 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.566 5.743 -0.074 1.00 1.00 H new ATOM 126 N LEU A 9 -6.597 4.093 3.906 1.00 1.00 N ATOM 127 CA LEU A 9 -6.829 3.699 5.296 1.00 1.00 C ATOM 128 C LEU A 9 -7.824 2.555 5.345 1.00 1.00 C ATOM 129 O LEU A 9 -7.538 1.520 5.947 1.00 1.00 O ATOM 130 CB LEU A 9 -7.300 4.898 6.140 1.00 1.00 C ATOM 131 CG LEU A 9 -7.442 4.679 7.661 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.751 4.008 8.086 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.253 3.919 8.250 1.00 1.00 C ATOM 0 H LEU A 9 -6.792 5.074 3.707 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.889 3.355 5.728 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.600 5.718 5.981 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.266 5.224 5.754 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.461 5.688 8.072 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.766 3.893 9.170 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.594 4.625 7.775 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.826 3.027 7.616 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.399 3.790 9.322 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.174 2.942 7.774 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.337 4.483 8.074 1.00 1.00 H new ATOM 145 N ASP A 10 -8.964 2.727 4.676 1.00 1.00 N ATOM 146 CA ASP A 10 -10.027 1.732 4.665 1.00 1.00 C ATOM 147 C ASP A 10 -9.502 0.401 4.139 1.00 1.00 C ATOM 148 O ASP A 10 -9.905 -0.647 4.641 1.00 1.00 O ATOM 149 CB ASP A 10 -11.211 2.188 3.800 1.00 1.00 C ATOM 150 CG ASP A 10 -12.121 3.223 4.457 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.030 3.473 5.681 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.994 3.753 3.728 1.00 1.00 O ATOM 0 H ASP A 10 -9.173 3.561 4.128 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.373 1.610 5.691 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.824 2.603 2.869 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.808 1.315 3.536 1.00 1.00 H new ATOM 157 N ALA A 11 -8.615 0.421 3.141 1.00 1.00 N ATOM 158 CA ALA A 11 -8.020 -0.772 2.565 1.00 1.00 C ATOM 159 C ALA A 11 -7.019 -1.438 3.503 1.00 1.00 C ATOM 160 O ALA A 11 -7.104 -2.647 3.700 1.00 1.00 O ATOM 161 CB ALA A 11 -7.374 -0.444 1.220 1.00 1.00 C ATOM 0 H ALA A 11 -8.289 1.285 2.708 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.824 -1.491 2.407 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.932 -1.347 0.799 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -8.131 -0.058 0.537 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.598 0.308 1.363 1.00 1.00 H new ATOM 167 N LEU A 12 -6.077 -0.685 4.076 1.00 1.00 N ATOM 168 CA LEU A 12 -5.107 -1.240 5.019 1.00 1.00 C ATOM 169 C LEU A 12 -5.833 -1.848 6.224 1.00 1.00 C ATOM 170 O LEU A 12 -5.391 -2.856 6.763 1.00 1.00 O ATOM 171 CB LEU A 12 -4.040 -0.232 5.455 1.00 1.00 C ATOM 172 CG LEU A 12 -2.851 -0.007 4.526 1.00 1.00 C ATOM 173 CD1 LEU A 12 -1.902 -1.206 4.425 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.273 0.414 3.141 1.00 1.00 C ATOM 0 H LEU A 12 -5.967 0.314 3.902 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.566 -2.028 4.495 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.531 0.729 5.610 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.653 -0.552 6.423 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.300 0.808 4.996 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -1.084 -0.966 3.746 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.500 -1.436 5.412 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.447 -2.070 4.045 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.389 0.561 2.520 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -3.901 -0.361 2.701 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.834 1.346 3.199 1.00 1.00 H new ATOM 186 N GLU A 13 -6.941 -1.248 6.658 1.00 1.00 N ATOM 187 CA GLU A 13 -7.780 -1.789 7.717 1.00 1.00 C ATOM 188 C GLU A 13 -8.521 -3.036 7.228 1.00 1.00 C ATOM 189 O GLU A 13 -8.620 -4.013 7.968 1.00 1.00 O ATOM 190 CB GLU A 13 -8.776 -0.751 8.231 1.00 1.00 C ATOM 191 CG GLU A 13 -8.106 0.339 9.074 1.00 1.00 C ATOM 192 CD GLU A 13 -9.135 1.145 9.865 1.00 1.00 C ATOM 193 OE1 GLU A 13 -10.280 1.353 9.396 1.00 1.00 O ATOM 194 OE2 GLU A 13 -8.848 1.469 11.043 1.00 1.00 O ATOM 0 H GLU A 13 -7.281 -0.365 6.278 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.128 -2.065 8.546 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.284 -0.290 7.384 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.540 -1.250 8.828 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.393 -0.117 9.761 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -7.540 1.007 8.424 1.00 1.00 H new ATOM 201 N ASN A 14 -9.073 -3.014 6.010 1.00 1.00 N ATOM 202 CA ASN A 14 -9.712 -4.164 5.394 1.00 1.00 C ATOM 203 C ASN A 14 -8.735 -5.321 5.167 1.00 1.00 C ATOM 204 O ASN A 14 -9.199 -6.434 4.925 1.00 1.00 O ATOM 205 CB ASN A 14 -10.420 -3.777 4.081 1.00 1.00 C ATOM 206 CG ASN A 14 -11.802 -3.156 4.270 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.572 -3.591 5.124 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.204 -2.192 3.459 1.00 1.00 N ATOM 0 H ASN A 14 -9.084 -2.181 5.422 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.467 -4.515 6.097 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -9.790 -3.074 3.536 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.517 -4.667 3.458 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.148 -1.814 3.544 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.570 -1.826 2.748 1.00 1.00 H new ATOM 215 N LEU A 15 -7.417 -5.135 5.289 1.00 1.00 N ATOM 216 CA LEU A 15 -6.461 -6.228 5.187 1.00 1.00 C ATOM 217 C LEU A 15 -6.361 -6.931 6.540 1.00 1.00 C ATOM 218 O LEU A 15 -6.912 -6.474 7.545 1.00 1.00 O ATOM 219 CB LEU A 15 -5.080 -5.683 4.767 1.00 1.00 C ATOM 220 CG LEU A 15 -4.883 -5.330 3.281 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.385 -5.175 2.984 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.461 -6.410 2.360 1.00 1.00 C ATOM 0 H LEU A 15 -6.990 -4.225 5.460 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.797 -6.939 4.432 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.877 -4.789 5.356 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.328 -6.423 5.041 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.411 -4.396 3.090 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.247 -4.925 1.932 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -2.972 -4.379 3.603 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -2.871 -6.111 3.205 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.302 -6.124 1.320 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -4.963 -7.360 2.556 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.529 -6.515 2.548 1.00 1.00 H new ATOM 234 N THR A 16 -5.690 -8.081 6.564 1.00 1.00 N ATOM 235 CA THR A 16 -5.461 -8.853 7.776 1.00 1.00 C ATOM 236 C THR A 16 -4.026 -8.641 8.238 1.00 1.00 C ATOM 237 O THR A 16 -3.222 -8.104 7.483 1.00 1.00 O ATOM 238 CB THR A 16 -5.804 -10.344 7.541 1.00 1.00 C ATOM 239 OG1 THR A 16 -4.744 -11.002 6.871 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.103 -10.563 6.755 1.00 1.00 C ATOM 0 H THR A 16 -5.286 -8.505 5.729 1.00 1.00 H new ATOM 0 HA THR A 16 -6.120 -8.510 8.573 1.00 1.00 H new ATOM 0 HB THR A 16 -5.951 -10.768 8.534 1.00 1.00 H new ATOM 0 HG1 THR A 16 -4.979 -11.943 6.733 1.00 1.00 H new ATOM 0 HG21 THR A 16 -7.277 -11.632 6.630 1.00 1.00 H new ATOM 0 HG22 THR A 16 -7.937 -10.121 7.300 1.00 1.00 H new ATOM 0 HG23 THR A 16 -7.019 -10.092 5.776 1.00 1.00 H new ATOM 248 N ALA A 17 -3.657 -9.094 9.438 1.00 1.00 N ATOM 249 CA ALA A 17 -2.268 -9.016 9.883 1.00 1.00 C ATOM 250 C ALA A 17 -1.341 -9.737 8.891 1.00 1.00 C ATOM 251 O ALA A 17 -0.229 -9.276 8.636 1.00 1.00 O ATOM 252 CB ALA A 17 -2.132 -9.633 11.277 1.00 1.00 C ATOM 0 H ALA A 17 -4.296 -9.515 10.113 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.974 -7.967 9.927 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.094 -9.571 11.602 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.765 -9.090 11.979 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.440 -10.678 11.244 1.00 1.00 H new ATOM 258 N GLU A 18 -1.809 -10.852 8.325 1.00 1.00 N ATOM 259 CA GLU A 18 -1.063 -11.694 7.403 1.00 1.00 C ATOM 260 C GLU A 18 -0.984 -11.026 6.022 1.00 1.00 C ATOM 261 O GLU A 18 0.088 -10.998 5.410 1.00 1.00 O ATOM 262 CB GLU A 18 -1.729 -13.078 7.393 1.00 1.00 C ATOM 263 CG GLU A 18 -0.860 -14.198 6.807 1.00 1.00 C ATOM 264 CD GLU A 18 -0.712 -14.139 5.288 1.00 1.00 C ATOM 265 OE1 GLU A 18 -1.739 -14.097 4.574 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.444 -14.192 4.808 1.00 1.00 O ATOM 0 H GLU A 18 -2.750 -11.200 8.506 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.027 -11.824 7.717 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.001 -13.343 8.414 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -2.655 -13.017 6.822 1.00 1.00 H new ATOM 0 HG2 GLU A 18 0.130 -14.151 7.260 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -1.291 -15.160 7.083 1.00 1.00 H new ATOM 273 N GLU A 19 -2.081 -10.432 5.541 1.00 1.00 N ATOM 274 CA GLU A 19 -2.027 -9.685 4.290 1.00 1.00 C ATOM 275 C GLU A 19 -1.104 -8.475 4.502 1.00 1.00 C ATOM 276 O GLU A 19 -0.215 -8.230 3.698 1.00 1.00 O ATOM 277 CB GLU A 19 -3.411 -9.216 3.820 1.00 1.00 C ATOM 278 CG GLU A 19 -4.469 -10.290 3.519 1.00 1.00 C ATOM 279 CD GLU A 19 -4.100 -11.318 2.447 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.340 -11.012 1.505 1.00 1.00 O ATOM 281 OE2 GLU A 19 -4.617 -12.458 2.516 1.00 1.00 O ATOM 0 H GLU A 19 -2.996 -10.455 5.991 1.00 1.00 H new ATOM 0 HA GLU A 19 -1.644 -10.342 3.509 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -3.816 -8.552 4.583 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.274 -8.619 2.918 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.689 -10.823 4.444 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.388 -9.790 3.213 1.00 1.00 H new ATOM 288 N LEU A 20 -1.239 -7.735 5.606 1.00 1.00 N ATOM 289 CA LEU A 20 -0.417 -6.565 5.905 1.00 1.00 C ATOM 290 C LEU A 20 1.062 -6.932 5.947 1.00 1.00 C ATOM 291 O LEU A 20 1.894 -6.183 5.435 1.00 1.00 O ATOM 292 CB LEU A 20 -0.862 -5.900 7.230 1.00 1.00 C ATOM 293 CG LEU A 20 -2.198 -5.127 7.152 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.615 -4.575 8.516 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.030 -3.914 6.238 1.00 1.00 C ATOM 0 H LEU A 20 -1.933 -7.937 6.326 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.559 -5.841 5.102 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -0.949 -6.671 7.996 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.080 -5.214 7.556 1.00 1.00 H new ATOM 0 HG LEU A 20 -2.948 -5.827 6.784 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.559 -4.038 8.418 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.737 -5.398 9.220 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.847 -3.894 8.883 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -2.971 -3.368 6.182 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.255 -3.261 6.639 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.744 -4.247 5.240 1.00 1.00 H new ATOM 307 N LYS A 21 1.402 -8.089 6.517 1.00 1.00 N ATOM 308 CA LYS A 21 2.759 -8.623 6.530 1.00 1.00 C ATOM 309 C LYS A 21 3.247 -8.730 5.091 1.00 1.00 C ATOM 310 O LYS A 21 4.301 -8.181 4.748 1.00 1.00 O ATOM 311 CB LYS A 21 2.707 -10.002 7.194 1.00 1.00 C ATOM 312 CG LYS A 21 4.036 -10.781 7.204 1.00 1.00 C ATOM 313 CD LYS A 21 4.003 -12.010 6.278 1.00 1.00 C ATOM 314 CE LYS A 21 3.008 -13.062 6.790 1.00 1.00 C ATOM 315 NZ LYS A 21 2.898 -14.207 5.867 1.00 1.00 N ATOM 0 H LYS A 21 0.727 -8.690 6.990 1.00 1.00 H new ATOM 0 HA LYS A 21 3.444 -7.980 7.083 1.00 1.00 H new ATOM 0 HB2 LYS A 21 2.370 -9.878 8.223 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.956 -10.605 6.683 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.845 -10.118 6.895 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.258 -11.102 8.222 1.00 1.00 H new ATOM 0 HD2 LYS A 21 3.725 -11.702 5.270 1.00 1.00 H new ATOM 0 HD3 LYS A 21 4.999 -12.448 6.214 1.00 1.00 H new ATOM 0 HE2 LYS A 21 3.325 -13.415 7.771 1.00 1.00 H new ATOM 0 HE3 LYS A 21 2.028 -12.603 6.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 3.041 -15.092 6.394 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 1.954 -14.212 5.431 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 3.622 -14.125 5.125 1.00 1.00 H new ATOM 329 N LYS A 22 2.496 -9.458 4.256 1.00 1.00 N ATOM 330 CA LYS A 22 2.870 -9.642 2.865 1.00 1.00 C ATOM 331 C LYS A 22 2.976 -8.293 2.162 1.00 1.00 C ATOM 332 O LYS A 22 3.996 -8.074 1.525 1.00 1.00 O ATOM 333 CB LYS A 22 1.869 -10.536 2.140 1.00 1.00 C ATOM 334 CG LYS A 22 1.950 -12.034 2.465 1.00 1.00 C ATOM 335 CD LYS A 22 1.531 -12.830 1.218 1.00 1.00 C ATOM 336 CE LYS A 22 1.149 -14.289 1.483 1.00 1.00 C ATOM 337 NZ LYS A 22 -0.191 -14.425 2.083 1.00 1.00 N ATOM 0 H LYS A 22 1.630 -9.924 4.526 1.00 1.00 H new ATOM 0 HA LYS A 22 3.843 -10.132 2.840 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.863 -10.187 2.374 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.009 -10.409 1.066 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.964 -12.302 2.762 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.298 -12.275 3.304 1.00 1.00 H new ATOM 0 HD2 LYS A 22 0.684 -12.327 0.751 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.350 -12.809 0.499 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.181 -14.845 0.546 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.887 -14.739 2.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -0.101 -14.783 3.055 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -0.661 -13.497 2.098 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -0.758 -15.091 1.520 1.00 1.00 H new ATOM 351 N PHE A 23 2.001 -7.390 2.296 1.00 1.00 N ATOM 352 CA PHE A 23 1.956 -6.094 1.620 1.00 1.00 C ATOM 353 C PHE A 23 3.251 -5.352 1.884 1.00 1.00 C ATOM 354 O PHE A 23 3.957 -4.901 0.978 1.00 1.00 O ATOM 355 CB PHE A 23 0.742 -5.305 2.150 1.00 1.00 C ATOM 356 CG PHE A 23 0.546 -3.899 1.602 1.00 1.00 C ATOM 357 CD1 PHE A 23 1.302 -2.812 2.090 1.00 1.00 C ATOM 358 CD2 PHE A 23 -0.447 -3.660 0.632 1.00 1.00 C ATOM 359 CE1 PHE A 23 1.054 -1.513 1.614 1.00 1.00 C ATOM 360 CE2 PHE A 23 -0.688 -2.358 0.157 1.00 1.00 C ATOM 361 CZ PHE A 23 0.064 -1.281 0.649 1.00 1.00 C ATOM 0 H PHE A 23 1.194 -7.548 2.899 1.00 1.00 H new ATOM 0 HA PHE A 23 1.849 -6.220 0.543 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.158 -5.882 1.936 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.827 -5.238 3.235 1.00 1.00 H new ATOM 0 HD1 PHE A 23 2.071 -2.978 2.829 1.00 1.00 H new ATOM 0 HD2 PHE A 23 -1.029 -4.485 0.249 1.00 1.00 H new ATOM 0 HE1 PHE A 23 1.632 -0.685 1.996 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -1.452 -2.188 -0.587 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.118 -0.280 0.287 1.00 1.00 H new ATOM 371 N LYS A 24 3.575 -5.245 3.169 1.00 1.00 N ATOM 372 CA LYS A 24 4.707 -4.487 3.628 1.00 1.00 C ATOM 373 C LYS A 24 6.018 -5.121 3.156 1.00 1.00 C ATOM 374 O LYS A 24 6.956 -4.394 2.846 1.00 1.00 O ATOM 375 CB LYS A 24 4.548 -4.309 5.140 1.00 1.00 C ATOM 376 CG LYS A 24 3.344 -3.384 5.451 1.00 1.00 C ATOM 377 CD LYS A 24 3.011 -3.285 6.943 1.00 1.00 C ATOM 378 CE LYS A 24 1.941 -2.211 7.169 1.00 1.00 C ATOM 379 NZ LYS A 24 1.761 -1.873 8.596 1.00 1.00 N ATOM 0 H LYS A 24 3.046 -5.691 3.919 1.00 1.00 H new ATOM 0 HA LYS A 24 4.749 -3.489 3.192 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.401 -5.280 5.613 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.459 -3.884 5.561 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.556 -2.386 5.068 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.468 -3.751 4.916 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.655 -4.248 7.310 1.00 1.00 H new ATOM 0 HD3 LYS A 24 3.909 -3.040 7.510 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.215 -1.311 6.619 1.00 1.00 H new ATOM 0 HE3 LYS A 24 0.992 -2.558 6.760 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.063 -1.107 8.686 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 1.424 -2.711 9.111 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.669 -1.563 8.996 1.00 1.00 H new ATOM 393 N LEU A 25 6.114 -6.449 3.064 1.00 1.00 N ATOM 394 CA LEU A 25 7.301 -7.093 2.504 1.00 1.00 C ATOM 395 C LEU A 25 7.346 -6.891 0.989 1.00 1.00 C ATOM 396 O LEU A 25 8.411 -6.585 0.465 1.00 1.00 O ATOM 397 CB LEU A 25 7.292 -8.598 2.825 1.00 1.00 C ATOM 398 CG LEU A 25 7.684 -8.924 4.277 1.00 1.00 C ATOM 399 CD1 LEU A 25 7.183 -10.321 4.662 1.00 1.00 C ATOM 400 CD2 LEU A 25 9.207 -8.874 4.458 1.00 1.00 C ATOM 0 H LEU A 25 5.387 -7.096 3.369 1.00 1.00 H new ATOM 0 HA LEU A 25 8.185 -6.639 2.952 1.00 1.00 H new ATOM 0 HB2 LEU A 25 6.296 -8.996 2.629 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.978 -9.109 2.149 1.00 1.00 H new ATOM 0 HG LEU A 25 7.223 -8.176 4.922 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.467 -10.539 5.692 1.00 1.00 H new ATOM 0 HD12 LEU A 25 6.097 -10.356 4.570 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.628 -11.063 3.998 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.458 -9.108 5.493 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.676 -9.603 3.797 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.570 -7.876 4.213 1.00 1.00 H new ATOM 412 N LYS A 26 6.230 -7.055 0.270 1.00 1.00 N ATOM 413 CA LYS A 26 6.136 -6.937 -1.188 1.00 1.00 C ATOM 414 C LYS A 26 6.653 -5.574 -1.634 1.00 1.00 C ATOM 415 O LYS A 26 7.452 -5.518 -2.572 1.00 1.00 O ATOM 416 CB LYS A 26 4.691 -7.189 -1.657 1.00 1.00 C ATOM 417 CG LYS A 26 4.254 -8.660 -1.502 1.00 1.00 C ATOM 418 CD LYS A 26 4.118 -9.435 -2.819 1.00 1.00 C ATOM 419 CE LYS A 26 5.427 -9.508 -3.612 1.00 1.00 C ATOM 420 NZ LYS A 26 5.279 -10.356 -4.808 1.00 1.00 N ATOM 0 H LYS A 26 5.335 -7.282 0.704 1.00 1.00 H new ATOM 0 HA LYS A 26 6.762 -7.698 -1.653 1.00 1.00 H new ATOM 0 HB2 LYS A 26 4.014 -6.553 -1.087 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.598 -6.897 -2.703 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.977 -9.174 -0.868 1.00 1.00 H new ATOM 0 HG3 LYS A 26 3.297 -8.687 -0.981 1.00 1.00 H new ATOM 0 HD2 LYS A 26 3.773 -10.447 -2.604 1.00 1.00 H new ATOM 0 HD3 LYS A 26 3.353 -8.962 -3.435 1.00 1.00 H new ATOM 0 HE2 LYS A 26 5.731 -8.505 -3.910 1.00 1.00 H new ATOM 0 HE3 LYS A 26 6.218 -9.906 -2.977 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 6.208 -10.734 -5.083 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 4.633 -11.143 -4.597 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 4.891 -9.790 -5.589 1.00 1.00 H new ATOM 434 N LEU A 27 6.283 -4.506 -0.915 1.00 1.00 N ATOM 435 CA LEU A 27 6.779 -3.147 -1.139 1.00 1.00 C ATOM 436 C LEU A 27 8.284 -3.015 -1.190 1.00 1.00 C ATOM 437 O LEU A 27 8.778 -2.036 -1.758 1.00 1.00 O ATOM 438 CB LEU A 27 6.291 -2.173 -0.050 1.00 1.00 C ATOM 439 CG LEU A 27 4.881 -1.636 -0.275 1.00 1.00 C ATOM 440 CD1 LEU A 27 4.394 -0.893 0.971 1.00 1.00 C ATOM 441 CD2 LEU A 27 4.957 -0.632 -1.433 1.00 1.00 C ATOM 0 H LEU A 27 5.616 -4.567 -0.146 1.00 1.00 H new ATOM 0 HA LEU A 27 6.375 -2.899 -2.121 1.00 1.00 H new ATOM 0 HB2 LEU A 27 6.325 -2.679 0.915 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.983 -1.333 0.006 1.00 1.00 H new ATOM 0 HG LEU A 27 4.198 -2.457 -0.491 1.00 1.00 H new ATOM 0 HD11 LEU A 27 3.387 -0.514 0.798 1.00 1.00 H new ATOM 0 HD12 LEU A 27 4.384 -1.575 1.821 1.00 1.00 H new ATOM 0 HD13 LEU A 27 5.064 -0.059 1.182 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.965 -0.224 -1.626 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.638 0.177 -1.169 1.00 1.00 H new ATOM 0 HD23 LEU A 27 5.322 -1.136 -2.328 1.00 1.00 H new ATOM 453 N LEU A 28 9.010 -3.952 -0.591 1.00 1.00 N ATOM 454 CA LEU A 28 10.452 -3.863 -0.486 1.00 1.00 C ATOM 455 C LEU A 28 11.078 -5.219 -0.842 1.00 1.00 C ATOM 456 O LEU A 28 12.196 -5.539 -0.434 1.00 1.00 O ATOM 457 CB LEU A 28 10.748 -3.328 0.925 1.00 1.00 C ATOM 458 CG LEU A 28 12.128 -2.652 1.129 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.912 -3.286 2.273 1.00 1.00 C ATOM 460 CD2 LEU A 28 13.018 -2.424 -0.106 1.00 1.00 C ATOM 0 H LEU A 28 8.612 -4.790 -0.167 1.00 1.00 H new ATOM 0 HA LEU A 28 10.909 -3.173 -1.195 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.973 -2.608 1.187 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.666 -4.156 1.629 1.00 1.00 H new ATOM 0 HG LEU A 28 11.836 -1.636 1.394 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.872 -2.781 2.380 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.346 -3.189 3.199 1.00 1.00 H new ATOM 0 HD13 LEU A 28 13.079 -4.342 2.058 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.947 -1.943 0.199 1.00 1.00 H new ATOM 0 HD22 LEU A 28 13.242 -3.382 -0.575 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.496 -1.785 -0.818 1.00 1.00 H new ATOM 472 N SER A 29 10.362 -6.027 -1.626 1.00 1.00 N ATOM 473 CA SER A 29 10.810 -7.298 -2.164 1.00 1.00 C ATOM 474 C SER A 29 11.032 -7.023 -3.648 1.00 1.00 C ATOM 475 O SER A 29 12.180 -6.827 -4.054 1.00 1.00 O ATOM 476 CB SER A 29 9.778 -8.385 -1.836 1.00 1.00 C ATOM 477 OG SER A 29 10.194 -9.661 -2.273 1.00 1.00 O ATOM 0 H SER A 29 9.411 -5.796 -1.912 1.00 1.00 H new ATOM 0 HA SER A 29 11.735 -7.683 -1.734 1.00 1.00 H new ATOM 0 HB2 SER A 29 9.607 -8.409 -0.760 1.00 1.00 H new ATOM 0 HB3 SER A 29 8.826 -8.134 -2.305 1.00 1.00 H new ATOM 0 HG SER A 29 9.510 -10.324 -2.044 1.00 1.00 H new ATOM 483 N VAL A 30 9.959 -6.930 -4.439 1.00 1.00 N ATOM 484 CA VAL A 30 10.069 -6.555 -5.840 1.00 1.00 C ATOM 485 C VAL A 30 10.437 -5.059 -5.852 1.00 1.00 C ATOM 486 O VAL A 30 9.847 -4.284 -5.084 1.00 1.00 O ATOM 487 CB VAL A 30 8.783 -6.926 -6.612 1.00 1.00 C ATOM 488 CG1 VAL A 30 7.485 -6.379 -6.010 1.00 1.00 C ATOM 489 CG2 VAL A 30 8.852 -6.505 -8.085 1.00 1.00 C ATOM 0 H VAL A 30 9.005 -7.111 -4.126 1.00 1.00 H new ATOM 0 HA VAL A 30 10.847 -7.105 -6.370 1.00 1.00 H new ATOM 0 HB VAL A 30 8.746 -8.012 -6.527 1.00 1.00 H new ATOM 0 HG11 VAL A 30 6.639 -6.693 -6.622 1.00 1.00 H new ATOM 0 HG12 VAL A 30 7.363 -6.764 -4.998 1.00 1.00 H new ATOM 0 HG13 VAL A 30 7.528 -5.290 -5.981 1.00 1.00 H new ATOM 0 HG21 VAL A 30 7.926 -6.786 -8.587 1.00 1.00 H new ATOM 0 HG22 VAL A 30 8.986 -5.425 -8.149 1.00 1.00 H new ATOM 0 HG23 VAL A 30 9.693 -7.004 -8.567 1.00 1.00 H new ATOM 499 N PRO A 31 11.434 -4.637 -6.652 1.00 1.00 N ATOM 500 CA PRO A 31 11.904 -3.259 -6.649 1.00 1.00 C ATOM 501 C PRO A 31 10.847 -2.287 -7.193 1.00 1.00 C ATOM 502 O PRO A 31 9.805 -2.671 -7.743 1.00 1.00 O ATOM 503 CB PRO A 31 13.200 -3.261 -7.472 1.00 1.00 C ATOM 504 CG PRO A 31 13.075 -4.487 -8.371 1.00 1.00 C ATOM 505 CD PRO A 31 12.264 -5.458 -7.521 1.00 1.00 C ATOM 0 HA PRO A 31 12.093 -2.902 -5.637 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.301 -2.347 -8.058 1.00 1.00 H new ATOM 0 HB3 PRO A 31 14.079 -3.327 -6.830 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.569 -4.251 -9.307 1.00 1.00 H new ATOM 0 HG3 PRO A 31 14.051 -4.897 -8.631 1.00 1.00 H new ATOM 0 HD2 PRO A 31 11.651 -6.106 -8.147 1.00 1.00 H new ATOM 0 HD3 PRO A 31 12.918 -6.105 -6.937 1.00 1.00 H new ATOM 513 N LEU A 32 11.142 -0.999 -7.038 1.00 1.00 N ATOM 514 CA LEU A 32 10.288 0.131 -7.377 1.00 1.00 C ATOM 515 C LEU A 32 11.043 1.054 -8.343 1.00 1.00 C ATOM 516 O LEU A 32 12.267 0.955 -8.467 1.00 1.00 O ATOM 517 CB LEU A 32 9.880 0.816 -6.072 1.00 1.00 C ATOM 518 CG LEU A 32 8.690 1.776 -6.260 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.557 1.404 -5.302 1.00 1.00 C ATOM 520 CD2 LEU A 32 9.166 3.208 -6.028 1.00 1.00 C ATOM 0 H LEU A 32 12.037 -0.701 -6.649 1.00 1.00 H new ATOM 0 HA LEU A 32 9.377 -0.176 -7.890 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.619 0.058 -5.333 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.730 1.369 -5.674 1.00 1.00 H new ATOM 0 HG LEU A 32 8.302 1.695 -7.276 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.721 2.089 -5.444 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.229 0.385 -5.505 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.912 1.473 -4.274 1.00 1.00 H new ATOM 0 HD21 LEU A 32 8.330 3.895 -6.159 1.00 1.00 H new ATOM 0 HD22 LEU A 32 9.557 3.302 -5.015 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.951 3.451 -6.744 1.00 1.00 H new ATOM 532 N ARG A 33 10.348 2.007 -8.957 1.00 1.00 N ATOM 533 CA ARG A 33 10.876 2.891 -9.991 1.00 1.00 C ATOM 534 C ARG A 33 11.825 3.956 -9.451 1.00 1.00 C ATOM 535 O ARG A 33 11.809 4.292 -8.265 1.00 1.00 O ATOM 536 CB ARG A 33 9.685 3.620 -10.641 1.00 1.00 C ATOM 537 CG ARG A 33 8.677 2.667 -11.289 1.00 1.00 C ATOM 538 CD ARG A 33 7.449 3.411 -11.817 1.00 1.00 C ATOM 539 NE ARG A 33 6.499 2.459 -12.408 1.00 1.00 N ATOM 540 CZ ARG A 33 6.666 1.813 -13.566 1.00 1.00 C ATOM 541 NH1 ARG A 33 7.632 2.157 -14.409 1.00 1.00 N ATOM 542 NH2 ARG A 33 5.878 0.789 -13.844 1.00 1.00 N ATOM 0 H ARG A 33 9.368 2.191 -8.741 1.00 1.00 H new ATOM 0 HA ARG A 33 11.437 2.272 -10.692 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.176 4.218 -9.885 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.059 4.312 -11.396 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.158 2.132 -12.108 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.363 1.919 -10.560 1.00 1.00 H new ATOM 0 HD2 ARG A 33 6.970 3.959 -11.006 1.00 1.00 H new ATOM 0 HD3 ARG A 33 7.752 4.146 -12.563 1.00 1.00 H new ATOM 0 HE ARG A 33 5.639 2.276 -11.891 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.261 2.925 -14.177 1.00 1.00 H new ATOM 0 HH12 ARG A 33 7.745 1.653 -15.288 1.00 1.00 H new ATOM 0 HH21 ARG A 33 5.158 0.505 -13.180 1.00 1.00 H new ATOM 0 HH22 ARG A 33 5.990 0.283 -14.723 1.00 1.00 H new ATOM 556 N GLU A 34 12.646 4.501 -10.347 1.00 1.00 N ATOM 557 CA GLU A 34 13.530 5.605 -10.038 1.00 1.00 C ATOM 558 C GLU A 34 12.729 6.889 -10.179 1.00 1.00 C ATOM 559 O GLU A 34 12.272 7.231 -11.273 1.00 1.00 O ATOM 560 CB GLU A 34 14.780 5.586 -10.917 1.00 1.00 C ATOM 561 CG GLU A 34 15.523 6.932 -10.871 1.00 1.00 C ATOM 562 CD GLU A 34 17.034 6.840 -11.075 1.00 1.00 C ATOM 563 OE1 GLU A 34 17.542 5.849 -11.654 1.00 1.00 O ATOM 564 OE2 GLU A 34 17.731 7.761 -10.586 1.00 1.00 O ATOM 0 H GLU A 34 12.711 4.181 -11.313 1.00 1.00 H new ATOM 0 HA GLU A 34 13.901 5.524 -9.016 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.447 4.790 -10.586 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.499 5.359 -11.946 1.00 1.00 H new ATOM 0 HG2 GLU A 34 15.107 7.586 -11.637 1.00 1.00 H new ATOM 0 HG3 GLU A 34 15.329 7.405 -9.908 1.00 1.00 H new ATOM 571 N GLY A 35 12.590 7.604 -9.071 1.00 1.00 N ATOM 572 CA GLY A 35 11.855 8.854 -8.983 1.00 1.00 C ATOM 573 C GLY A 35 11.104 8.973 -7.668 1.00 1.00 C ATOM 574 O GLY A 35 10.772 10.089 -7.274 1.00 1.00 O ATOM 0 H GLY A 35 13.000 7.319 -8.181 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.546 9.691 -9.084 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.150 8.921 -9.812 1.00 1.00 H new ATOM 578 N TYR A 36 10.841 7.854 -6.992 1.00 1.00 N ATOM 579 CA TYR A 36 10.242 7.803 -5.680 1.00 1.00 C ATOM 580 C TYR A 36 11.027 6.781 -4.854 1.00 1.00 C ATOM 581 O TYR A 36 11.729 5.924 -5.408 1.00 1.00 O ATOM 582 CB TYR A 36 8.768 7.442 -5.797 1.00 1.00 C ATOM 583 CG TYR A 36 7.929 8.360 -6.672 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.817 9.737 -6.393 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.271 7.832 -7.796 1.00 1.00 C ATOM 586 CE1 TYR A 36 7.076 10.579 -7.244 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.493 8.659 -8.623 1.00 1.00 C ATOM 588 CZ TYR A 36 6.391 10.038 -8.356 1.00 1.00 C ATOM 589 OH TYR A 36 5.701 10.827 -9.226 1.00 1.00 O ATOM 0 H TYR A 36 11.052 6.929 -7.367 1.00 1.00 H new ATOM 0 HA TYR A 36 10.287 8.772 -5.183 1.00 1.00 H new ATOM 0 HB2 TYR A 36 8.692 6.428 -6.189 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.336 7.430 -4.796 1.00 1.00 H new ATOM 0 HD1 TYR A 36 8.303 10.149 -5.521 1.00 1.00 H new ATOM 0 HD2 TYR A 36 7.364 6.781 -8.026 1.00 1.00 H new ATOM 0 HE1 TYR A 36 7.031 11.640 -7.047 1.00 1.00 H new ATOM 0 HE2 TYR A 36 5.970 8.235 -9.468 1.00 1.00 H new ATOM 0 HH TYR A 36 5.299 10.270 -9.925 1.00 1.00 H new ATOM 599 N GLY A 37 10.906 6.854 -3.533 1.00 1.00 N ATOM 600 CA GLY A 37 11.677 6.026 -2.612 1.00 1.00 C ATOM 601 C GLY A 37 11.061 4.655 -2.385 1.00 1.00 C ATOM 602 O GLY A 37 10.033 4.319 -2.968 1.00 1.00 O ATOM 0 H GLY A 37 10.264 7.495 -3.067 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.688 5.904 -3.002 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.764 6.541 -1.656 1.00 1.00 H new ATOM 606 N ARG A 38 11.637 3.870 -1.475 1.00 1.00 N ATOM 607 CA ARG A 38 11.106 2.569 -1.057 1.00 1.00 C ATOM 608 C ARG A 38 11.018 2.593 0.459 1.00 1.00 C ATOM 609 O ARG A 38 12.035 2.889 1.096 1.00 1.00 O ATOM 610 CB ARG A 38 12.000 1.422 -1.555 1.00 1.00 C ATOM 611 CG ARG A 38 11.961 1.255 -3.084 1.00 1.00 C ATOM 612 CD ARG A 38 13.135 0.390 -3.561 1.00 1.00 C ATOM 613 NE ARG A 38 13.402 0.529 -5.002 1.00 1.00 N ATOM 614 CZ ARG A 38 14.360 -0.121 -5.677 1.00 1.00 C ATOM 615 NH1 ARG A 38 15.242 -0.885 -5.040 1.00 1.00 N ATOM 616 NH2 ARG A 38 14.417 -0.027 -7.001 1.00 1.00 N ATOM 0 H ARG A 38 12.502 4.124 -0.998 1.00 1.00 H new ATOM 0 HA ARG A 38 10.121 2.394 -1.490 1.00 1.00 H new ATOM 0 HB2 ARG A 38 13.027 1.606 -1.240 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.684 0.491 -1.084 1.00 1.00 H new ATOM 0 HG2 ARG A 38 11.019 0.795 -3.381 1.00 1.00 H new ATOM 0 HG3 ARG A 38 12.004 2.233 -3.564 1.00 1.00 H new ATOM 0 HD2 ARG A 38 14.031 0.663 -3.003 1.00 1.00 H new ATOM 0 HD3 ARG A 38 12.925 -0.655 -3.335 1.00 1.00 H new ATOM 0 HE ARG A 38 12.810 1.172 -5.529 1.00 1.00 H new ATOM 0 HH11 ARG A 38 15.194 -0.982 -4.026 1.00 1.00 H new ATOM 0 HH12 ARG A 38 15.966 -1.374 -5.566 1.00 1.00 H new ATOM 0 HH21 ARG A 38 13.732 0.539 -7.502 1.00 1.00 H new ATOM 0 HH22 ARG A 38 15.145 -0.521 -7.516 1.00 1.00 H new ATOM 630 N ILE A 39 9.856 2.320 1.049 1.00 1.00 N ATOM 631 CA ILE A 39 9.699 2.389 2.501 1.00 1.00 C ATOM 632 C ILE A 39 10.211 1.030 3.003 1.00 1.00 C ATOM 633 O ILE A 39 9.710 -0.003 2.560 1.00 1.00 O ATOM 634 CB ILE A 39 8.240 2.663 2.946 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.596 3.851 2.193 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.224 2.964 4.462 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.110 4.081 2.505 1.00 1.00 C ATOM 0 H ILE A 39 9.011 2.050 0.546 1.00 1.00 H new ATOM 0 HA ILE A 39 10.255 3.227 2.922 1.00 1.00 H new ATOM 0 HB ILE A 39 7.657 1.773 2.712 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.148 4.759 2.435 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.707 3.687 1.121 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.201 3.158 4.784 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.619 2.107 5.007 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.841 3.840 4.666 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.746 4.934 1.932 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.540 3.192 2.235 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.988 4.281 3.570 1.00 1.00 H new ATOM 649 N PRO A 40 11.251 0.995 3.851 1.00 1.00 N ATOM 650 CA PRO A 40 11.853 -0.255 4.287 1.00 1.00 C ATOM 651 C PRO A 40 10.906 -1.021 5.217 1.00 1.00 C ATOM 652 O PRO A 40 10.024 -0.450 5.869 1.00 1.00 O ATOM 653 CB PRO A 40 13.175 0.143 4.940 1.00 1.00 C ATOM 654 CG PRO A 40 12.828 1.503 5.526 1.00 1.00 C ATOM 655 CD PRO A 40 11.921 2.123 4.473 1.00 1.00 C ATOM 0 HA PRO A 40 12.039 -0.948 3.466 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.484 -0.567 5.707 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.988 0.204 4.216 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.322 1.409 6.487 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.720 2.107 5.694 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.204 2.810 4.923 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.495 2.694 3.743 1.00 1.00 H new ATOM 663 N ARG A 41 11.124 -2.332 5.329 1.00 1.00 N ATOM 664 CA ARG A 41 10.244 -3.218 6.080 1.00 1.00 C ATOM 665 C ARG A 41 10.172 -2.842 7.548 1.00 1.00 C ATOM 666 O ARG A 41 9.081 -2.872 8.104 1.00 1.00 O ATOM 667 CB ARG A 41 10.686 -4.680 5.914 1.00 1.00 C ATOM 668 CG ARG A 41 9.636 -5.664 6.464 1.00 1.00 C ATOM 669 CD ARG A 41 10.236 -6.824 7.263 1.00 1.00 C ATOM 670 NE ARG A 41 10.850 -6.382 8.538 1.00 1.00 N ATOM 671 CZ ARG A 41 10.424 -6.591 9.795 1.00 1.00 C ATOM 672 NH1 ARG A 41 9.432 -7.434 10.068 1.00 1.00 N ATOM 673 NH2 ARG A 41 10.980 -5.948 10.815 1.00 1.00 N ATOM 0 H ARG A 41 11.918 -2.807 4.899 1.00 1.00 H new ATOM 0 HA ARG A 41 9.240 -3.104 5.671 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.861 -4.889 4.859 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.633 -4.834 6.431 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.939 -5.119 7.100 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.059 -6.068 5.632 1.00 1.00 H new ATOM 0 HD2 ARG A 41 9.457 -7.556 7.474 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.989 -7.327 6.656 1.00 1.00 H new ATOM 0 HE ARG A 41 11.713 -5.846 8.449 1.00 1.00 H new ATOM 0 HH11 ARG A 41 8.973 -7.943 9.313 1.00 1.00 H new ATOM 0 HH12 ARG A 41 9.131 -7.572 11.033 1.00 1.00 H new ATOM 0 HH21 ARG A 41 11.739 -5.287 10.649 1.00 1.00 H new ATOM 0 HH22 ARG A 41 10.648 -6.115 11.765 1.00 1.00 H new ATOM 687 N GLY A 42 11.294 -2.512 8.186 1.00 1.00 N ATOM 688 CA GLY A 42 11.307 -2.171 9.600 1.00 1.00 C ATOM 689 C GLY A 42 10.316 -1.054 9.881 1.00 1.00 C ATOM 690 O GLY A 42 9.464 -1.202 10.763 1.00 1.00 O ATOM 0 H GLY A 42 12.210 -2.475 7.738 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.055 -3.049 10.195 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.309 -1.861 9.897 1.00 1.00 H new ATOM 694 N ALA A 43 10.388 0.012 9.078 1.00 1.00 N ATOM 695 CA ALA A 43 9.488 1.150 9.158 1.00 1.00 C ATOM 696 C ALA A 43 8.051 0.659 9.002 1.00 1.00 C ATOM 697 O ALA A 43 7.250 0.792 9.934 1.00 1.00 O ATOM 698 CB ALA A 43 9.858 2.198 8.103 1.00 1.00 C ATOM 0 H ALA A 43 11.089 0.103 8.343 1.00 1.00 H new ATOM 0 HA ALA A 43 9.581 1.634 10.130 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.175 3.044 8.176 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.879 2.540 8.273 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.784 1.756 7.109 1.00 1.00 H new ATOM 704 N LEU A 44 7.749 0.035 7.860 1.00 1.00 N ATOM 705 CA LEU A 44 6.409 -0.431 7.521 1.00 1.00 C ATOM 706 C LEU A 44 5.802 -1.294 8.624 1.00 1.00 C ATOM 707 O LEU A 44 4.614 -1.176 8.911 1.00 1.00 O ATOM 708 CB LEU A 44 6.443 -1.241 6.221 1.00 1.00 C ATOM 709 CG LEU A 44 6.703 -0.455 4.928 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.861 -1.461 3.790 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.532 0.476 4.599 1.00 1.00 C ATOM 0 H LEU A 44 8.441 -0.162 7.137 1.00 1.00 H new ATOM 0 HA LEU A 44 5.787 0.456 7.399 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.214 -2.005 6.316 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.490 -1.760 6.118 1.00 1.00 H new ATOM 0 HG LEU A 44 7.599 0.152 5.055 1.00 1.00 H new ATOM 0 HD11 LEU A 44 7.047 -0.929 2.857 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.700 -2.123 4.004 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.949 -2.050 3.696 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.746 1.019 3.678 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.624 -0.113 4.470 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.391 1.186 5.414 1.00 1.00 H new ATOM 723 N LEU A 45 6.594 -2.179 9.223 1.00 1.00 N ATOM 724 CA LEU A 45 6.136 -3.107 10.248 1.00 1.00 C ATOM 725 C LEU A 45 5.973 -2.380 11.584 1.00 1.00 C ATOM 726 O LEU A 45 5.208 -2.856 12.422 1.00 1.00 O ATOM 727 CB LEU A 45 7.066 -4.327 10.317 1.00 1.00 C ATOM 728 CG LEU A 45 6.823 -5.423 9.249 1.00 1.00 C ATOM 729 CD1 LEU A 45 5.865 -6.500 9.757 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.299 -4.974 7.886 1.00 1.00 C ATOM 0 H LEU A 45 7.586 -2.272 9.005 1.00 1.00 H new ATOM 0 HA LEU A 45 5.150 -3.492 9.988 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.096 -3.981 10.227 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.967 -4.780 11.304 1.00 1.00 H new ATOM 0 HG LEU A 45 7.836 -5.792 9.088 1.00 1.00 H new ATOM 0 HD11 LEU A 45 5.718 -7.252 8.981 1.00 1.00 H new ATOM 0 HD12 LEU A 45 6.286 -6.972 10.645 1.00 1.00 H new ATOM 0 HD13 LEU A 45 4.907 -6.045 10.008 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.176 -5.843 7.239 1.00 1.00 H new ATOM 0 HD22 LEU A 45 5.338 -4.476 8.012 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.009 -4.282 7.433 1.00 1.00 H new ATOM 742 N SER A 46 6.723 -1.304 11.867 1.00 1.00 N ATOM 743 CA SER A 46 6.501 -0.515 13.070 1.00 1.00 C ATOM 744 C SER A 46 5.253 0.372 12.881 1.00 1.00 C ATOM 745 O SER A 46 4.666 0.846 13.853 1.00 1.00 O ATOM 746 CB SER A 46 7.746 0.301 13.424 1.00 1.00 C ATOM 747 OG SER A 46 8.376 0.951 12.333 1.00 1.00 O ATOM 0 H SER A 46 7.484 -0.968 11.276 1.00 1.00 H new ATOM 0 HA SER A 46 6.316 -1.180 13.913 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.469 1.053 14.163 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.471 -0.360 13.899 1.00 1.00 H new ATOM 0 HG SER A 46 7.718 1.114 11.625 1.00 1.00 H new ATOM 753 N MET A 47 4.867 0.640 11.628 1.00 1.00 N ATOM 754 CA MET A 47 3.663 1.367 11.251 1.00 1.00 C ATOM 755 C MET A 47 2.462 0.415 11.219 1.00 1.00 C ATOM 756 O MET A 47 2.612 -0.808 11.188 1.00 1.00 O ATOM 757 CB MET A 47 3.886 1.982 9.862 1.00 1.00 C ATOM 758 CG MET A 47 5.019 3.016 9.824 1.00 1.00 C ATOM 759 SD MET A 47 5.885 3.112 8.235 1.00 1.00 S ATOM 760 CE MET A 47 4.505 3.429 7.112 1.00 1.00 C ATOM 0 H MET A 47 5.413 0.341 10.820 1.00 1.00 H new ATOM 0 HA MET A 47 3.457 2.152 11.978 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.108 1.185 9.152 1.00 1.00 H new ATOM 0 HB3 MET A 47 2.962 2.455 9.531 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.608 3.997 10.061 1.00 1.00 H new ATOM 0 HG3 MET A 47 5.741 2.776 10.605 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.886 3.584 6.102 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.828 2.575 7.117 1.00 1.00 H new ATOM 0 HE3 MET A 47 3.968 4.320 7.438 1.00 1.00 H new ATOM 770 N ASP A 48 1.264 0.982 11.203 1.00 1.00 N ATOM 771 CA ASP A 48 -0.045 0.345 11.069 1.00 1.00 C ATOM 772 C ASP A 48 -0.718 0.912 9.829 1.00 1.00 C ATOM 773 O ASP A 48 -0.071 1.538 8.991 1.00 1.00 O ATOM 774 CB ASP A 48 -0.931 0.638 12.285 1.00 1.00 C ATOM 775 CG ASP A 48 -1.358 2.105 12.374 1.00 1.00 C ATOM 776 OD1 ASP A 48 -0.477 2.982 12.517 1.00 1.00 O ATOM 777 OD2 ASP A 48 -2.572 2.390 12.345 1.00 1.00 O ATOM 0 H ASP A 48 1.172 1.994 11.292 1.00 1.00 H new ATOM 0 HA ASP A 48 0.090 -0.734 10.994 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.820 0.009 12.240 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.393 0.366 13.193 1.00 1.00 H new ATOM 782 N ALA A 49 -2.023 0.695 9.722 1.00 1.00 N ATOM 783 CA ALA A 49 -2.833 1.196 8.626 1.00 1.00 C ATOM 784 C ALA A 49 -2.817 2.725 8.530 1.00 1.00 C ATOM 785 O ALA A 49 -2.644 3.262 7.433 1.00 1.00 O ATOM 786 CB ALA A 49 -4.264 0.666 8.778 1.00 1.00 C ATOM 0 H ALA A 49 -2.554 0.157 10.407 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.403 0.833 7.693 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.879 1.038 7.958 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.253 -0.424 8.757 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.679 1.007 9.727 1.00 1.00 H new ATOM 792 N LEU A 50 -2.997 3.434 9.647 1.00 1.00 N ATOM 793 CA LEU A 50 -3.061 4.893 9.646 1.00 1.00 C ATOM 794 C LEU A 50 -1.682 5.486 9.418 1.00 1.00 C ATOM 795 O LEU A 50 -1.528 6.353 8.554 1.00 1.00 O ATOM 796 CB LEU A 50 -3.693 5.383 10.949 1.00 1.00 C ATOM 797 CG LEU A 50 -3.987 6.897 10.928 1.00 1.00 C ATOM 798 CD1 LEU A 50 -5.287 7.206 11.674 1.00 1.00 C ATOM 799 CD2 LEU A 50 -2.852 7.698 11.571 1.00 1.00 C ATOM 0 H LEU A 50 -3.102 3.014 10.571 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.692 5.230 8.823 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.620 4.838 11.127 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -3.026 5.157 11.781 1.00 1.00 H new ATOM 0 HG LEU A 50 -4.081 7.188 9.882 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.476 8.279 11.647 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -6.114 6.680 11.197 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -5.199 6.879 12.710 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.093 8.761 11.539 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.728 7.385 12.608 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.926 7.519 11.025 1.00 1.00 H new ATOM 811 N ASP A 51 -0.685 4.990 10.160 1.00 1.00 N ATOM 812 CA ASP A 51 0.699 5.409 9.955 1.00 1.00 C ATOM 813 C ASP A 51 1.107 5.153 8.518 1.00 1.00 C ATOM 814 O ASP A 51 1.779 6.002 7.935 1.00 1.00 O ATOM 815 CB ASP A 51 1.718 4.682 10.845 1.00 1.00 C ATOM 816 CG ASP A 51 1.890 5.180 12.274 1.00 1.00 C ATOM 817 OD1 ASP A 51 1.232 6.162 12.690 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.750 4.609 12.981 1.00 1.00 O ATOM 0 H ASP A 51 -0.813 4.302 10.902 1.00 1.00 H new ATOM 0 HA ASP A 51 0.716 6.467 10.215 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.436 3.630 10.888 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.689 4.732 10.353 1.00 1.00 H new ATOM 823 N LEU A 52 0.732 4.006 7.934 1.00 1.00 N ATOM 824 CA LEU A 52 1.036 3.769 6.542 1.00 1.00 C ATOM 825 C LEU A 52 0.346 4.799 5.689 1.00 1.00 C ATOM 826 O LEU A 52 1.047 5.437 4.931 1.00 1.00 O ATOM 827 CB LEU A 52 0.673 2.353 6.066 1.00 1.00 C ATOM 828 CG LEU A 52 0.883 2.233 4.530 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.762 1.034 4.173 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.436 2.207 3.732 1.00 1.00 C ATOM 0 H LEU A 52 0.230 3.252 8.403 1.00 1.00 H new ATOM 0 HA LEU A 52 2.118 3.856 6.438 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.290 1.618 6.583 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.364 2.132 6.317 1.00 1.00 H new ATOM 0 HG LEU A 52 1.405 3.142 4.233 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.886 0.983 3.091 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.738 1.145 4.645 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.289 0.118 4.528 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.216 2.122 2.668 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.036 1.353 4.048 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -0.990 3.127 3.915 1.00 1.00 H new ATOM 842 N THR A 53 -0.964 4.964 5.777 1.00 1.00 N ATOM 843 CA THR A 53 -1.696 5.856 4.903 1.00 1.00 C ATOM 844 C THR A 53 -1.050 7.237 4.821 1.00 1.00 C ATOM 845 O THR A 53 -0.755 7.706 3.718 1.00 1.00 O ATOM 846 CB THR A 53 -3.145 5.896 5.379 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.688 4.595 5.318 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.960 6.820 4.487 1.00 1.00 C ATOM 0 H THR A 53 -1.548 4.480 6.459 1.00 1.00 H new ATOM 0 HA THR A 53 -1.671 5.483 3.879 1.00 1.00 H new ATOM 0 HB THR A 53 -3.177 6.267 6.404 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.446 4.101 6.129 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.993 6.843 4.834 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.542 7.826 4.526 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.930 6.455 3.461 1.00 1.00 H new ATOM 856 N ASP A 54 -0.789 7.862 5.970 1.00 1.00 N ATOM 857 CA ASP A 54 -0.087 9.143 5.960 1.00 1.00 C ATOM 858 C ASP A 54 1.316 9.035 5.397 1.00 1.00 C ATOM 859 O ASP A 54 1.685 9.847 4.546 1.00 1.00 O ATOM 860 CB ASP A 54 -0.029 9.834 7.324 1.00 1.00 C ATOM 861 CG ASP A 54 -1.281 10.616 7.695 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.321 10.559 6.998 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.173 11.402 8.665 1.00 1.00 O ATOM 0 H ASP A 54 -1.045 7.514 6.894 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.692 9.765 5.300 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.153 9.080 8.090 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.824 10.513 7.336 1.00 1.00 H new ATOM 868 N LYS A 55 2.109 8.064 5.858 1.00 1.00 N ATOM 869 CA LYS A 55 3.496 7.983 5.430 1.00 1.00 C ATOM 870 C LYS A 55 3.561 7.751 3.934 1.00 1.00 C ATOM 871 O LYS A 55 4.275 8.464 3.262 1.00 1.00 O ATOM 872 CB LYS A 55 4.267 6.889 6.173 1.00 1.00 C ATOM 873 CG LYS A 55 5.774 7.195 6.088 1.00 1.00 C ATOM 874 CD LYS A 55 6.621 6.535 7.180 1.00 1.00 C ATOM 875 CE LYS A 55 6.460 7.166 8.573 1.00 1.00 C ATOM 876 NZ LYS A 55 5.283 6.676 9.326 1.00 1.00 N ATOM 0 H LYS A 55 1.817 7.340 6.514 1.00 1.00 H new ATOM 0 HA LYS A 55 3.973 8.933 5.673 1.00 1.00 H new ATOM 0 HB2 LYS A 55 3.949 6.845 7.215 1.00 1.00 H new ATOM 0 HB3 LYS A 55 4.055 5.914 5.734 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.143 6.871 5.115 1.00 1.00 H new ATOM 0 HG3 LYS A 55 5.916 8.275 6.139 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.357 5.479 7.240 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.670 6.586 6.890 1.00 1.00 H new ATOM 0 HE2 LYS A 55 7.359 6.968 9.156 1.00 1.00 H new ATOM 0 HE3 LYS A 55 6.383 8.248 8.463 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 5.552 6.501 10.315 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 4.528 7.391 9.294 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 4.941 5.792 8.899 1.00 1.00 H new ATOM 890 N LEU A 56 2.836 6.768 3.420 1.00 1.00 N ATOM 891 CA LEU A 56 2.734 6.361 2.032 1.00 1.00 C ATOM 892 C LEU A 56 2.355 7.573 1.188 1.00 1.00 C ATOM 893 O LEU A 56 3.057 7.866 0.226 1.00 1.00 O ATOM 894 CB LEU A 56 1.746 5.174 1.993 1.00 1.00 C ATOM 895 CG LEU A 56 1.264 4.557 0.677 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.231 5.449 0.003 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.373 4.168 -0.294 1.00 1.00 C ATOM 0 H LEU A 56 2.253 6.185 4.021 1.00 1.00 H new ATOM 0 HA LEU A 56 3.670 6.009 1.599 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.201 4.368 2.569 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.855 5.490 2.536 1.00 1.00 H new ATOM 0 HG LEU A 56 0.797 3.614 0.960 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -0.095 4.988 -0.929 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.626 5.576 0.664 1.00 1.00 H new ATOM 0 HD13 LEU A 56 0.674 6.422 -0.209 1.00 1.00 H new ATOM 0 HD21 LEU A 56 1.934 3.740 -1.195 1.00 1.00 H new ATOM 0 HD22 LEU A 56 2.953 5.053 -0.557 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.026 3.432 0.175 1.00 1.00 H new ATOM 909 N VAL A 57 1.307 8.318 1.539 1.00 1.00 N ATOM 910 CA VAL A 57 0.927 9.483 0.747 1.00 1.00 C ATOM 911 C VAL A 57 1.976 10.606 0.836 1.00 1.00 C ATOM 912 O VAL A 57 2.269 11.247 -0.175 1.00 1.00 O ATOM 913 CB VAL A 57 -0.502 9.900 1.139 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.865 11.294 0.639 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.494 8.876 0.554 1.00 1.00 C ATOM 0 H VAL A 57 0.717 8.139 2.351 1.00 1.00 H new ATOM 0 HA VAL A 57 0.910 9.232 -0.314 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.555 9.924 2.227 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.883 11.536 0.944 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.176 12.024 1.064 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -0.796 11.320 -0.449 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.511 9.159 0.824 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.399 8.857 -0.532 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.274 7.887 0.955 1.00 1.00 H new ATOM 925 N SER A 58 2.575 10.857 2.001 1.00 1.00 N ATOM 926 CA SER A 58 3.585 11.899 2.149 1.00 1.00 C ATOM 927 C SER A 58 4.861 11.519 1.379 1.00 1.00 C ATOM 928 O SER A 58 5.403 12.311 0.612 1.00 1.00 O ATOM 929 CB SER A 58 3.827 12.123 3.647 1.00 1.00 C ATOM 930 OG SER A 58 4.612 13.276 3.884 1.00 1.00 O ATOM 0 H SER A 58 2.374 10.347 2.861 1.00 1.00 H new ATOM 0 HA SER A 58 3.245 12.840 1.717 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.870 12.223 4.159 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.325 11.250 4.070 1.00 1.00 H new ATOM 0 HG SER A 58 4.745 13.389 4.848 1.00 1.00 H new ATOM 936 N PHE A 59 5.348 10.301 1.593 1.00 1.00 N ATOM 937 CA PHE A 59 6.564 9.720 1.048 1.00 1.00 C ATOM 938 C PHE A 59 6.445 9.531 -0.465 1.00 1.00 C ATOM 939 O PHE A 59 7.477 9.522 -1.139 1.00 1.00 O ATOM 940 CB PHE A 59 6.796 8.393 1.787 1.00 1.00 C ATOM 941 CG PHE A 59 8.101 7.659 1.583 1.00 1.00 C ATOM 942 CD1 PHE A 59 8.319 6.945 0.395 1.00 1.00 C ATOM 943 CD2 PHE A 59 9.027 7.549 2.639 1.00 1.00 C ATOM 944 CE1 PHE A 59 9.453 6.138 0.259 1.00 1.00 C ATOM 945 CE2 PHE A 59 10.166 6.737 2.500 1.00 1.00 C ATOM 946 CZ PHE A 59 10.390 6.040 1.302 1.00 1.00 C ATOM 0 H PHE A 59 4.861 9.644 2.202 1.00 1.00 H new ATOM 0 HA PHE A 59 7.420 10.379 1.198 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.692 8.588 2.854 1.00 1.00 H new ATOM 0 HB3 PHE A 59 5.990 7.715 1.507 1.00 1.00 H new ATOM 0 HD1 PHE A 59 7.610 7.019 -0.416 1.00 1.00 H new ATOM 0 HD2 PHE A 59 8.861 8.090 3.559 1.00 1.00 H new ATOM 0 HE1 PHE A 59 9.610 5.585 -0.655 1.00 1.00 H new ATOM 0 HE2 PHE A 59 10.869 6.649 3.315 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.275 5.433 1.183 1.00 1.00 H new ATOM 956 N TYR A 60 5.230 9.370 -1.002 1.00 1.00 N ATOM 957 CA TYR A 60 5.010 9.297 -2.433 1.00 1.00 C ATOM 958 C TYR A 60 4.129 10.480 -2.821 1.00 1.00 C ATOM 959 O TYR A 60 4.668 11.579 -2.907 1.00 1.00 O ATOM 960 CB TYR A 60 4.405 7.935 -2.807 1.00 1.00 C ATOM 961 CG TYR A 60 5.330 6.750 -2.608 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.210 6.373 -3.633 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.290 5.999 -1.420 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.030 5.241 -3.482 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.058 4.832 -1.282 1.00 1.00 C ATOM 966 CZ TYR A 60 6.936 4.451 -2.315 1.00 1.00 C ATOM 967 OH TYR A 60 7.713 3.347 -2.174 1.00 1.00 O ATOM 0 H TYR A 60 4.378 9.288 -0.448 1.00 1.00 H new ATOM 0 HA TYR A 60 5.944 9.366 -2.991 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.504 7.778 -2.213 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.097 7.965 -3.852 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.258 6.955 -4.542 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.661 6.324 -0.604 1.00 1.00 H new ATOM 0 HE1 TYR A 60 7.732 4.975 -4.259 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.976 4.230 -0.389 1.00 1.00 H new ATOM 0 HH TYR A 60 8.550 3.471 -2.668 1.00 1.00 H new ATOM 977 N LEU A 61 2.811 10.302 -2.945 1.00 1.00 N ATOM 978 CA LEU A 61 1.777 11.257 -3.361 1.00 1.00 C ATOM 979 C LEU A 61 0.420 10.592 -3.097 1.00 1.00 C ATOM 980 O LEU A 61 0.381 9.396 -2.816 1.00 1.00 O ATOM 981 CB LEU A 61 1.789 11.526 -4.881 1.00 1.00 C ATOM 982 CG LEU A 61 2.869 12.363 -5.583 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.235 13.627 -4.804 1.00 1.00 C ATOM 984 CD2 LEU A 61 4.080 11.571 -6.090 1.00 1.00 C ATOM 0 H LEU A 61 2.399 9.393 -2.735 1.00 1.00 H new ATOM 0 HA LEU A 61 1.953 12.187 -2.820 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.793 10.550 -5.366 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.834 11.995 -5.118 1.00 1.00 H new ATOM 0 HG LEU A 61 2.396 12.703 -6.504 1.00 1.00 H new ATOM 0 HD11 LEU A 61 4.002 14.179 -5.347 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.350 14.253 -4.689 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.614 13.351 -3.820 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.784 12.251 -6.570 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.568 11.075 -5.251 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.750 10.823 -6.811 1.00 1.00 H new ATOM 996 N GLU A 62 -0.695 11.317 -3.232 1.00 1.00 N ATOM 997 CA GLU A 62 -2.029 10.730 -3.127 1.00 1.00 C ATOM 998 C GLU A 62 -2.268 9.798 -4.318 1.00 1.00 C ATOM 999 O GLU A 62 -2.538 8.613 -4.116 1.00 1.00 O ATOM 1000 CB GLU A 62 -3.152 11.779 -3.023 1.00 1.00 C ATOM 1001 CG GLU A 62 -3.373 12.345 -1.613 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.677 13.663 -1.272 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -1.447 13.808 -1.439 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -3.390 14.563 -0.768 1.00 1.00 O ATOM 0 H GLU A 62 -0.696 12.320 -3.416 1.00 1.00 H new ATOM 0 HA GLU A 62 -2.062 10.165 -2.195 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.924 12.603 -3.699 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -4.083 11.330 -3.370 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -4.445 12.482 -1.468 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -3.047 11.595 -0.893 1.00 1.00 H new ATOM 1011 N THR A 63 -2.133 10.304 -5.549 1.00 1.00 N ATOM 1012 CA THR A 63 -2.379 9.526 -6.758 1.00 1.00 C ATOM 1013 C THR A 63 -1.445 8.316 -6.798 1.00 1.00 C ATOM 1014 O THR A 63 -1.929 7.184 -6.890 1.00 1.00 O ATOM 1015 CB THR A 63 -2.235 10.432 -7.991 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.162 11.497 -7.892 1.00 1.00 O ATOM 1017 CG2 THR A 63 -2.477 9.683 -9.306 1.00 1.00 C ATOM 0 H THR A 63 -1.849 11.267 -5.730 1.00 1.00 H new ATOM 0 HA THR A 63 -3.398 9.139 -6.758 1.00 1.00 H new ATOM 0 HB THR A 63 -1.209 10.801 -8.007 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.075 12.080 -8.675 1.00 1.00 H new ATOM 0 HG21 THR A 63 -2.362 10.371 -10.143 1.00 1.00 H new ATOM 0 HG22 THR A 63 -1.755 8.872 -9.401 1.00 1.00 H new ATOM 0 HG23 THR A 63 -3.486 9.272 -9.310 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.129 8.540 -6.688 1.00 1.00 N ATOM 1026 CA TYR A 64 0.840 7.451 -6.653 1.00 1.00 C ATOM 1027 C TYR A 64 0.553 6.522 -5.477 1.00 1.00 C ATOM 1028 O TYR A 64 0.736 5.318 -5.592 1.00 1.00 O ATOM 1029 CB TYR A 64 2.274 7.987 -6.552 1.00 1.00 C ATOM 1030 CG TYR A 64 3.330 6.915 -6.761 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.675 6.025 -5.725 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.955 6.786 -8.013 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.612 5.005 -5.945 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.888 5.762 -8.240 1.00 1.00 C ATOM 1035 CZ TYR A 64 5.221 4.868 -7.206 1.00 1.00 C ATOM 1036 OH TYR A 64 6.132 3.883 -7.428 1.00 1.00 O ATOM 0 H TYR A 64 0.284 9.470 -6.622 1.00 1.00 H new ATOM 0 HA TYR A 64 0.746 6.892 -7.584 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.414 8.775 -7.293 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.417 8.442 -5.572 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.214 6.129 -4.754 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.716 7.479 -8.806 1.00 1.00 H new ATOM 0 HE1 TYR A 64 4.866 4.324 -5.146 1.00 1.00 H new ATOM 0 HE2 TYR A 64 5.351 5.660 -9.210 1.00 1.00 H new ATOM 0 HH TYR A 64 6.450 3.934 -8.353 1.00 1.00 H new ATOM 1046 N GLY A 65 0.116 7.058 -4.339 1.00 1.00 N ATOM 1047 CA GLY A 65 -0.129 6.292 -3.140 1.00 1.00 C ATOM 1048 C GLY A 65 -1.217 5.252 -3.365 1.00 1.00 C ATOM 1049 O GLY A 65 -1.019 4.078 -3.042 1.00 1.00 O ATOM 0 H GLY A 65 -0.078 8.054 -4.233 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.791 5.798 -2.826 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.423 6.961 -2.331 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.364 5.660 -3.912 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.456 4.734 -4.185 1.00 1.00 C ATOM 1055 C ALA A 66 -3.082 3.759 -5.304 1.00 1.00 C ATOM 1056 O ALA A 66 -3.389 2.571 -5.198 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.740 5.509 -4.482 1.00 1.00 C ATOM 0 H ALA A 66 -2.557 6.627 -4.173 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.641 4.127 -3.299 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.550 4.808 -4.685 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -5.000 6.125 -3.621 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.587 6.147 -5.352 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.363 4.238 -6.323 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.839 3.437 -7.430 1.00 1.00 C ATOM 1065 C GLU A 67 -0.978 2.301 -6.861 1.00 1.00 C ATOM 1066 O GLU A 67 -1.253 1.127 -7.118 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.043 4.342 -8.393 1.00 1.00 C ATOM 1068 CG GLU A 67 -0.516 3.630 -9.651 1.00 1.00 C ATOM 1069 CD GLU A 67 -1.612 3.184 -10.624 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -2.636 3.887 -10.755 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -1.410 2.153 -11.311 1.00 1.00 O ATOM 0 H GLU A 67 -2.123 5.226 -6.402 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.654 2.991 -8.000 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.679 5.172 -8.701 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.199 4.771 -7.853 1.00 1.00 H new ATOM 0 HG2 GLU A 67 0.169 4.298 -10.173 1.00 1.00 H new ATOM 0 HG3 GLU A 67 0.061 2.757 -9.346 1.00 1.00 H new ATOM 1078 N LEU A 68 0.032 2.661 -6.060 1.00 1.00 N ATOM 1079 CA LEU A 68 0.929 1.784 -5.317 1.00 1.00 C ATOM 1080 C LEU A 68 0.122 0.815 -4.480 1.00 1.00 C ATOM 1081 O LEU A 68 0.356 -0.382 -4.576 1.00 1.00 O ATOM 1082 CB LEU A 68 1.917 2.615 -4.471 1.00 1.00 C ATOM 1083 CG LEU A 68 2.786 1.787 -3.497 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.013 2.595 -3.051 1.00 1.00 C ATOM 1085 CD2 LEU A 68 1.990 1.352 -2.261 1.00 1.00 C ATOM 0 H LEU A 68 0.255 3.644 -5.907 1.00 1.00 H new ATOM 0 HA LEU A 68 1.527 1.196 -6.013 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.574 3.168 -5.143 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.354 3.352 -3.898 1.00 1.00 H new ATOM 0 HG LEU A 68 3.110 0.894 -4.032 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.613 1.997 -2.366 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.612 2.858 -3.923 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.686 3.505 -2.547 1.00 1.00 H new ATOM 0 HD21 LEU A 68 2.634 0.772 -1.599 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.627 2.234 -1.733 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.143 0.740 -2.571 1.00 1.00 H new ATOM 1097 N THR A 69 -0.803 1.303 -3.660 1.00 1.00 N ATOM 1098 CA THR A 69 -1.538 0.458 -2.739 1.00 1.00 C ATOM 1099 C THR A 69 -2.282 -0.621 -3.531 1.00 1.00 C ATOM 1100 O THR A 69 -2.052 -1.803 -3.279 1.00 1.00 O ATOM 1101 CB THR A 69 -2.398 1.335 -1.820 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.568 2.249 -1.135 1.00 1.00 O ATOM 1103 CG2 THR A 69 -3.166 0.536 -0.763 1.00 1.00 C ATOM 0 H THR A 69 -1.060 2.289 -3.618 1.00 1.00 H new ATOM 0 HA THR A 69 -0.880 -0.090 -2.065 1.00 1.00 H new ATOM 0 HB THR A 69 -3.122 1.834 -2.465 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.522 3.089 -1.637 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.753 1.217 -0.148 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.831 -0.173 -1.255 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.461 -0.006 -0.133 1.00 1.00 H new ATOM 1111 N ALA A 70 -3.074 -0.255 -4.545 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.753 -1.226 -5.398 1.00 1.00 C ATOM 1113 C ALA A 70 -2.737 -2.156 -6.086 1.00 1.00 C ATOM 1114 O ALA A 70 -3.054 -3.312 -6.343 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.571 -0.493 -6.475 1.00 1.00 C ATOM 0 H ALA A 70 -3.259 0.717 -4.793 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.414 -1.825 -4.771 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -5.075 -1.223 -7.108 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.313 0.146 -5.996 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.905 0.118 -7.085 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.535 -1.668 -6.424 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.489 -2.449 -7.093 1.00 1.00 C ATOM 1123 C ASN A 71 -0.014 -3.561 -6.183 1.00 1.00 C ATOM 1124 O ASN A 71 -0.040 -4.716 -6.569 1.00 1.00 O ATOM 1125 CB ASN A 71 0.726 -1.585 -7.477 1.00 1.00 C ATOM 1126 CG ASN A 71 1.621 -2.239 -8.527 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.545 -3.431 -8.802 1.00 1.00 O ATOM 1128 ND2 ASN A 71 2.523 -1.482 -9.120 1.00 1.00 N ATOM 0 H ASN A 71 -1.260 -0.704 -6.236 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.929 -2.854 -8.004 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.376 -0.624 -7.855 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.315 -1.380 -6.583 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.157 -1.888 -9.808 1.00 1.00 H new ATOM 0 HD22 ASN A 71 2.586 -0.490 -8.891 1.00 1.00 H new ATOM 1135 N VAL A 72 0.420 -3.210 -4.976 1.00 1.00 N ATOM 1136 CA VAL A 72 0.868 -4.163 -3.961 1.00 1.00 C ATOM 1137 C VAL A 72 -0.257 -5.167 -3.654 1.00 1.00 C ATOM 1138 O VAL A 72 -0.017 -6.374 -3.587 1.00 1.00 O ATOM 1139 CB VAL A 72 1.315 -3.411 -2.691 1.00 1.00 C ATOM 1140 CG1 VAL A 72 1.863 -4.385 -1.640 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.415 -2.360 -2.914 1.00 1.00 C ATOM 0 H VAL A 72 0.472 -2.239 -4.669 1.00 1.00 H new ATOM 0 HA VAL A 72 1.725 -4.721 -4.338 1.00 1.00 H new ATOM 0 HB VAL A 72 0.408 -2.903 -2.363 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.171 -3.829 -0.754 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.087 -5.101 -1.368 1.00 1.00 H new ATOM 0 HG13 VAL A 72 2.721 -4.918 -2.050 1.00 1.00 H new ATOM 0 HG21 VAL A 72 2.662 -1.885 -1.965 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.303 -2.844 -3.320 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.060 -1.605 -3.616 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.490 -4.675 -3.505 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.670 -5.501 -3.286 1.00 1.00 C ATOM 1153 C LEU A 73 -2.768 -6.545 -4.415 1.00 1.00 C ATOM 1154 O LEU A 73 -2.807 -7.750 -4.154 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.910 -4.582 -3.166 1.00 1.00 C ATOM 1156 CG LEU A 73 -4.002 -3.765 -1.857 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -5.016 -2.627 -2.011 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -4.408 -4.557 -0.622 1.00 1.00 C ATOM 0 H LEU A 73 -1.694 -3.676 -3.534 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.607 -6.061 -2.353 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.912 -3.890 -4.008 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.807 -5.195 -3.256 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.985 -3.407 -1.698 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -5.071 -2.060 -1.082 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.703 -1.968 -2.821 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.997 -3.043 -2.241 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -4.443 -3.892 0.241 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -5.392 -4.998 -0.780 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -3.680 -5.348 -0.442 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.735 -6.107 -5.674 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.785 -6.976 -6.850 1.00 1.00 C ATOM 1172 C ARG A 74 -1.534 -7.824 -7.039 1.00 1.00 C ATOM 1173 O ARG A 74 -1.643 -8.916 -7.592 1.00 1.00 O ATOM 1174 CB ARG A 74 -3.147 -6.111 -8.062 1.00 1.00 C ATOM 1175 CG ARG A 74 -3.413 -6.913 -9.350 1.00 1.00 C ATOM 1176 CD ARG A 74 -2.224 -6.856 -10.316 1.00 1.00 C ATOM 1177 NE ARG A 74 -1.961 -5.468 -10.729 1.00 1.00 N ATOM 1178 CZ ARG A 74 -0.779 -4.893 -10.963 1.00 1.00 C ATOM 1179 NH1 ARG A 74 0.344 -5.601 -10.912 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -0.727 -3.597 -11.249 1.00 1.00 N ATOM 0 H ARG A 74 -2.671 -5.117 -5.910 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.560 -7.729 -6.711 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -4.033 -5.523 -7.823 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -2.337 -5.406 -8.247 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -3.623 -7.951 -9.094 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -4.302 -6.521 -9.845 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -1.338 -7.273 -9.837 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -2.431 -7.470 -11.193 1.00 1.00 H new ATOM 0 HE ARG A 74 -2.781 -4.874 -10.851 1.00 1.00 H new ATOM 0 HH11 ARG A 74 0.310 -6.596 -10.692 1.00 1.00 H new ATOM 0 HH12 ARG A 74 1.240 -5.149 -11.093 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -1.586 -3.049 -11.289 1.00 1.00 H new ATOM 0 HH22 ARG A 74 0.172 -3.150 -11.429 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.367 -7.391 -6.576 1.00 1.00 N ATOM 1195 CA ASP A 75 0.890 -8.146 -6.584 1.00 1.00 C ATOM 1196 C ASP A 75 0.669 -9.396 -5.730 1.00 1.00 C ATOM 1197 O ASP A 75 1.047 -10.503 -6.113 1.00 1.00 O ATOM 1198 CB ASP A 75 2.023 -7.251 -6.057 1.00 1.00 C ATOM 1199 CG ASP A 75 3.413 -7.879 -6.008 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.643 -8.972 -6.568 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.292 -7.252 -5.374 1.00 1.00 O ATOM 0 H ASP A 75 -0.262 -6.463 -6.166 1.00 1.00 H new ATOM 0 HA ASP A 75 1.183 -8.456 -7.587 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.072 -6.359 -6.681 1.00 1.00 H new ATOM 0 HB3 ASP A 75 1.760 -6.923 -5.051 1.00 1.00 H new ATOM 1206 N MET A 76 -0.040 -9.241 -4.609 1.00 1.00 N ATOM 1207 CA MET A 76 -0.440 -10.347 -3.745 1.00 1.00 C ATOM 1208 C MET A 76 -1.606 -11.167 -4.335 1.00 1.00 C ATOM 1209 O MET A 76 -1.909 -12.237 -3.804 1.00 1.00 O ATOM 1210 CB MET A 76 -0.790 -9.791 -2.363 1.00 1.00 C ATOM 1211 CG MET A 76 0.470 -9.375 -1.605 1.00 1.00 C ATOM 1212 SD MET A 76 0.155 -8.269 -0.213 1.00 1.00 S ATOM 1213 CE MET A 76 -1.020 -9.243 0.760 1.00 1.00 C ATOM 0 H MET A 76 -0.355 -8.330 -4.274 1.00 1.00 H new ATOM 0 HA MET A 76 0.396 -11.041 -3.661 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.454 -8.933 -2.470 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.331 -10.544 -1.790 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.974 -10.270 -1.239 1.00 1.00 H new ATOM 0 HG3 MET A 76 1.154 -8.885 -2.298 1.00 1.00 H new ATOM 0 HE1 MET A 76 -1.168 -8.770 1.731 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.973 -9.296 0.233 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.628 -10.250 0.903 1.00 1.00 H new ATOM 1223 N GLY A 77 -2.247 -10.711 -5.418 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.296 -11.410 -6.166 1.00 1.00 C ATOM 1225 C GLY A 77 -4.695 -10.789 -6.074 1.00 1.00 C ATOM 1226 O GLY A 77 -5.602 -11.235 -6.778 1.00 1.00 O ATOM 0 H GLY A 77 -2.036 -9.796 -5.816 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -3.004 -11.452 -7.215 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -3.349 -12.438 -5.809 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.901 -9.780 -5.234 1.00 1.00 N ATOM 1231 CA LEU A 78 -6.184 -9.145 -4.954 1.00 1.00 C ATOM 1232 C LEU A 78 -6.517 -8.140 -6.058 1.00 1.00 C ATOM 1233 O LEU A 78 -5.738 -7.235 -6.326 1.00 1.00 O ATOM 1234 CB LEU A 78 -6.025 -8.489 -3.578 1.00 1.00 C ATOM 1235 CG LEU A 78 -7.146 -7.605 -3.023 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -6.679 -7.150 -1.643 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.379 -6.337 -3.852 1.00 1.00 C ATOM 0 H LEU A 78 -4.138 -9.361 -4.702 1.00 1.00 H new ATOM 0 HA LEU A 78 -7.015 -9.850 -4.937 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.852 -9.287 -2.855 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -5.119 -7.884 -3.609 1.00 1.00 H new ATOM 0 HG LEU A 78 -8.073 -8.179 -3.024 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -7.440 -6.512 -1.193 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -6.514 -8.021 -1.009 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.748 -6.591 -1.740 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.185 -5.754 -3.407 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -6.467 -5.741 -3.869 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.651 -6.613 -4.871 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.686 -8.248 -6.677 1.00 1.00 N ATOM 1250 CA GLN A 79 -8.146 -7.316 -7.721 1.00 1.00 C ATOM 1251 C GLN A 79 -9.373 -6.508 -7.279 1.00 1.00 C ATOM 1252 O GLN A 79 -9.628 -5.409 -7.771 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.397 -8.080 -9.029 1.00 1.00 C ATOM 1254 CG GLN A 79 -9.315 -9.296 -8.845 1.00 1.00 C ATOM 1255 CD GLN A 79 -9.505 -10.077 -10.137 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -10.121 -9.608 -11.095 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -9.005 -11.295 -10.200 1.00 1.00 N ATOM 0 H GLN A 79 -8.355 -8.990 -6.472 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.357 -6.585 -7.897 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.841 -7.403 -9.759 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.443 -8.410 -9.439 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.895 -9.954 -8.084 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -10.286 -8.963 -8.478 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -8.496 -11.679 -9.404 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -9.127 -11.853 -11.045 1.00 1.00 H new ATOM 1266 N GLU A 80 -10.130 -7.028 -6.321 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.378 -6.472 -5.829 1.00 1.00 C ATOM 1268 C GLU A 80 -11.183 -5.108 -5.147 1.00 1.00 C ATOM 1269 O GLU A 80 -11.668 -4.082 -5.628 1.00 1.00 O ATOM 1270 CB GLU A 80 -12.033 -7.515 -4.895 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.093 -8.164 -3.851 1.00 1.00 C ATOM 1272 CD GLU A 80 -10.564 -9.539 -4.258 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -9.869 -9.636 -5.299 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.810 -10.496 -3.488 1.00 1.00 O ATOM 0 H GLU A 80 -9.875 -7.893 -5.844 1.00 1.00 H new ATOM 0 HA GLU A 80 -12.044 -6.270 -6.668 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.857 -7.036 -4.367 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.465 -8.305 -5.509 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.248 -7.499 -3.676 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.627 -8.257 -2.905 1.00 1.00 H new ATOM 1281 N MET A 81 -10.484 -5.089 -4.018 1.00 1.00 N ATOM 1282 CA MET A 81 -10.097 -3.906 -3.271 1.00 1.00 C ATOM 1283 C MET A 81 -9.134 -3.062 -4.086 1.00 1.00 C ATOM 1284 O MET A 81 -9.216 -1.859 -3.960 1.00 1.00 O ATOM 1285 CB MET A 81 -9.676 -4.348 -1.864 1.00 1.00 C ATOM 1286 CG MET A 81 -8.780 -3.378 -1.103 1.00 1.00 C ATOM 1287 SD MET A 81 -8.941 -3.496 0.697 1.00 1.00 S ATOM 1288 CE MET A 81 -8.596 -5.239 1.033 1.00 1.00 C ATOM 0 H MET A 81 -10.156 -5.949 -3.578 1.00 1.00 H new ATOM 0 HA MET A 81 -10.917 -3.208 -3.100 1.00 1.00 H new ATOM 0 HB2 MET A 81 -10.576 -4.521 -1.274 1.00 1.00 H new ATOM 0 HB3 MET A 81 -9.159 -5.304 -1.944 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.742 -3.564 -1.379 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.015 -2.360 -1.414 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.719 -5.436 2.098 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.288 -5.863 0.467 1.00 1.00 H new ATOM 0 HE3 MET A 81 -7.573 -5.471 0.737 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.304 -3.611 -4.971 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.459 -2.803 -5.845 1.00 1.00 C ATOM 1300 C ALA A 82 -8.346 -1.901 -6.725 1.00 1.00 C ATOM 1301 O ALA A 82 -8.155 -0.680 -6.757 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.558 -3.722 -6.677 1.00 1.00 C ATOM 0 H ALA A 82 -8.199 -4.617 -5.101 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.811 -2.154 -5.256 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.927 -3.119 -7.330 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.930 -4.315 -6.012 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.175 -4.386 -7.282 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.353 -2.490 -7.384 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.263 -1.747 -8.243 1.00 1.00 C ATOM 1310 C GLY A 83 -11.064 -0.728 -7.438 1.00 1.00 C ATOM 1311 O GLY A 83 -11.038 0.463 -7.750 1.00 1.00 O ATOM 0 H GLY A 83 -9.553 -3.489 -7.332 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.698 -1.237 -9.023 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.943 -2.437 -8.742 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.744 -1.173 -6.376 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.527 -0.285 -5.516 1.00 1.00 C ATOM 1317 C GLN A 84 -11.684 0.810 -4.862 1.00 1.00 C ATOM 1318 O GLN A 84 -12.182 1.913 -4.679 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.290 -1.087 -4.451 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.589 -1.691 -5.004 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.677 -0.636 -5.226 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -15.908 0.229 -4.388 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.378 -0.664 -6.347 1.00 1.00 N ATOM 0 H GLN A 84 -11.766 -2.152 -6.091 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.245 0.217 -6.165 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.652 -1.885 -4.073 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.523 -0.438 -3.607 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.379 -2.196 -5.947 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.957 -2.448 -4.312 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -16.191 -1.381 -7.048 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -17.106 0.031 -6.511 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.426 0.547 -4.524 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.505 1.518 -3.948 1.00 1.00 C ATOM 1334 C LEU A 85 -9.232 2.627 -4.949 1.00 1.00 C ATOM 1335 O LEU A 85 -9.321 3.803 -4.585 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.208 0.803 -3.581 1.00 1.00 C ATOM 1337 CG LEU A 85 -7.106 1.699 -3.034 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.333 1.958 -1.562 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.812 0.917 -3.119 1.00 1.00 C ATOM 0 H LEU A 85 -10.008 -0.375 -4.647 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.942 1.963 -3.054 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.432 0.036 -2.840 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.832 0.290 -4.466 1.00 1.00 H new ATOM 0 HG LEU A 85 -7.086 2.634 -3.593 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.540 2.600 -1.179 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.296 2.449 -1.423 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.327 1.012 -1.021 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.993 1.526 -2.735 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.897 0.007 -2.525 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.613 0.655 -4.158 1.00 1.00 H new ATOM 1351 N GLN A 86 -8.894 2.265 -6.194 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.725 3.265 -7.240 1.00 1.00 C ATOM 1353 C GLN A 86 -10.036 4.050 -7.361 1.00 1.00 C ATOM 1354 O GLN A 86 -10.033 5.273 -7.237 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.347 2.598 -8.570 1.00 1.00 C ATOM 1356 CG GLN A 86 -7.950 3.645 -9.630 1.00 1.00 C ATOM 1357 CD GLN A 86 -8.185 3.173 -11.064 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -8.446 2.003 -11.334 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -8.145 4.073 -12.027 1.00 1.00 N ATOM 0 H GLN A 86 -8.736 1.302 -6.492 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.913 3.946 -6.985 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.519 1.907 -8.410 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.188 2.008 -8.935 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -8.518 4.559 -9.458 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -6.897 3.896 -9.506 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -7.929 5.045 -11.808 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -8.330 3.797 -12.991 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.153 3.339 -7.538 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.482 3.886 -7.768 1.00 1.00 C ATOM 1370 C ALA A 87 -13.020 4.713 -6.586 1.00 1.00 C ATOM 1371 O ALA A 87 -14.005 5.442 -6.741 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.420 2.720 -8.089 1.00 1.00 C ATOM 0 H ALA A 87 -11.149 2.319 -7.523 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.425 4.585 -8.602 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.426 3.100 -8.266 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.065 2.202 -8.980 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.438 2.025 -7.249 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.431 4.572 -5.395 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.730 5.346 -4.200 1.00 1.00 C ATOM 1380 C ALA A 88 -11.851 6.595 -4.192 1.00 1.00 C ATOM 1381 O ALA A 88 -12.330 7.687 -3.888 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.498 4.504 -2.942 1.00 1.00 C ATOM 0 H ALA A 88 -11.698 3.880 -5.237 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.779 5.643 -4.206 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.727 5.100 -2.058 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -13.145 3.627 -2.966 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.456 4.185 -2.905 1.00 1.00 H new ATOM 1388 N THR A 89 -10.580 6.458 -4.570 1.00 1.00 N ATOM 1389 CA THR A 89 -9.650 7.574 -4.652 1.00 1.00 C ATOM 1390 C THR A 89 -10.019 8.548 -5.773 1.00 1.00 C ATOM 1391 O THR A 89 -9.786 9.753 -5.652 1.00 1.00 O ATOM 1392 CB THR A 89 -8.212 7.041 -4.792 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.941 6.118 -3.755 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.199 8.191 -4.715 1.00 1.00 C ATOM 0 H THR A 89 -10.168 5.561 -4.829 1.00 1.00 H new ATOM 0 HA THR A 89 -9.714 8.148 -3.728 1.00 1.00 H new ATOM 0 HB THR A 89 -8.121 6.550 -5.761 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.385 5.266 -3.951 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.189 7.794 -4.816 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.392 8.900 -5.520 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.295 8.697 -3.754 1.00 1.00 H new ATOM 1402 N HIS A 90 -10.601 8.040 -6.850 1.00 1.00 N ATOM 1403 CA HIS A 90 -11.014 8.769 -8.029 1.00 1.00 C ATOM 1404 C HIS A 90 -12.025 7.931 -8.809 1.00 1.00 C ATOM 1405 O HIS A 90 -11.665 6.909 -9.393 1.00 1.00 O ATOM 1406 CB HIS A 90 -9.796 9.093 -8.912 1.00 1.00 C ATOM 1407 CG HIS A 90 -10.172 9.608 -10.280 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -10.953 10.709 -10.556 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -9.886 8.994 -11.471 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -11.129 10.767 -11.885 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -10.473 9.756 -12.491 1.00 1.00 N ATOM 0 H HIS A 90 -10.808 7.044 -6.923 1.00 1.00 H new ATOM 0 HA HIS A 90 -11.477 9.709 -7.728 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -9.178 9.836 -8.408 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -9.188 8.196 -9.024 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -9.313 8.088 -11.600 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -11.713 11.517 -12.397 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -10.415 9.580 -13.494 1.00 1.00 H new ATOM 1419 N GLN A 91 -13.295 8.322 -8.736 1.00 1.00 N ATOM 1420 CA GLN A 91 -14.354 7.704 -9.521 1.00 1.00 C ATOM 1421 C GLN A 91 -14.340 8.445 -10.848 1.00 1.00 C ATOM 1422 O GLN A 91 -14.217 9.691 -10.829 1.00 1.00 O ATOM 1423 CB GLN A 91 -15.723 7.802 -8.822 1.00 1.00 C ATOM 1424 CG GLN A 91 -16.839 7.220 -9.712 1.00 1.00 C ATOM 1425 CD GLN A 91 -18.153 6.924 -8.986 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -18.264 6.993 -7.762 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -19.196 6.567 -9.712 1.00 1.00 N ATOM 1428 OXT GLN A 91 -14.461 7.791 -11.900 1.00 1.00 O ATOM 0 H GLN A 91 -13.616 9.077 -8.130 1.00 1.00 H new ATOM 0 HA GLN A 91 -14.187 6.635 -9.652 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -15.691 7.265 -7.874 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.944 8.844 -8.590 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -17.039 7.920 -10.523 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -16.477 6.298 -10.168 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -19.114 6.507 -10.727 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -20.084 6.351 -9.258 1.00 1.00 H new TER 1437 GLN A 91