USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 20 THR OG1 : rot 86:sc= 0.248 USER MOD Set 1.2: A 51 TYR OH : rot -137:sc= -0.595 USER MOD Single : A 1 ALA N :NH3+ -111:sc= -0.139 (180deg=-0.493!) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= 0.146 (180deg=-0.514) USER MOD Single : A 4 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 8 THR OG1 : rot -31:sc= 1.02 USER MOD Single : A 11 THR OG1 : rot -158:sc= -2.52! USER MOD Single : A 14 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.024) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 0.479 (180deg=0.237) USER MOD Single : A 18 GLN : amide:sc= -0.947 K(o=-0.95,f=-4.4!) USER MOD Single : A 22 SER OG : rot 89:sc= 1.34 USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.18) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.016 (180deg=-0.31) USER MOD Single : A 30 THR OG1 : rot -61:sc= 0.623 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -146:sc= -0.465 (180deg=-1.79!) USER MOD Single : A 39 SER OG : rot 66:sc= 1.23 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.00029 USER MOD Single : A 47 GLN : amide:sc= -2.35! K(o=-2.4!,f=0) USER MOD Single : A 48 MET CE :methyl 169:sc= -4.3! (180deg=-4.67!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0116 K(o=-0.012,f=-0.59) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.59) USER MOD Single : A 69 THR OG1 : rot 130:sc= -1.2 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.1) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.136 7.633 -6.895 1.00 0.00 N ATOM 2 CA ALA A 1 -11.986 8.471 -8.071 1.00 0.00 C ATOM 3 C ALA A 1 -11.010 9.613 -7.797 1.00 0.00 C ATOM 4 O ALA A 1 -9.925 9.675 -8.388 1.00 0.00 O ATOM 5 CB ALA A 1 -13.340 9.005 -8.531 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.704 6.704 -7.074 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.665 8.084 -6.085 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.147 7.510 -6.683 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.575 7.862 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.204 9.630 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.996 8.170 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.788 9.597 -7.733 1.00 0.00 H new ATOM 13 N ASP A 2 -11.377 10.499 -6.892 1.00 0.00 N ATOM 14 CA ASP A 2 -10.544 11.641 -6.574 1.00 0.00 C ATOM 15 C ASP A 2 -9.964 11.431 -5.169 1.00 0.00 C ATOM 16 O ASP A 2 -10.029 10.324 -4.618 1.00 0.00 O ATOM 17 CB ASP A 2 -11.381 12.953 -6.644 1.00 0.00 C ATOM 18 CG ASP A 2 -10.536 14.227 -6.804 1.00 0.00 C ATOM 19 OD1 ASP A 2 -10.421 14.734 -7.942 1.00 0.00 O ATOM 20 OD2 ASP A 2 -9.965 14.740 -5.801 1.00 0.00 O ATOM 0 H ASP A 2 -12.248 10.449 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.731 11.733 -7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.077 12.884 -7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.980 13.038 -5.737 1.00 0.00 H new ATOM 25 N LYS A 3 -9.431 12.471 -4.606 1.00 0.00 N ATOM 26 CA LYS A 3 -8.806 12.463 -3.314 1.00 0.00 C ATOM 27 C LYS A 3 -9.853 12.683 -2.241 1.00 0.00 C ATOM 28 O LYS A 3 -10.980 13.075 -2.543 1.00 0.00 O ATOM 29 CB LYS A 3 -7.786 13.587 -3.272 1.00 0.00 C ATOM 30 CG LYS A 3 -6.613 13.396 -4.216 1.00 0.00 C ATOM 31 CD LYS A 3 -5.772 14.663 -4.336 1.00 0.00 C ATOM 32 CE LYS A 3 -6.318 15.665 -5.378 1.00 0.00 C ATOM 33 NZ LYS A 3 -7.704 16.177 -5.123 1.00 0.00 N ATOM 0 H LYS A 3 -9.418 13.389 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.317 11.505 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.285 14.525 -3.515 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.408 13.682 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.988 12.577 -3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.982 13.109 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.724 15.152 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.752 14.389 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.639 16.516 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.301 15.188 -6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.862 17.043 -5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.398 15.455 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.815 16.388 -4.111 1.00 0.00 H new ATOM 47 N GLN A 4 -9.490 12.442 -1.013 1.00 0.00 N ATOM 48 CA GLN A 4 -10.400 12.629 0.082 1.00 0.00 C ATOM 49 C GLN A 4 -10.125 14.019 0.634 1.00 0.00 C ATOM 50 O GLN A 4 -9.086 14.250 1.252 1.00 0.00 O ATOM 51 CB GLN A 4 -10.146 11.558 1.143 1.00 0.00 C ATOM 52 CG GLN A 4 -11.332 11.236 2.047 1.00 0.00 C ATOM 53 CD GLN A 4 -11.876 12.404 2.826 1.00 0.00 C ATOM 54 OE1 GLN A 4 -11.440 12.683 3.926 1.00 0.00 O ATOM 55 NE2 GLN A 4 -12.854 13.060 2.276 1.00 0.00 N ATOM 0 H GLN A 4 -8.563 12.113 -0.744 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.441 12.541 -0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.834 10.642 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.312 11.880 1.767 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.134 10.822 1.435 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.033 10.458 2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.190 12.793 1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.285 13.841 2.770 1.00 0.00 H new ATOM 64 N THR A 5 -11.002 14.929 0.352 1.00 0.00 N ATOM 65 CA THR A 5 -10.817 16.302 0.706 1.00 0.00 C ATOM 66 C THR A 5 -11.581 16.702 1.976 1.00 0.00 C ATOM 67 O THR A 5 -12.526 16.010 2.394 1.00 0.00 O ATOM 68 CB THR A 5 -11.250 17.158 -0.476 1.00 0.00 C ATOM 69 OG1 THR A 5 -12.515 16.675 -0.953 1.00 0.00 O ATOM 70 CG2 THR A 5 -10.239 17.047 -1.590 1.00 0.00 C ATOM 0 H THR A 5 -11.877 14.738 -0.136 1.00 0.00 H new ATOM 0 HA THR A 5 -9.763 16.461 0.934 1.00 0.00 H new ATOM 0 HB THR A 5 -11.329 18.199 -0.161 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.807 17.219 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.556 17.662 -2.432 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.267 17.391 -1.235 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.162 16.008 -1.909 1.00 0.00 H new ATOM 78 N HIS A 6 -11.145 17.813 2.589 1.00 0.00 N ATOM 79 CA HIS A 6 -11.731 18.411 3.815 1.00 0.00 C ATOM 80 C HIS A 6 -11.383 17.613 5.059 1.00 0.00 C ATOM 81 O HIS A 6 -10.814 18.145 6.014 1.00 0.00 O ATOM 82 CB HIS A 6 -13.254 18.668 3.704 1.00 0.00 C ATOM 83 CG HIS A 6 -13.622 19.698 2.668 1.00 0.00 C ATOM 84 ND1 HIS A 6 -14.406 19.443 1.558 1.00 0.00 N ATOM 85 CD2 HIS A 6 -13.313 21.017 2.602 1.00 0.00 C ATOM 86 CE1 HIS A 6 -14.546 20.579 0.872 1.00 0.00 C ATOM 87 NE2 HIS A 6 -13.901 21.572 1.464 1.00 0.00 N ATOM 0 H HIS A 6 -10.348 18.344 2.239 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.268 19.393 3.916 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.755 17.730 3.464 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -13.630 18.992 4.674 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.707 21.554 3.317 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -15.110 20.675 -0.044 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -13.845 22.542 1.153 1.00 0.00 H new ATOM 95 N GLU A 7 -11.698 16.353 5.050 1.00 0.00 N ATOM 96 CA GLU A 7 -11.334 15.488 6.132 1.00 0.00 C ATOM 97 C GLU A 7 -10.044 14.793 5.729 1.00 0.00 C ATOM 98 O GLU A 7 -9.464 15.107 4.679 1.00 0.00 O ATOM 99 CB GLU A 7 -12.428 14.445 6.406 1.00 0.00 C ATOM 100 CG GLU A 7 -13.801 15.017 6.708 1.00 0.00 C ATOM 101 CD GLU A 7 -14.813 13.940 7.020 1.00 0.00 C ATOM 102 OE1 GLU A 7 -15.203 13.784 8.218 1.00 0.00 O ATOM 103 OE2 GLU A 7 -15.239 13.225 6.099 1.00 0.00 O ATOM 0 H GLU A 7 -12.212 15.897 4.296 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.206 16.066 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.507 13.788 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.116 13.826 7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.729 15.701 7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.145 15.600 5.854 1.00 0.00 H new ATOM 110 N THR A 8 -9.577 13.903 6.542 1.00 0.00 N ATOM 111 CA THR A 8 -8.420 13.129 6.192 1.00 0.00 C ATOM 112 C THR A 8 -8.691 11.657 6.436 1.00 0.00 C ATOM 113 O THR A 8 -7.786 10.822 6.452 1.00 0.00 O ATOM 114 CB THR A 8 -7.143 13.629 6.915 1.00 0.00 C ATOM 115 OG1 THR A 8 -6.008 12.782 6.637 1.00 0.00 O ATOM 116 CG2 THR A 8 -7.387 13.685 8.370 1.00 0.00 C ATOM 0 H THR A 8 -9.976 13.690 7.456 1.00 0.00 H new ATOM 0 HA THR A 8 -8.223 13.262 5.128 1.00 0.00 H new ATOM 0 HB THR A 8 -6.911 14.626 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.313 11.862 6.496 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.488 14.037 8.876 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.210 14.369 8.575 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.643 12.690 8.735 1.00 0.00 H new ATOM 124 N GLU A 9 -9.943 11.338 6.555 1.00 0.00 N ATOM 125 CA GLU A 9 -10.340 9.997 6.797 1.00 0.00 C ATOM 126 C GLU A 9 -10.888 9.439 5.524 1.00 0.00 C ATOM 127 O GLU A 9 -11.946 9.858 5.054 1.00 0.00 O ATOM 128 CB GLU A 9 -11.357 9.928 7.914 1.00 0.00 C ATOM 129 CG GLU A 9 -10.864 10.486 9.242 1.00 0.00 C ATOM 130 CD GLU A 9 -9.522 9.933 9.672 1.00 0.00 C ATOM 131 OE1 GLU A 9 -8.622 10.730 10.006 1.00 0.00 O ATOM 132 OE2 GLU A 9 -9.335 8.704 9.683 1.00 0.00 O ATOM 0 H GLU A 9 -10.713 12.003 6.486 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.483 9.404 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.250 10.475 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.653 8.889 8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.793 11.571 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.602 10.268 10.014 1.00 0.00 H new ATOM 139 N LEU A 10 -10.179 8.516 4.960 1.00 0.00 N ATOM 140 CA LEU A 10 -10.518 8.018 3.658 1.00 0.00 C ATOM 141 C LEU A 10 -11.256 6.728 3.775 1.00 0.00 C ATOM 142 O LEU A 10 -11.299 6.134 4.838 1.00 0.00 O ATOM 143 CB LEU A 10 -9.283 7.843 2.771 1.00 0.00 C ATOM 144 CG LEU A 10 -8.108 8.788 3.001 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.197 8.229 4.084 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.348 9.006 1.709 1.00 0.00 C ATOM 0 H LEU A 10 -9.355 8.086 5.380 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.160 8.759 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.922 6.822 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.598 7.945 1.733 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.486 9.754 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.360 8.909 4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.758 8.122 5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.819 7.255 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.512 9.682 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.970 8.051 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.014 9.442 0.964 1.00 0.00 H new ATOM 158 N THR A 11 -11.816 6.287 2.695 1.00 0.00 N ATOM 159 CA THR A 11 -12.598 5.090 2.725 1.00 0.00 C ATOM 160 C THR A 11 -11.733 3.932 2.305 1.00 0.00 C ATOM 161 O THR A 11 -10.585 4.138 1.905 1.00 0.00 O ATOM 162 CB THR A 11 -13.837 5.187 1.795 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.411 5.104 0.428 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.515 6.528 1.968 1.00 0.00 C ATOM 0 H THR A 11 -11.748 6.736 1.782 1.00 0.00 H new ATOM 0 HA THR A 11 -12.963 4.943 3.741 1.00 0.00 H new ATOM 0 HB THR A 11 -14.521 4.377 2.048 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.093 5.502 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.383 6.585 1.311 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.836 6.643 3.003 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.816 7.325 1.715 1.00 0.00 H new ATOM 172 N PHE A 12 -12.271 2.736 2.373 1.00 0.00 N ATOM 173 CA PHE A 12 -11.555 1.559 1.978 1.00 0.00 C ATOM 174 C PHE A 12 -11.172 1.652 0.504 1.00 0.00 C ATOM 175 O PHE A 12 -10.070 1.326 0.091 1.00 0.00 O ATOM 176 CB PHE A 12 -12.390 0.298 2.277 1.00 0.00 C ATOM 177 CG PHE A 12 -11.745 -0.989 1.866 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.407 -1.883 1.045 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.470 -1.296 2.283 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.800 -3.058 0.652 1.00 0.00 C ATOM 181 CE2 PHE A 12 -9.863 -2.467 1.896 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.523 -3.345 1.083 1.00 0.00 C ATOM 0 H PHE A 12 -13.219 2.558 2.705 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.634 1.484 2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.596 0.260 3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.351 0.386 1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.409 -1.660 0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.939 -0.607 2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.324 -3.750 0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.863 -2.694 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.044 -4.264 0.778 1.00 0.00 H new ATOM 192 N ASP A 13 -12.111 2.192 -0.236 1.00 0.00 N ATOM 193 CA ASP A 13 -11.915 2.487 -1.648 1.00 0.00 C ATOM 194 C ASP A 13 -10.924 3.583 -1.891 1.00 0.00 C ATOM 195 O ASP A 13 -10.112 3.479 -2.786 1.00 0.00 O ATOM 196 CB ASP A 13 -13.210 2.698 -2.424 1.00 0.00 C ATOM 197 CG ASP A 13 -13.945 1.397 -2.651 1.00 0.00 C ATOM 198 OD1 ASP A 13 -14.907 1.100 -1.917 1.00 0.00 O ATOM 199 OD2 ASP A 13 -13.549 0.615 -3.549 1.00 0.00 O ATOM 0 H ASP A 13 -13.035 2.442 0.117 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.475 1.576 -2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.853 3.388 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.987 3.162 -3.385 1.00 0.00 H new ATOM 204 N GLN A 14 -10.915 4.583 -1.021 1.00 0.00 N ATOM 205 CA GLN A 14 -10.017 5.719 -1.191 1.00 0.00 C ATOM 206 C GLN A 14 -8.609 5.280 -0.855 1.00 0.00 C ATOM 207 O GLN A 14 -7.642 5.714 -1.465 1.00 0.00 O ATOM 208 CB GLN A 14 -10.416 6.899 -0.315 1.00 0.00 C ATOM 209 CG GLN A 14 -11.814 7.463 -0.567 1.00 0.00 C ATOM 210 CD GLN A 14 -12.028 8.004 -1.965 1.00 0.00 C ATOM 211 OE1 GLN A 14 -13.134 7.956 -2.495 1.00 0.00 O ATOM 212 NE2 GLN A 14 -11.007 8.548 -2.545 1.00 0.00 N ATOM 0 H GLN A 14 -11.514 4.632 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.077 6.053 -2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.350 6.593 0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.689 7.698 -0.460 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.548 6.680 -0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.006 8.260 0.151 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.103 8.569 -2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.106 8.956 -3.475 1.00 0.00 H new ATOM 221 N VAL A 15 -8.510 4.429 0.147 1.00 0.00 N ATOM 222 CA VAL A 15 -7.251 3.951 0.615 1.00 0.00 C ATOM 223 C VAL A 15 -6.694 2.995 -0.383 1.00 0.00 C ATOM 224 O VAL A 15 -5.494 3.004 -0.663 1.00 0.00 O ATOM 225 CB VAL A 15 -7.315 3.341 2.021 1.00 0.00 C ATOM 226 CG1 VAL A 15 -5.993 2.698 2.349 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.593 4.435 3.032 1.00 0.00 C ATOM 0 H VAL A 15 -9.313 4.056 0.653 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.582 4.806 0.714 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.108 2.594 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.037 2.264 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.779 1.914 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.204 3.450 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.639 4.003 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.796 5.177 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.545 4.912 2.799 1.00 0.00 H new ATOM 237 N LYS A 16 -7.541 2.177 -0.926 1.00 0.00 N ATOM 238 CA LYS A 16 -7.155 1.324 -1.996 1.00 0.00 C ATOM 239 C LYS A 16 -6.599 2.158 -3.129 1.00 0.00 C ATOM 240 O LYS A 16 -5.540 1.882 -3.631 1.00 0.00 O ATOM 241 CB LYS A 16 -8.339 0.478 -2.468 1.00 0.00 C ATOM 242 CG LYS A 16 -8.595 -0.790 -1.639 1.00 0.00 C ATOM 243 CD LYS A 16 -9.671 -1.701 -2.251 1.00 0.00 C ATOM 244 CE LYS A 16 -11.021 -1.023 -2.305 1.00 0.00 C ATOM 245 NZ LYS A 16 -12.071 -1.864 -2.918 1.00 0.00 N ATOM 0 H LYS A 16 -8.515 2.085 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.381 0.641 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.238 1.094 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.171 0.189 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.664 -1.349 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.899 -0.504 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.371 -1.992 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.748 -2.616 -1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.325 -0.753 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.932 -0.095 -2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.834 -1.257 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.663 -2.413 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.456 -2.514 -2.203 1.00 0.00 H new ATOM 259 N GLU A 17 -7.282 3.215 -3.470 1.00 0.00 N ATOM 260 CA GLU A 17 -6.802 4.105 -4.487 1.00 0.00 C ATOM 261 C GLU A 17 -5.469 4.795 -4.118 1.00 0.00 C ATOM 262 O GLU A 17 -4.678 5.100 -5.018 1.00 0.00 O ATOM 263 CB GLU A 17 -7.864 5.104 -4.918 1.00 0.00 C ATOM 264 CG GLU A 17 -9.074 4.443 -5.543 1.00 0.00 C ATOM 265 CD GLU A 17 -10.110 5.429 -5.989 1.00 0.00 C ATOM 266 OE1 GLU A 17 -10.206 5.701 -7.206 1.00 0.00 O ATOM 267 OE2 GLU A 17 -10.849 5.965 -5.158 1.00 0.00 O ATOM 0 H GLU A 17 -8.176 3.481 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.580 3.478 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.181 5.686 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.429 5.804 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.755 3.847 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.519 3.756 -4.823 1.00 0.00 H new ATOM 274 N GLN A 18 -5.180 5.001 -2.793 1.00 0.00 N ATOM 275 CA GLN A 18 -3.935 5.653 -2.398 1.00 0.00 C ATOM 276 C GLN A 18 -2.808 4.705 -2.644 1.00 0.00 C ATOM 277 O GLN A 18 -1.819 5.019 -3.311 1.00 0.00 O ATOM 278 CB GLN A 18 -3.954 6.248 -0.952 1.00 0.00 C ATOM 279 CG GLN A 18 -3.832 5.275 0.192 1.00 0.00 C ATOM 280 CD GLN A 18 -3.701 5.948 1.542 1.00 0.00 C ATOM 281 OE1 GLN A 18 -2.604 6.194 2.016 1.00 0.00 O ATOM 282 NE2 GLN A 18 -4.806 6.268 2.156 1.00 0.00 N ATOM 0 H GLN A 18 -5.786 4.726 -2.020 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.796 6.539 -3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.140 6.968 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.884 6.803 -0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.707 4.625 0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.963 4.638 0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.707 6.048 1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.769 6.738 3.060 1.00 0.00 H new ATOM 291 N LEU A 19 -3.001 3.534 -2.136 1.00 0.00 N ATOM 292 CA LEU A 19 -2.061 2.484 -2.176 1.00 0.00 C ATOM 293 C LEU A 19 -1.823 2.005 -3.591 1.00 0.00 C ATOM 294 O LEU A 19 -0.687 1.770 -3.986 1.00 0.00 O ATOM 295 CB LEU A 19 -2.572 1.382 -1.308 1.00 0.00 C ATOM 296 CG LEU A 19 -2.483 1.590 0.204 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.081 0.415 0.917 1.00 0.00 C ATOM 298 CD2 LEU A 19 -1.040 1.799 0.652 1.00 0.00 C ATOM 0 H LEU A 19 -3.866 3.279 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.097 2.835 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.617 1.206 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.025 0.473 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.045 2.489 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.014 0.570 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.127 0.309 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.537 -0.490 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.012 1.944 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.447 0.924 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.629 2.679 0.157 1.00 0.00 H new ATOM 310 N THR A 20 -2.888 1.922 -4.344 1.00 0.00 N ATOM 311 CA THR A 20 -2.828 1.535 -5.736 1.00 0.00 C ATOM 312 C THR A 20 -1.933 2.488 -6.507 1.00 0.00 C ATOM 313 O THR A 20 -0.978 2.066 -7.129 1.00 0.00 O ATOM 314 CB THR A 20 -4.256 1.533 -6.342 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.998 0.424 -5.841 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.262 1.553 -7.867 1.00 0.00 C ATOM 0 H THR A 20 -3.831 2.122 -4.010 1.00 0.00 H new ATOM 0 HA THR A 20 -2.410 0.531 -5.808 1.00 0.00 H new ATOM 0 HB THR A 20 -4.737 2.460 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.419 0.669 -4.990 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.291 1.551 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.756 2.451 -8.221 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.744 0.672 -8.244 1.00 0.00 H new ATOM 324 N GLU A 21 -2.183 3.765 -6.337 1.00 0.00 N ATOM 325 CA GLU A 21 -1.495 4.818 -7.068 1.00 0.00 C ATOM 326 C GLU A 21 0.001 4.770 -6.716 1.00 0.00 C ATOM 327 O GLU A 21 0.868 4.789 -7.574 1.00 0.00 O ATOM 328 CB GLU A 21 -2.147 6.132 -6.633 1.00 0.00 C ATOM 329 CG GLU A 21 -1.981 7.345 -7.540 1.00 0.00 C ATOM 330 CD GLU A 21 -0.578 7.842 -7.714 1.00 0.00 C ATOM 331 OE1 GLU A 21 0.042 7.525 -8.744 1.00 0.00 O ATOM 332 OE2 GLU A 21 -0.092 8.597 -6.833 1.00 0.00 O ATOM 0 H GLU A 21 -2.880 4.113 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.574 4.707 -8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.215 5.951 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.752 6.392 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.383 7.098 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.588 8.158 -7.142 1.00 0.00 H new ATOM 339 N SER A 22 0.243 4.602 -5.448 1.00 0.00 N ATOM 340 CA SER A 22 1.592 4.588 -4.881 1.00 0.00 C ATOM 341 C SER A 22 2.390 3.387 -5.377 1.00 0.00 C ATOM 342 O SER A 22 3.553 3.521 -5.783 1.00 0.00 O ATOM 343 CB SER A 22 1.521 4.587 -3.357 1.00 0.00 C ATOM 344 OG SER A 22 0.742 5.693 -2.895 1.00 0.00 O ATOM 0 H SER A 22 -0.493 4.467 -4.754 1.00 0.00 H new ATOM 0 HA SER A 22 2.107 5.490 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.081 3.653 -3.007 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.526 4.642 -2.939 1.00 0.00 H new ATOM 0 HG SER A 22 -0.201 5.431 -2.846 1.00 0.00 H new ATOM 350 N GLY A 23 1.756 2.220 -5.381 1.00 0.00 N ATOM 351 CA GLY A 23 2.390 1.019 -5.863 1.00 0.00 C ATOM 352 C GLY A 23 2.715 1.137 -7.320 1.00 0.00 C ATOM 353 O GLY A 23 3.717 0.644 -7.778 1.00 0.00 O ATOM 0 H GLY A 23 0.799 2.090 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.302 0.831 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.732 0.165 -5.700 1.00 0.00 H new ATOM 357 N LYS A 24 1.852 1.824 -8.010 1.00 0.00 N ATOM 358 CA LYS A 24 2.009 2.091 -9.413 1.00 0.00 C ATOM 359 C LYS A 24 3.168 3.017 -9.721 1.00 0.00 C ATOM 360 O LYS A 24 3.755 2.940 -10.787 1.00 0.00 O ATOM 361 CB LYS A 24 0.719 2.603 -9.958 1.00 0.00 C ATOM 362 CG LYS A 24 -0.360 1.540 -9.930 1.00 0.00 C ATOM 363 CD LYS A 24 -0.158 0.503 -11.027 1.00 0.00 C ATOM 364 CE LYS A 24 -0.477 1.083 -12.376 1.00 0.00 C ATOM 365 NZ LYS A 24 0.010 0.258 -13.494 1.00 0.00 N ATOM 0 H LYS A 24 1.004 2.222 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 24 2.264 1.155 -9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.395 3.466 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.867 2.945 -10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.359 1.046 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.337 2.010 -10.048 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.873 0.149 -11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.795 -0.361 -10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.557 1.204 -12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.038 2.078 -12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.285 0.685 -14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.048 0.205 -13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.388 -0.700 -13.418 1.00 0.00 H new ATOM 379 N LYS A 25 3.491 3.897 -8.800 1.00 0.00 N ATOM 380 CA LYS A 25 4.597 4.809 -8.965 1.00 0.00 C ATOM 381 C LYS A 25 5.902 4.074 -8.796 1.00 0.00 C ATOM 382 O LYS A 25 6.845 4.246 -9.570 1.00 0.00 O ATOM 383 CB LYS A 25 4.505 5.923 -7.915 1.00 0.00 C ATOM 384 CG LYS A 25 3.221 6.730 -7.982 1.00 0.00 C ATOM 385 CD LYS A 25 3.103 7.737 -6.842 1.00 0.00 C ATOM 386 CE LYS A 25 4.076 8.895 -6.978 1.00 0.00 C ATOM 387 NZ LYS A 25 3.818 9.687 -8.196 1.00 0.00 N ATOM 0 H LYS A 25 2.993 3.999 -7.916 1.00 0.00 H new ATOM 0 HA LYS A 25 4.554 5.241 -9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.593 5.481 -6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.353 6.597 -8.040 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.177 7.258 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.368 6.052 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.085 8.125 -6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.280 7.229 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.999 9.539 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.096 8.512 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.290 10.610 -8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.188 9.179 -9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.794 9.830 -8.306 1.00 0.00 H new ATOM 401 N ARG A 26 5.928 3.244 -7.794 1.00 0.00 N ATOM 402 CA ARG A 26 7.142 2.562 -7.390 1.00 0.00 C ATOM 403 C ARG A 26 7.364 1.282 -8.179 1.00 0.00 C ATOM 404 O ARG A 26 8.413 1.048 -8.783 1.00 0.00 O ATOM 405 CB ARG A 26 7.066 2.192 -5.916 1.00 0.00 C ATOM 406 CG ARG A 26 6.647 3.309 -4.983 1.00 0.00 C ATOM 407 CD ARG A 26 6.503 2.758 -3.589 1.00 0.00 C ATOM 408 NE ARG A 26 5.765 3.628 -2.687 1.00 0.00 N ATOM 409 CZ ARG A 26 5.269 3.197 -1.523 1.00 0.00 C ATOM 410 NH1 ARG A 26 5.649 2.014 -1.043 1.00 0.00 N ATOM 411 NH2 ARG A 26 4.442 3.954 -0.809 1.00 0.00 N ATOM 0 H ARG A 26 5.111 3.015 -7.227 1.00 0.00 H new ATOM 0 HA ARG A 26 7.968 3.247 -7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.364 1.365 -5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.043 1.826 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.388 4.108 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.704 3.743 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.000 1.792 -3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.495 2.579 -3.175 1.00 0.00 H new ATOM 0 HE ARG A 26 5.621 4.602 -2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.315 1.443 -1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.274 1.680 -0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.177 4.879 -1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.072 3.610 0.077 1.00 0.00 H new ATOM 425 N GLY A 27 6.328 0.479 -8.181 1.00 0.00 N ATOM 426 CA GLY A 27 6.353 -0.837 -8.730 1.00 0.00 C ATOM 427 C GLY A 27 6.341 -1.845 -7.620 1.00 0.00 C ATOM 428 O GLY A 27 6.596 -3.036 -7.830 1.00 0.00 O ATOM 0 H GLY A 27 5.423 0.739 -7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.491 -0.987 -9.380 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.243 -0.969 -9.345 1.00 0.00 H new ATOM 432 N VAL A 28 6.020 -1.373 -6.424 1.00 0.00 N ATOM 433 CA VAL A 28 6.066 -2.199 -5.257 1.00 0.00 C ATOM 434 C VAL A 28 5.388 -1.500 -4.079 1.00 0.00 C ATOM 435 O VAL A 28 5.241 -0.270 -4.073 1.00 0.00 O ATOM 436 CB VAL A 28 7.535 -2.514 -4.910 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.278 -1.299 -4.413 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.662 -3.669 -3.979 1.00 0.00 C ATOM 0 H VAL A 28 5.724 -0.412 -6.250 1.00 0.00 H new ATOM 0 HA VAL A 28 5.533 -3.128 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 28 8.014 -2.813 -5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.308 -1.572 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.271 -0.528 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.793 -0.918 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.715 -3.850 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.137 -3.447 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.227 -4.556 -4.439 1.00 0.00 H new ATOM 448 N LEU A 29 4.932 -2.301 -3.149 1.00 0.00 N ATOM 449 CA LEU A 29 4.345 -1.867 -1.907 1.00 0.00 C ATOM 450 C LEU A 29 4.655 -2.898 -0.846 1.00 0.00 C ATOM 451 O LEU A 29 4.622 -4.070 -1.135 1.00 0.00 O ATOM 452 CB LEU A 29 2.827 -1.778 -2.017 1.00 0.00 C ATOM 453 CG LEU A 29 2.217 -0.610 -2.766 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.722 -0.810 -2.869 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.507 0.691 -2.044 1.00 0.00 C ATOM 0 H LEU A 29 4.961 -3.316 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 29 4.751 -0.886 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.476 -2.694 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.423 -1.769 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 29 2.654 -0.561 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.279 0.028 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.515 -1.736 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.293 -0.866 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.062 1.520 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.083 0.653 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.585 0.837 -1.977 1.00 0.00 H new ATOM 467 N THR A 30 4.991 -2.477 0.338 1.00 0.00 N ATOM 468 CA THR A 30 5.166 -3.401 1.442 1.00 0.00 C ATOM 469 C THR A 30 3.803 -3.885 1.956 1.00 0.00 C ATOM 470 O THR A 30 2.850 -3.102 2.014 1.00 0.00 O ATOM 471 CB THR A 30 5.954 -2.774 2.621 1.00 0.00 C ATOM 472 OG1 THR A 30 5.370 -1.550 3.044 1.00 0.00 O ATOM 473 CG2 THR A 30 7.397 -2.549 2.277 1.00 0.00 C ATOM 0 H THR A 30 5.152 -1.498 0.574 1.00 0.00 H new ATOM 0 HA THR A 30 5.744 -4.240 1.056 1.00 0.00 H new ATOM 0 HB THR A 30 5.904 -3.492 3.439 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.382 -0.908 2.303 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.910 -2.109 3.132 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.864 -3.501 2.025 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.467 -1.874 1.424 1.00 0.00 H new ATOM 481 N TYR A 31 3.720 -5.158 2.329 1.00 0.00 N ATOM 482 CA TYR A 31 2.483 -5.749 2.864 1.00 0.00 C ATOM 483 C TYR A 31 1.993 -4.952 4.059 1.00 0.00 C ATOM 484 O TYR A 31 0.803 -4.637 4.173 1.00 0.00 O ATOM 485 CB TYR A 31 2.684 -7.225 3.299 1.00 0.00 C ATOM 486 CG TYR A 31 2.919 -8.228 2.187 1.00 0.00 C ATOM 487 CD1 TYR A 31 1.847 -8.748 1.486 1.00 0.00 C ATOM 488 CD2 TYR A 31 4.199 -8.685 1.856 1.00 0.00 C ATOM 489 CE1 TYR A 31 2.022 -9.683 0.492 1.00 0.00 C ATOM 490 CE2 TYR A 31 4.377 -9.617 0.857 1.00 0.00 C ATOM 491 CZ TYR A 31 3.287 -10.113 0.181 1.00 0.00 C ATOM 492 OH TYR A 31 3.463 -11.044 -0.813 1.00 0.00 O ATOM 0 H TYR A 31 4.500 -5.812 2.272 1.00 0.00 H new ATOM 0 HA TYR A 31 1.746 -5.721 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.532 -7.268 3.983 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.805 -7.538 3.862 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.849 -8.412 1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.057 -8.303 2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.168 -10.076 -0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.371 -9.957 0.605 1.00 0.00 H new ATOM 0 HH TYR A 31 4.418 -11.242 -0.911 1.00 0.00 H new ATOM 502 N GLU A 32 2.927 -4.586 4.917 1.00 0.00 N ATOM 503 CA GLU A 32 2.616 -3.866 6.119 1.00 0.00 C ATOM 504 C GLU A 32 2.097 -2.450 5.851 1.00 0.00 C ATOM 505 O GLU A 32 1.224 -1.999 6.561 1.00 0.00 O ATOM 506 CB GLU A 32 3.800 -3.835 7.076 1.00 0.00 C ATOM 507 CG GLU A 32 3.470 -3.213 8.424 1.00 0.00 C ATOM 508 CD GLU A 32 4.622 -3.221 9.384 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.934 -4.285 9.946 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.210 -2.148 9.637 1.00 0.00 O ATOM 0 H GLU A 32 3.920 -4.784 4.792 1.00 0.00 H new ATOM 0 HA GLU A 32 1.804 -4.415 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.159 -4.852 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.615 -3.276 6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.142 -2.185 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.633 -3.751 8.869 1.00 0.00 H new ATOM 517 N GLU A 33 2.572 -1.763 4.805 1.00 0.00 N ATOM 518 CA GLU A 33 2.099 -0.391 4.595 1.00 0.00 C ATOM 519 C GLU A 33 0.687 -0.435 4.066 1.00 0.00 C ATOM 520 O GLU A 33 -0.121 0.471 4.304 1.00 0.00 O ATOM 521 CB GLU A 33 3.011 0.419 3.667 1.00 0.00 C ATOM 522 CG GLU A 33 2.916 0.086 2.189 1.00 0.00 C ATOM 523 CD GLU A 33 3.943 0.827 1.401 1.00 0.00 C ATOM 524 OE1 GLU A 33 4.963 0.214 1.013 1.00 0.00 O ATOM 525 OE2 GLU A 33 3.790 2.052 1.198 1.00 0.00 O ATOM 0 H GLU A 33 3.247 -2.111 4.124 1.00 0.00 H new ATOM 0 HA GLU A 33 2.121 0.124 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.782 1.477 3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.043 0.275 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.048 -0.986 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.921 0.336 1.821 1.00 0.00 H new ATOM 532 N ILE A 34 0.396 -1.514 3.369 1.00 0.00 N ATOM 533 CA ILE A 34 -0.906 -1.772 2.866 1.00 0.00 C ATOM 534 C ILE A 34 -1.830 -2.057 4.030 1.00 0.00 C ATOM 535 O ILE A 34 -2.911 -1.486 4.127 1.00 0.00 O ATOM 536 CB ILE A 34 -0.890 -2.960 1.889 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.015 -2.640 0.703 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.295 -3.264 1.414 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.219 -3.795 -0.241 1.00 0.00 C ATOM 0 H ILE A 34 1.078 -2.237 3.141 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.261 -0.899 2.319 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.501 -3.840 2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.411 -1.803 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.986 -2.314 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.271 -4.107 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.922 -3.514 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.705 -2.390 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.873 -3.487 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.675 -4.627 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.743 -4.108 -0.646 1.00 0.00 H new ATOM 551 N ALA A 35 -1.348 -2.867 4.981 1.00 0.00 N ATOM 552 CA ALA A 35 -2.073 -3.254 6.163 1.00 0.00 C ATOM 553 C ALA A 35 -2.298 -2.070 7.065 1.00 0.00 C ATOM 554 O ALA A 35 -3.350 -1.930 7.659 1.00 0.00 O ATOM 555 CB ALA A 35 -1.342 -4.369 6.902 1.00 0.00 C ATOM 0 H ALA A 35 -0.414 -3.275 4.933 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.048 -3.633 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.907 -4.647 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.245 -5.236 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.351 -4.023 7.195 1.00 0.00 H new ATOM 561 N GLU A 36 -1.292 -1.209 7.135 1.00 0.00 N ATOM 562 CA GLU A 36 -1.259 -0.061 8.015 1.00 0.00 C ATOM 563 C GLU A 36 -2.403 0.886 7.740 1.00 0.00 C ATOM 564 O GLU A 36 -3.142 1.242 8.657 1.00 0.00 O ATOM 565 CB GLU A 36 0.145 0.607 7.948 1.00 0.00 C ATOM 566 CG GLU A 36 0.382 1.868 8.795 1.00 0.00 C ATOM 567 CD GLU A 36 -0.243 3.112 8.209 1.00 0.00 C ATOM 568 OE1 GLU A 36 -0.090 3.335 7.003 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.877 3.897 8.949 1.00 0.00 O ATOM 0 H GLU A 36 -0.453 -1.298 6.561 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.410 -0.386 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.884 -0.138 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.346 0.861 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.020 1.705 9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.455 2.027 8.904 1.00 0.00 H new ATOM 576 N ARG A 37 -2.613 1.253 6.478 1.00 0.00 N ATOM 577 CA ARG A 37 -3.712 2.132 6.131 1.00 0.00 C ATOM 578 C ARG A 37 -5.035 1.424 6.345 1.00 0.00 C ATOM 579 O ARG A 37 -6.028 2.027 6.745 1.00 0.00 O ATOM 580 CB ARG A 37 -3.635 2.549 4.671 1.00 0.00 C ATOM 581 CG ARG A 37 -2.412 3.323 4.239 1.00 0.00 C ATOM 582 CD ARG A 37 -2.222 4.585 5.065 1.00 0.00 C ATOM 583 NE ARG A 37 -1.361 5.553 4.380 1.00 0.00 N ATOM 584 CZ ARG A 37 -0.276 6.150 4.890 1.00 0.00 C ATOM 585 NH1 ARG A 37 0.250 5.748 6.041 1.00 0.00 N ATOM 586 NH2 ARG A 37 0.318 7.102 4.204 1.00 0.00 N ATOM 0 H ARG A 37 -2.039 0.955 5.689 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.642 3.012 6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.700 1.650 4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.514 3.152 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.529 2.690 4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.503 3.588 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.193 5.039 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.785 4.327 6.030 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.612 5.796 3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.173 4.973 6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.077 6.214 6.414 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.048 7.379 3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.145 7.564 4.583 1.00 0.00 H new ATOM 600 N MET A 38 -5.024 0.130 6.149 1.00 0.00 N ATOM 601 CA MET A 38 -6.226 -0.656 6.270 1.00 0.00 C ATOM 602 C MET A 38 -6.520 -0.982 7.714 1.00 0.00 C ATOM 603 O MET A 38 -7.576 -1.507 8.026 1.00 0.00 O ATOM 604 CB MET A 38 -6.133 -1.940 5.470 1.00 0.00 C ATOM 605 CG MET A 38 -5.932 -1.738 3.990 1.00 0.00 C ATOM 606 SD MET A 38 -7.226 -0.761 3.228 1.00 0.00 S ATOM 607 CE MET A 38 -6.694 -0.813 1.528 1.00 0.00 C ATOM 0 H MET A 38 -4.191 -0.404 5.903 1.00 0.00 H new ATOM 0 HA MET A 38 -7.041 -0.054 5.869 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.308 -2.537 5.858 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.044 -2.517 5.625 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.972 -1.250 3.824 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.884 -2.711 3.500 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.944 0.129 1.039 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.616 -0.967 1.489 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.196 -1.633 1.014 1.00 0.00 H new ATOM 617 N SER A 39 -5.621 -0.609 8.606 1.00 0.00 N ATOM 618 CA SER A 39 -5.800 -0.876 10.015 1.00 0.00 C ATOM 619 C SER A 39 -6.871 0.038 10.598 1.00 0.00 C ATOM 620 O SER A 39 -7.402 -0.222 11.665 1.00 0.00 O ATOM 621 CB SER A 39 -4.481 -0.737 10.774 1.00 0.00 C ATOM 622 OG SER A 39 -3.508 -1.649 10.280 1.00 0.00 O ATOM 0 H SER A 39 -4.757 -0.118 8.375 1.00 0.00 H new ATOM 0 HA SER A 39 -6.135 -1.907 10.128 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.109 0.283 10.679 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.648 -0.918 11.836 1.00 0.00 H new ATOM 0 HG SER A 39 -3.270 -1.407 9.361 1.00 0.00 H new ATOM 628 N SER A 40 -7.193 1.098 9.877 1.00 0.00 N ATOM 629 CA SER A 40 -8.235 1.995 10.277 1.00 0.00 C ATOM 630 C SER A 40 -9.598 1.343 10.001 1.00 0.00 C ATOM 631 O SER A 40 -10.577 1.586 10.711 1.00 0.00 O ATOM 632 CB SER A 40 -8.076 3.296 9.505 1.00 0.00 C ATOM 633 OG SER A 40 -6.743 3.777 9.647 1.00 0.00 O ATOM 0 H SER A 40 -6.734 1.351 9.002 1.00 0.00 H new ATOM 0 HA SER A 40 -8.174 2.211 11.344 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.305 3.136 8.451 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.783 4.039 9.875 1.00 0.00 H new ATOM 0 HG SER A 40 -6.642 4.614 9.148 1.00 0.00 H new ATOM 639 N PHE A 41 -9.634 0.483 8.990 1.00 0.00 N ATOM 640 CA PHE A 41 -10.849 -0.226 8.603 1.00 0.00 C ATOM 641 C PHE A 41 -10.897 -1.582 9.241 1.00 0.00 C ATOM 642 O PHE A 41 -11.968 -2.180 9.348 1.00 0.00 O ATOM 643 CB PHE A 41 -10.865 -0.428 7.103 1.00 0.00 C ATOM 644 CG PHE A 41 -10.651 0.814 6.362 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.582 0.920 5.517 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.481 1.901 6.544 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.334 2.074 4.860 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.238 3.064 5.881 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.162 3.149 5.041 1.00 0.00 C ATOM 0 H PHE A 41 -8.822 0.257 8.415 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.702 0.370 8.927 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.092 -1.147 6.829 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.821 -0.861 6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.929 0.072 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.325 1.829 7.214 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.486 2.148 4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -11.890 3.914 6.017 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.964 4.072 4.516 1.00 0.00 H new ATOM 659 N GLU A 42 -9.728 -2.060 9.636 1.00 0.00 N ATOM 660 CA GLU A 42 -9.539 -3.379 10.195 1.00 0.00 C ATOM 661 C GLU A 42 -9.825 -4.419 9.119 1.00 0.00 C ATOM 662 O GLU A 42 -10.861 -5.093 9.114 1.00 0.00 O ATOM 663 CB GLU A 42 -10.375 -3.593 11.466 1.00 0.00 C ATOM 664 CG GLU A 42 -10.059 -2.601 12.568 1.00 0.00 C ATOM 665 CD GLU A 42 -10.935 -2.783 13.764 1.00 0.00 C ATOM 666 OE1 GLU A 42 -12.019 -2.166 13.824 1.00 0.00 O ATOM 667 OE2 GLU A 42 -10.566 -3.549 14.671 1.00 0.00 O ATOM 0 H GLU A 42 -8.864 -1.522 9.573 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.503 -3.488 10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.433 -3.519 11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.206 -4.604 11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.016 -2.711 12.865 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.176 -1.587 12.186 1.00 0.00 H new ATOM 674 N ILE A 43 -8.949 -4.451 8.142 1.00 0.00 N ATOM 675 CA ILE A 43 -9.081 -5.353 7.030 1.00 0.00 C ATOM 676 C ILE A 43 -8.268 -6.578 7.300 1.00 0.00 C ATOM 677 O ILE A 43 -7.046 -6.513 7.496 1.00 0.00 O ATOM 678 CB ILE A 43 -8.616 -4.710 5.701 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.403 -3.444 5.407 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.735 -5.688 4.534 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.852 -3.691 5.108 1.00 0.00 C ATOM 0 H ILE A 43 -8.125 -3.851 8.099 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.136 -5.605 6.923 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.564 -4.449 5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.327 -2.773 6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.948 -2.933 4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.400 -5.203 3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.116 -6.564 4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.774 -5.996 4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.349 -2.742 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.938 -4.337 4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.323 -4.174 5.964 1.00 0.00 H new ATOM 693 N GLU A 44 -8.948 -7.659 7.327 1.00 0.00 N ATOM 694 CA GLU A 44 -8.379 -8.954 7.551 1.00 0.00 C ATOM 695 C GLU A 44 -7.456 -9.329 6.421 1.00 0.00 C ATOM 696 O GLU A 44 -7.672 -8.921 5.272 1.00 0.00 O ATOM 697 CB GLU A 44 -9.511 -9.962 7.667 1.00 0.00 C ATOM 698 CG GLU A 44 -10.397 -9.724 8.871 1.00 0.00 C ATOM 699 CD GLU A 44 -9.668 -9.978 10.165 1.00 0.00 C ATOM 700 OE1 GLU A 44 -9.695 -11.121 10.655 1.00 0.00 O ATOM 701 OE2 GLU A 44 -9.036 -9.058 10.707 1.00 0.00 O ATOM 0 H GLU A 44 -9.958 -7.680 7.189 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.793 -8.945 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.119 -9.923 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.091 -10.966 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.762 -8.697 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.270 -10.374 8.813 1.00 0.00 H new ATOM 708 N SER A 45 -6.450 -10.113 6.742 1.00 0.00 N ATOM 709 CA SER A 45 -5.480 -10.616 5.792 1.00 0.00 C ATOM 710 C SER A 45 -6.190 -11.352 4.644 1.00 0.00 C ATOM 711 O SER A 45 -5.751 -11.317 3.495 1.00 0.00 O ATOM 712 CB SER A 45 -4.537 -11.546 6.530 1.00 0.00 C ATOM 713 OG SER A 45 -3.930 -10.861 7.619 1.00 0.00 O ATOM 0 H SER A 45 -6.279 -10.427 7.697 1.00 0.00 H new ATOM 0 HA SER A 45 -4.916 -9.792 5.354 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.083 -12.415 6.896 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.770 -11.915 5.849 1.00 0.00 H new ATOM 0 HG SER A 45 -3.324 -11.469 8.091 1.00 0.00 H new ATOM 719 N ASP A 46 -7.323 -11.951 4.986 1.00 0.00 N ATOM 720 CA ASP A 46 -8.206 -12.652 4.060 1.00 0.00 C ATOM 721 C ASP A 46 -8.621 -11.712 2.933 1.00 0.00 C ATOM 722 O ASP A 46 -8.527 -12.046 1.753 1.00 0.00 O ATOM 723 CB ASP A 46 -9.474 -13.082 4.807 1.00 0.00 C ATOM 724 CG ASP A 46 -9.198 -13.846 6.082 1.00 0.00 C ATOM 725 OD1 ASP A 46 -9.400 -15.067 6.128 1.00 0.00 O ATOM 726 OD2 ASP A 46 -8.773 -13.216 7.085 1.00 0.00 O ATOM 0 H ASP A 46 -7.665 -11.963 5.947 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.682 -13.517 3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.063 -12.196 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.082 -13.701 4.147 1.00 0.00 H new ATOM 731 N GLN A 47 -9.046 -10.514 3.313 1.00 0.00 N ATOM 732 CA GLN A 47 -9.501 -9.529 2.356 1.00 0.00 C ATOM 733 C GLN A 47 -8.308 -8.816 1.751 1.00 0.00 C ATOM 734 O GLN A 47 -8.368 -8.312 0.637 1.00 0.00 O ATOM 735 CB GLN A 47 -10.419 -8.510 3.006 1.00 0.00 C ATOM 736 CG GLN A 47 -11.536 -9.109 3.838 1.00 0.00 C ATOM 737 CD GLN A 47 -12.625 -8.111 4.161 1.00 0.00 C ATOM 738 OE1 GLN A 47 -13.779 -8.484 4.360 1.00 0.00 O ATOM 739 NE2 GLN A 47 -12.290 -6.852 4.168 1.00 0.00 N ATOM 0 H GLN A 47 -9.083 -10.205 4.284 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.061 -10.048 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.822 -7.855 3.640 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.858 -7.886 2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.970 -9.953 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.121 -9.501 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.321 -6.581 3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.996 -6.137 4.343 1.00 0.00 H new ATOM 748 N MET A 48 -7.217 -8.757 2.509 1.00 0.00 N ATOM 749 CA MET A 48 -5.978 -8.170 2.016 1.00 0.00 C ATOM 750 C MET A 48 -5.463 -8.908 0.795 1.00 0.00 C ATOM 751 O MET A 48 -5.006 -8.281 -0.141 1.00 0.00 O ATOM 752 CB MET A 48 -4.879 -8.114 3.082 1.00 0.00 C ATOM 753 CG MET A 48 -5.013 -7.024 4.145 1.00 0.00 C ATOM 754 SD MET A 48 -4.416 -5.374 3.630 1.00 0.00 S ATOM 755 CE MET A 48 -5.491 -4.926 2.270 1.00 0.00 C ATOM 0 H MET A 48 -7.167 -9.108 3.465 1.00 0.00 H new ATOM 0 HA MET A 48 -6.226 -7.145 1.741 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.844 -9.080 3.586 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.922 -7.983 2.578 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.061 -6.942 4.432 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.463 -7.333 5.034 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.342 -3.876 2.019 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.257 -5.543 1.403 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.530 -5.086 2.559 1.00 0.00 H new ATOM 765 N ASP A 49 -5.561 -10.245 0.814 1.00 0.00 N ATOM 766 CA ASP A 49 -5.130 -11.112 -0.322 1.00 0.00 C ATOM 767 C ASP A 49 -5.850 -10.703 -1.583 1.00 0.00 C ATOM 768 O ASP A 49 -5.247 -10.578 -2.654 1.00 0.00 O ATOM 769 CB ASP A 49 -5.438 -12.586 -0.026 1.00 0.00 C ATOM 770 CG ASP A 49 -4.932 -13.541 -1.106 1.00 0.00 C ATOM 771 OD1 ASP A 49 -5.600 -13.721 -2.147 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.857 -14.152 -0.912 1.00 0.00 O ATOM 0 H ASP A 49 -5.937 -10.765 1.606 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.055 -10.991 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.989 -12.859 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.516 -12.710 0.082 1.00 0.00 H new ATOM 777 N GLU A 50 -7.129 -10.439 -1.420 1.00 0.00 N ATOM 778 CA GLU A 50 -7.995 -10.015 -2.495 1.00 0.00 C ATOM 779 C GLU A 50 -7.449 -8.711 -3.109 1.00 0.00 C ATOM 780 O GLU A 50 -7.376 -8.551 -4.342 1.00 0.00 O ATOM 781 CB GLU A 50 -9.406 -9.803 -1.927 1.00 0.00 C ATOM 782 CG GLU A 50 -10.463 -9.458 -2.946 1.00 0.00 C ATOM 783 CD GLU A 50 -10.661 -10.561 -3.933 1.00 0.00 C ATOM 784 OE1 GLU A 50 -11.340 -11.549 -3.611 1.00 0.00 O ATOM 785 OE2 GLU A 50 -10.149 -10.458 -5.055 1.00 0.00 O ATOM 0 H GLU A 50 -7.603 -10.515 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.034 -10.771 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.710 -10.710 -1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.366 -9.006 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.405 -9.252 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.178 -8.547 -3.471 1.00 0.00 H new ATOM 792 N TYR A 51 -7.031 -7.806 -2.240 1.00 0.00 N ATOM 793 CA TYR A 51 -6.456 -6.551 -2.662 1.00 0.00 C ATOM 794 C TYR A 51 -5.077 -6.785 -3.282 1.00 0.00 C ATOM 795 O TYR A 51 -4.714 -6.105 -4.233 1.00 0.00 O ATOM 796 CB TYR A 51 -6.407 -5.563 -1.511 1.00 0.00 C ATOM 797 CG TYR A 51 -5.885 -4.195 -1.888 1.00 0.00 C ATOM 798 CD1 TYR A 51 -4.902 -3.587 -1.129 1.00 0.00 C ATOM 799 CD2 TYR A 51 -6.363 -3.512 -3.012 1.00 0.00 C ATOM 800 CE1 TYR A 51 -4.414 -2.347 -1.461 1.00 0.00 C ATOM 801 CE2 TYR A 51 -5.870 -2.274 -3.337 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.904 -1.703 -2.561 1.00 0.00 C ATOM 803 OH TYR A 51 -4.414 -0.487 -2.895 1.00 0.00 O ATOM 0 H TYR A 51 -7.083 -7.925 -1.228 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.092 -6.110 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.410 -5.455 -1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.778 -5.974 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.511 -4.096 -0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.126 -3.963 -3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.648 -1.884 -0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.246 -1.753 -4.205 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.153 0.105 -3.149 1.00 0.00 H new ATOM 813 N TYR A 52 -4.314 -7.739 -2.761 1.00 0.00 N ATOM 814 CA TYR A 52 -2.960 -8.010 -3.255 1.00 0.00 C ATOM 815 C TYR A 52 -2.983 -8.418 -4.706 1.00 0.00 C ATOM 816 O TYR A 52 -2.202 -7.919 -5.518 1.00 0.00 O ATOM 817 CB TYR A 52 -2.215 -9.072 -2.419 1.00 0.00 C ATOM 818 CG TYR A 52 -1.953 -8.682 -0.978 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.982 -9.637 0.025 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.697 -7.363 -0.618 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.766 -9.296 1.339 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.478 -7.017 0.695 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.515 -7.988 1.672 1.00 0.00 C ATOM 824 OH TYR A 52 -1.292 -7.650 2.993 1.00 0.00 O ATOM 0 H TYR A 52 -4.608 -8.343 -1.993 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.409 -7.075 -3.153 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.795 -9.995 -2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.261 -9.289 -2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.178 -10.668 -0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.670 -6.599 -1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.794 -10.055 2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.278 -5.989 0.959 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.129 -6.686 3.061 1.00 0.00 H new ATOM 834 N GLU A 53 -3.918 -9.291 -5.041 1.00 0.00 N ATOM 835 CA GLU A 53 -4.068 -9.745 -6.401 1.00 0.00 C ATOM 836 C GLU A 53 -4.529 -8.600 -7.288 1.00 0.00 C ATOM 837 O GLU A 53 -4.098 -8.479 -8.433 1.00 0.00 O ATOM 838 CB GLU A 53 -5.036 -10.904 -6.480 1.00 0.00 C ATOM 839 CG GLU A 53 -5.038 -11.566 -7.833 1.00 0.00 C ATOM 840 CD GLU A 53 -5.991 -12.702 -7.926 1.00 0.00 C ATOM 841 OE1 GLU A 53 -5.831 -13.699 -7.198 1.00 0.00 O ATOM 842 OE2 GLU A 53 -6.882 -12.658 -8.790 1.00 0.00 O ATOM 0 H GLU A 53 -4.583 -9.697 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.098 -10.094 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.778 -11.641 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.041 -10.549 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.290 -10.826 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.033 -11.924 -8.057 1.00 0.00 H new ATOM 849 N PHE A 54 -5.378 -7.741 -6.735 1.00 0.00 N ATOM 850 CA PHE A 54 -5.841 -6.569 -7.433 1.00 0.00 C ATOM 851 C PHE A 54 -4.644 -5.696 -7.810 1.00 0.00 C ATOM 852 O PHE A 54 -4.503 -5.269 -8.959 1.00 0.00 O ATOM 853 CB PHE A 54 -6.841 -5.786 -6.561 1.00 0.00 C ATOM 854 CG PHE A 54 -7.091 -4.402 -7.055 1.00 0.00 C ATOM 855 CD1 PHE A 54 -6.423 -3.345 -6.479 1.00 0.00 C ATOM 856 CD2 PHE A 54 -7.942 -4.158 -8.107 1.00 0.00 C ATOM 857 CE1 PHE A 54 -6.587 -2.077 -6.933 1.00 0.00 C ATOM 858 CE2 PHE A 54 -8.121 -2.878 -8.567 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.433 -1.836 -7.972 1.00 0.00 C ATOM 0 H PHE A 54 -5.758 -7.845 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.357 -6.870 -8.345 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.786 -6.329 -6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.463 -5.738 -5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.756 -3.529 -5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.471 -4.976 -8.573 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.049 -1.262 -6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.795 -2.685 -9.389 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.567 -0.827 -8.333 1.00 0.00 H new ATOM 869 N LEU A 55 -3.794 -5.442 -6.830 1.00 0.00 N ATOM 870 CA LEU A 55 -2.577 -4.676 -7.029 1.00 0.00 C ATOM 871 C LEU A 55 -1.678 -5.322 -8.080 1.00 0.00 C ATOM 872 O LEU A 55 -1.031 -4.641 -8.871 1.00 0.00 O ATOM 873 CB LEU A 55 -1.839 -4.498 -5.715 1.00 0.00 C ATOM 874 CG LEU A 55 -2.534 -3.614 -4.689 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.790 -3.666 -3.376 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.616 -2.173 -5.196 1.00 0.00 C ATOM 0 H LEU A 55 -3.929 -5.762 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.857 -3.690 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.678 -5.481 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.855 -4.078 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.548 -3.984 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.293 -3.031 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.769 -4.692 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.769 -3.312 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.115 -1.553 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.610 -1.791 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.181 -2.147 -6.128 1.00 0.00 H new ATOM 888 N GLY A 56 -1.670 -6.646 -8.072 1.00 0.00 N ATOM 889 CA GLY A 56 -0.904 -7.401 -9.040 1.00 0.00 C ATOM 890 C GLY A 56 -1.391 -7.170 -10.453 1.00 0.00 C ATOM 891 O GLY A 56 -0.582 -7.062 -11.379 1.00 0.00 O ATOM 0 H GLY A 56 -2.187 -7.217 -7.403 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.147 -7.121 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.968 -8.463 -8.804 1.00 0.00 H new ATOM 895 N GLU A 57 -2.698 -7.102 -10.624 1.00 0.00 N ATOM 896 CA GLU A 57 -3.291 -6.835 -11.901 1.00 0.00 C ATOM 897 C GLU A 57 -2.936 -5.434 -12.404 1.00 0.00 C ATOM 898 O GLU A 57 -2.766 -5.216 -13.605 1.00 0.00 O ATOM 899 CB GLU A 57 -4.792 -7.009 -11.825 1.00 0.00 C ATOM 900 CG GLU A 57 -5.241 -8.417 -11.458 1.00 0.00 C ATOM 901 CD GLU A 57 -4.607 -9.481 -12.327 1.00 0.00 C ATOM 902 OE1 GLU A 57 -4.798 -9.461 -13.563 1.00 0.00 O ATOM 903 OE2 GLU A 57 -3.931 -10.389 -11.784 1.00 0.00 O ATOM 0 H GLU A 57 -3.373 -7.233 -9.871 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.887 -7.552 -12.616 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.190 -6.310 -11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.226 -6.741 -12.788 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.993 -8.612 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.326 -8.482 -11.546 1.00 0.00 H new ATOM 910 N GLN A 58 -2.802 -4.491 -11.464 1.00 0.00 N ATOM 911 CA GLN A 58 -2.449 -3.115 -11.785 1.00 0.00 C ATOM 912 C GLN A 58 -0.943 -3.040 -12.073 1.00 0.00 C ATOM 913 O GLN A 58 -0.515 -2.303 -12.943 1.00 0.00 O ATOM 914 CB GLN A 58 -2.833 -2.191 -10.609 1.00 0.00 C ATOM 915 CG GLN A 58 -4.312 -2.264 -10.235 1.00 0.00 C ATOM 916 CD GLN A 58 -5.223 -1.713 -11.320 1.00 0.00 C ATOM 917 OE1 GLN A 58 -4.863 -0.795 -12.049 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.385 -2.274 -11.452 1.00 0.00 N ATOM 0 H GLN A 58 -2.935 -4.665 -10.468 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.994 -2.784 -12.669 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.233 -2.455 -9.738 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.582 -1.162 -10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.580 -3.301 -10.034 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.476 -1.708 -9.312 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.657 -3.036 -10.831 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.027 -1.953 -12.177 1.00 0.00 H new ATOM 927 N GLY A 59 -0.160 -3.769 -11.328 1.00 0.00 N ATOM 928 CA GLY A 59 1.266 -3.855 -11.601 1.00 0.00 C ATOM 929 C GLY A 59 2.101 -3.454 -10.413 1.00 0.00 C ATOM 930 O GLY A 59 2.982 -2.591 -10.514 1.00 0.00 O ATOM 0 H GLY A 59 -0.475 -4.315 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.517 -4.875 -11.891 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.511 -3.214 -12.448 1.00 0.00 H new ATOM 934 N VAL A 60 1.819 -4.056 -9.281 1.00 0.00 N ATOM 935 CA VAL A 60 2.511 -3.751 -8.043 1.00 0.00 C ATOM 936 C VAL A 60 2.918 -5.041 -7.374 1.00 0.00 C ATOM 937 O VAL A 60 2.081 -5.919 -7.151 1.00 0.00 O ATOM 938 CB VAL A 60 1.583 -2.996 -7.054 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.347 -2.563 -5.822 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.894 -1.813 -7.718 1.00 0.00 C ATOM 0 H VAL A 60 1.101 -4.774 -9.189 1.00 0.00 H new ATOM 0 HA VAL A 60 3.374 -3.131 -8.286 1.00 0.00 H new ATOM 0 HB VAL A 60 0.802 -3.690 -6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.676 -2.036 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.755 -3.440 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.162 -1.900 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.254 -1.311 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.645 -1.113 -8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.289 -2.166 -8.553 1.00 0.00 H new ATOM 950 N GLU A 61 4.183 -5.172 -7.085 1.00 0.00 N ATOM 951 CA GLU A 61 4.659 -6.306 -6.338 1.00 0.00 C ATOM 952 C GLU A 61 4.608 -5.962 -4.870 1.00 0.00 C ATOM 953 O GLU A 61 4.881 -4.829 -4.493 1.00 0.00 O ATOM 954 CB GLU A 61 6.072 -6.685 -6.752 1.00 0.00 C ATOM 955 CG GLU A 61 6.165 -7.211 -8.169 1.00 0.00 C ATOM 956 CD GLU A 61 7.528 -7.774 -8.499 1.00 0.00 C ATOM 957 OE1 GLU A 61 7.774 -8.982 -8.234 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.367 -7.040 -9.037 1.00 0.00 O ATOM 0 H GLU A 61 4.906 -4.506 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 61 4.024 -7.168 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.717 -5.812 -6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.453 -7.442 -6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.413 -7.986 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.931 -6.406 -8.866 1.00 0.00 H new ATOM 965 N LEU A 62 4.208 -6.880 -4.053 1.00 0.00 N ATOM 966 CA LEU A 62 4.106 -6.602 -2.656 1.00 0.00 C ATOM 967 C LEU A 62 5.307 -7.171 -1.904 1.00 0.00 C ATOM 968 O LEU A 62 5.546 -8.375 -1.933 1.00 0.00 O ATOM 969 CB LEU A 62 2.786 -7.148 -2.086 1.00 0.00 C ATOM 970 CG LEU A 62 1.479 -6.758 -2.825 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.458 -5.318 -3.290 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.103 -7.737 -3.931 1.00 0.00 C ATOM 0 H LEU A 62 3.947 -7.827 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 62 4.106 -5.520 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.851 -8.236 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.701 -6.815 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 62 0.693 -6.836 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.516 -5.114 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.557 -4.656 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.286 -5.146 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.180 -7.409 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.902 -7.774 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.957 -8.729 -3.504 1.00 0.00 H new ATOM 984 N ILE A 63 6.083 -6.298 -1.284 1.00 0.00 N ATOM 985 CA ILE A 63 7.232 -6.720 -0.501 1.00 0.00 C ATOM 986 C ILE A 63 6.947 -6.844 0.957 1.00 0.00 C ATOM 987 O ILE A 63 5.998 -6.299 1.481 1.00 0.00 O ATOM 988 CB ILE A 63 8.485 -5.862 -0.668 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.193 -4.374 -0.516 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.152 -6.169 -1.960 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.416 -3.482 -0.618 1.00 0.00 C ATOM 0 H ILE A 63 5.937 -5.289 -1.308 1.00 0.00 H new ATOM 0 HA ILE A 63 7.439 -7.703 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 63 9.173 -6.116 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.477 -4.077 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.716 -4.207 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.043 -5.550 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.436 -7.221 -1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.467 -5.961 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.118 -2.440 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.127 -3.748 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.884 -3.616 -1.593 1.00 0.00 H new ATOM 1003 N SER A 64 7.842 -7.489 1.593 1.00 0.00 N ATOM 1004 CA SER A 64 7.762 -7.888 2.953 1.00 0.00 C ATOM 1005 C SER A 64 8.145 -6.837 4.038 1.00 0.00 C ATOM 1006 O SER A 64 8.213 -7.196 5.215 1.00 0.00 O ATOM 1007 CB SER A 64 8.634 -9.063 3.046 1.00 0.00 C ATOM 1008 OG SER A 64 8.033 -10.241 2.546 1.00 0.00 O ATOM 0 H SER A 64 8.716 -7.776 1.152 1.00 0.00 H new ATOM 0 HA SER A 64 6.712 -8.068 3.185 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.554 -8.870 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.914 -9.219 4.088 1.00 0.00 H new ATOM 0 HG SER A 64 8.660 -10.990 2.632 1.00 0.00 H new ATOM 1014 N GLU A 65 8.426 -5.588 3.659 1.00 0.00 N ATOM 1015 CA GLU A 65 8.698 -4.455 4.635 1.00 0.00 C ATOM 1016 C GLU A 65 10.074 -4.558 5.301 1.00 0.00 C ATOM 1017 O GLU A 65 10.763 -3.555 5.465 1.00 0.00 O ATOM 1018 CB GLU A 65 7.527 -4.285 5.646 1.00 0.00 C ATOM 1019 CG GLU A 65 7.506 -3.013 6.502 1.00 0.00 C ATOM 1020 CD GLU A 65 8.503 -2.986 7.626 1.00 0.00 C ATOM 1021 OE1 GLU A 65 9.094 -1.930 7.866 1.00 0.00 O ATOM 1022 OE2 GLU A 65 8.677 -4.013 8.314 1.00 0.00 O ATOM 0 H GLU A 65 8.478 -5.303 2.681 1.00 0.00 H new ATOM 0 HA GLU A 65 8.742 -3.533 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.592 -4.329 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.537 -5.142 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.688 -2.155 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.507 -2.891 6.920 1.00 0.00 H new ATOM 1029 N ASN A 66 10.488 -5.771 5.639 1.00 0.00 N ATOM 1030 CA ASN A 66 11.822 -6.022 6.153 1.00 0.00 C ATOM 1031 C ASN A 66 12.826 -5.857 5.022 1.00 0.00 C ATOM 1032 O ASN A 66 14.045 -5.832 5.224 1.00 0.00 O ATOM 1033 CB ASN A 66 11.933 -7.423 6.762 1.00 0.00 C ATOM 1034 CG ASN A 66 11.785 -8.568 5.762 1.00 0.00 C ATOM 1035 OD1 ASN A 66 12.743 -8.965 5.114 1.00 0.00 O ATOM 1036 ND2 ASN A 66 10.617 -9.147 5.686 1.00 0.00 N ATOM 0 H ASN A 66 9.907 -6.606 5.564 1.00 0.00 H new ATOM 0 HA ASN A 66 12.033 -5.305 6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.900 -7.514 7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.170 -7.531 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.486 -9.953 5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 66 9.836 -8.794 6.239 1.00 0.00 H new ATOM 1043 N GLU A 67 12.286 -5.756 3.849 1.00 0.00 N ATOM 1044 CA GLU A 67 12.993 -5.511 2.659 1.00 0.00 C ATOM 1045 C GLU A 67 12.379 -4.270 2.077 1.00 0.00 C ATOM 1046 O GLU A 67 11.186 -4.004 2.302 1.00 0.00 O ATOM 1047 CB GLU A 67 12.821 -6.679 1.706 1.00 0.00 C ATOM 1048 CG GLU A 67 11.386 -6.882 1.243 1.00 0.00 C ATOM 1049 CD GLU A 67 11.189 -8.038 0.288 1.00 0.00 C ATOM 1050 OE1 GLU A 67 12.044 -8.279 -0.578 1.00 0.00 O ATOM 1051 OE2 GLU A 67 10.127 -8.697 0.362 1.00 0.00 O ATOM 0 H GLU A 67 11.281 -5.850 3.702 1.00 0.00 H new ATOM 0 HA GLU A 67 14.062 -5.388 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.456 -6.522 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.169 -7.589 2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.755 -7.039 2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.041 -5.967 0.761 1.00 0.00 H new ATOM 1058 N GLU A 68 13.138 -3.537 1.368 1.00 0.00 N ATOM 1059 CA GLU A 68 12.673 -2.307 0.797 1.00 0.00 C ATOM 1060 C GLU A 68 13.473 -2.025 -0.457 1.00 0.00 C ATOM 1061 O GLU A 68 14.632 -2.430 -0.556 1.00 0.00 O ATOM 1062 CB GLU A 68 12.774 -1.173 1.839 1.00 0.00 C ATOM 1063 CG GLU A 68 12.236 0.167 1.377 1.00 0.00 C ATOM 1064 CD GLU A 68 10.833 0.082 0.821 1.00 0.00 C ATOM 1065 OE1 GLU A 68 9.866 0.308 1.568 1.00 0.00 O ATOM 1066 OE2 GLU A 68 10.698 -0.188 -0.405 1.00 0.00 O ATOM 0 H GLU A 68 14.110 -3.760 1.156 1.00 0.00 H new ATOM 0 HA GLU A 68 11.622 -2.379 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.235 -1.475 2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.820 -1.051 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.247 0.865 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.899 0.575 0.614 1.00 0.00 H new ATOM 1073 N THR A 69 12.878 -1.362 -1.416 1.00 0.00 N ATOM 1074 CA THR A 69 13.562 -1.153 -2.667 1.00 0.00 C ATOM 1075 C THR A 69 13.994 0.262 -2.867 1.00 0.00 C ATOM 1076 O THR A 69 14.857 0.566 -3.693 1.00 0.00 O ATOM 1077 CB THR A 69 12.816 -1.725 -3.876 1.00 0.00 C ATOM 1078 OG1 THR A 69 11.459 -1.269 -3.849 1.00 0.00 O ATOM 1079 CG2 THR A 69 12.843 -3.248 -3.866 1.00 0.00 C ATOM 0 H THR A 69 11.940 -0.965 -1.358 1.00 0.00 H new ATOM 0 HA THR A 69 14.479 -1.738 -2.592 1.00 0.00 H new ATOM 0 HB THR A 69 13.310 -1.382 -4.785 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.222 -0.896 -4.724 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.306 -3.627 -4.735 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.876 -3.594 -3.898 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.366 -3.614 -2.957 1.00 0.00 H new ATOM 1087 N GLU A 70 13.430 1.116 -2.109 1.00 0.00 N ATOM 1088 CA GLU A 70 13.844 2.480 -2.118 1.00 0.00 C ATOM 1089 C GLU A 70 14.979 2.648 -1.126 1.00 0.00 C ATOM 1090 O GLU A 70 15.803 3.547 -1.238 1.00 0.00 O ATOM 1091 CB GLU A 70 12.682 3.395 -1.802 1.00 0.00 C ATOM 1092 CG GLU A 70 11.970 3.004 -0.542 1.00 0.00 C ATOM 1093 CD GLU A 70 10.861 3.943 -0.187 1.00 0.00 C ATOM 1094 OE1 GLU A 70 11.143 4.998 0.441 1.00 0.00 O ATOM 1095 OE2 GLU A 70 9.698 3.667 -0.517 1.00 0.00 O ATOM 0 H GLU A 70 12.670 0.902 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 70 14.199 2.755 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.045 4.419 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.977 3.382 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.566 1.998 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.687 2.969 0.279 1.00 0.00 H new ATOM 1102 N ASP A 71 15.067 1.728 -0.201 1.00 0.00 N ATOM 1103 CA ASP A 71 16.082 1.811 0.814 1.00 0.00 C ATOM 1104 C ASP A 71 17.200 0.891 0.445 1.00 0.00 C ATOM 1105 O ASP A 71 17.317 -0.225 0.946 1.00 0.00 O ATOM 1106 CB ASP A 71 15.543 1.513 2.211 1.00 0.00 C ATOM 1107 CG ASP A 71 16.562 1.822 3.298 1.00 0.00 C ATOM 1108 OD1 ASP A 71 16.833 3.021 3.536 1.00 0.00 O ATOM 1109 OD2 ASP A 71 17.121 0.887 3.924 1.00 0.00 O ATOM 0 H ASP A 71 14.452 0.918 -0.130 1.00 0.00 H new ATOM 0 HA ASP A 71 16.449 2.836 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.641 2.100 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.256 0.463 2.272 1.00 0.00 H new ATOM 1114 N LEU A 72 17.913 1.314 -0.551 1.00 0.00 N ATOM 1115 CA LEU A 72 19.045 0.595 -1.086 1.00 0.00 C ATOM 1116 C LEU A 72 20.157 1.588 -1.339 1.00 0.00 C ATOM 1117 O LEU A 72 21.113 1.312 -2.076 1.00 0.00 O ATOM 1118 CB LEU A 72 18.668 -0.094 -2.416 1.00 0.00 C ATOM 1119 CG LEU A 72 17.595 -1.188 -2.371 1.00 0.00 C ATOM 1120 CD1 LEU A 72 17.319 -1.704 -3.768 1.00 0.00 C ATOM 1121 CD2 LEU A 72 18.023 -2.334 -1.469 1.00 0.00 C ATOM 0 H LEU A 72 17.725 2.193 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 72 19.361 -0.170 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.333 0.677 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.574 -0.530 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 72 16.683 -0.753 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.555 -2.481 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.968 -0.885 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 72 18.234 -2.118 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.244 -3.096 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.949 -2.768 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.184 -1.961 -0.458 1.00 0.00 H new ATOM 1133 N GLU A 73 20.048 2.734 -0.710 1.00 0.00 N ATOM 1134 CA GLU A 73 20.991 3.797 -0.908 1.00 0.00 C ATOM 1135 C GLU A 73 22.153 3.645 0.042 1.00 0.00 C ATOM 1136 O GLU A 73 21.985 3.240 1.200 1.00 0.00 O ATOM 1137 CB GLU A 73 20.328 5.160 -0.732 1.00 0.00 C ATOM 1138 CG GLU A 73 19.229 5.443 -1.737 1.00 0.00 C ATOM 1139 CD GLU A 73 18.623 6.796 -1.538 1.00 0.00 C ATOM 1140 OE1 GLU A 73 19.281 7.804 -1.863 1.00 0.00 O ATOM 1141 OE2 GLU A 73 17.486 6.892 -1.071 1.00 0.00 O ATOM 0 H GLU A 73 19.303 2.951 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 73 21.363 3.737 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.912 5.224 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 73 21.089 5.936 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.634 5.372 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.453 4.682 -1.650 1.00 0.00 H new ATOM 1148 N HIS A 74 23.315 3.950 -0.442 1.00 0.00 N ATOM 1149 CA HIS A 74 24.509 3.836 0.327 1.00 0.00 C ATOM 1150 C HIS A 74 24.756 5.150 1.045 1.00 0.00 C ATOM 1151 O HIS A 74 25.237 6.106 0.454 1.00 0.00 O ATOM 1152 CB HIS A 74 25.672 3.486 -0.600 1.00 0.00 C ATOM 1153 CG HIS A 74 26.939 3.101 0.082 1.00 0.00 C ATOM 1154 ND1 HIS A 74 28.115 3.803 -0.033 1.00 0.00 N ATOM 1155 CD2 HIS A 74 27.219 2.019 0.840 1.00 0.00 C ATOM 1156 CE1 HIS A 74 29.061 3.141 0.631 1.00 0.00 C ATOM 1157 NE2 HIS A 74 28.567 2.043 1.186 1.00 0.00 N ATOM 0 H HIS A 74 23.461 4.289 -1.393 1.00 0.00 H new ATOM 0 HA HIS A 74 24.414 3.045 1.070 1.00 0.00 H new ATOM 0 HB2 HIS A 74 25.364 2.665 -1.248 1.00 0.00 H new ATOM 0 HB3 HIS A 74 25.872 4.342 -1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 74 26.511 1.257 1.131 1.00 0.00 H new ATOM 0 HE1 HIS A 74 30.091 3.456 0.707 1.00 0.00 H new ATOM 0 HE2 HIS A 74 29.070 1.358 1.750 1.00 0.00 H new ATOM 1165 N HIS A 75 24.348 5.219 2.281 1.00 0.00 N ATOM 1166 CA HIS A 75 24.546 6.420 3.065 1.00 0.00 C ATOM 1167 C HIS A 75 25.933 6.385 3.679 1.00 0.00 C ATOM 1168 O HIS A 75 26.782 7.238 3.395 1.00 0.00 O ATOM 1169 CB HIS A 75 23.467 6.569 4.166 1.00 0.00 C ATOM 1170 CG HIS A 75 22.047 6.701 3.654 1.00 0.00 C ATOM 1171 ND1 HIS A 75 21.250 7.801 3.860 1.00 0.00 N ATOM 1172 CD2 HIS A 75 21.275 5.815 2.976 1.00 0.00 C ATOM 1173 CE1 HIS A 75 20.054 7.557 3.319 1.00 0.00 C ATOM 1174 NE2 HIS A 75 20.016 6.358 2.766 1.00 0.00 N ATOM 0 H HIS A 75 23.875 4.461 2.773 1.00 0.00 H new ATOM 0 HA HIS A 75 24.454 7.285 2.408 1.00 0.00 H new ATOM 0 HB2 HIS A 75 23.521 5.703 4.826 1.00 0.00 H new ATOM 0 HB3 HIS A 75 23.703 7.445 4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 75 21.592 4.836 2.649 1.00 0.00 H new ATOM 0 HE1 HIS A 75 19.226 8.250 3.332 1.00 0.00 H new ATOM 0 HE2 HIS A 75 19.228 5.923 2.286 1.00 0.00 H new ATOM 1182 N HIS A 76 26.173 5.375 4.469 1.00 0.00 N ATOM 1183 CA HIS A 76 27.426 5.178 5.139 1.00 0.00 C ATOM 1184 C HIS A 76 27.598 3.698 5.343 1.00 0.00 C ATOM 1185 O HIS A 76 28.710 3.175 5.188 1.00 0.00 O ATOM 1186 CB HIS A 76 27.506 5.957 6.485 1.00 0.00 C ATOM 1187 CG HIS A 76 26.428 5.634 7.495 1.00 0.00 C ATOM 1188 ND1 HIS A 76 26.506 4.608 8.412 1.00 0.00 N ATOM 1189 CD2 HIS A 76 25.244 6.237 7.716 1.00 0.00 C ATOM 1190 CE1 HIS A 76 25.393 4.611 9.143 1.00 0.00 C ATOM 1191 NE2 HIS A 76 24.587 5.587 8.764 1.00 0.00 N ATOM 1192 OXT HIS A 76 26.573 3.025 5.561 1.00 0.00 O ATOM 0 H HIS A 76 25.485 4.649 4.669 1.00 0.00 H new ATOM 0 HA HIS A 76 28.237 5.575 4.528 1.00 0.00 H new ATOM 0 HB2 HIS A 76 28.476 5.759 6.941 1.00 0.00 H new ATOM 0 HB3 HIS A 76 27.467 7.025 6.269 1.00 0.00 H new ATOM 0 HD2 HIS A 76 24.863 7.087 7.170 1.00 0.00 H new ATOM 0 HE1 HIS A 76 25.178 3.911 9.937 1.00 0.00 H new ATOM 0 HE2 HIS A 76 23.674 5.818 9.156 1.00 0.00 H new TER 1200 HIS A 76