USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 534 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 43 THR OG1 : rot 132:sc= 2.03 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 GLN : amide:sc= -0.139 K(o=-1,f=-2.6!) USER MOD Set 2.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 27 GLN : amide:sc= -0.863 K(o=-1,f=-5.6!) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0.178 USER MOD Set 3.2: A 18 LYS NZ :NH3+ -129:sc= 0.192 (180deg=0.0117) USER MOD Single : A 1 MET CE :methyl 146:sc= -1.08 (180deg=-2.82!) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0416 (180deg=-0.198) USER MOD Single : A 3 GLN : amide:sc= -0.985 K(o=-0.98,f=-3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -163:sc= -0.0179 (180deg=-0.478) USER MOD Single : A 19 THR OG1 : rot 86:sc= 0.458 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc=-0.00329 X(o=-0.0033,f=-0.12) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00395 X(o=-0.0039,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.66) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.3) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.124 15.872 2.332 1.00 0.00 N ATOM 2 CA MET A 1 0.767 15.292 2.149 1.00 0.00 C ATOM 3 C MET A 1 0.837 13.921 1.485 1.00 0.00 C ATOM 4 O MET A 1 -0.078 13.520 0.766 1.00 0.00 O ATOM 5 CB MET A 1 -0.062 16.252 1.293 1.00 0.00 C ATOM 6 CG MET A 1 -0.965 17.167 2.104 1.00 0.00 C ATOM 7 SD MET A 1 -2.525 16.382 2.552 1.00 0.00 S ATOM 8 CE MET A 1 -2.050 15.509 4.042 1.00 0.00 C ATOM 0 H1 MET A 1 2.041 16.879 2.577 1.00 0.00 H new ATOM 0 H2 MET A 1 2.616 15.369 3.098 1.00 0.00 H new ATOM 0 H3 MET A 1 2.665 15.774 1.449 1.00 0.00 H new ATOM 0 HA MET A 1 0.300 15.159 3.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.611 16.861 0.690 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.673 15.673 0.601 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.444 17.475 3.011 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.169 18.071 1.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.889 15.494 4.738 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.769 14.486 3.791 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.203 16.015 4.506 1.00 0.00 H new ATOM 20 N GLU A 2 1.928 13.204 1.732 1.00 0.00 N ATOM 21 CA GLU A 2 2.119 11.877 1.157 1.00 0.00 C ATOM 22 C GLU A 2 1.382 10.821 1.976 1.00 0.00 C ATOM 23 O GLU A 2 1.084 11.028 3.152 1.00 0.00 O ATOM 24 CB GLU A 2 3.607 11.537 1.085 1.00 0.00 C ATOM 25 CG GLU A 2 4.218 11.779 -0.286 1.00 0.00 C ATOM 26 CD GLU A 2 5.698 11.451 -0.331 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.393 11.706 0.675 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.162 10.939 -1.371 1.00 0.00 O ATOM 0 H GLU A 2 2.694 13.520 2.327 1.00 0.00 H new ATOM 0 HA GLU A 2 1.708 11.882 0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.144 12.132 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.746 10.491 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.693 11.174 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.072 12.822 -0.566 1.00 0.00 H new ATOM 35 N GLN A 3 1.090 9.688 1.344 1.00 0.00 N ATOM 36 CA GLN A 3 0.387 8.599 2.013 1.00 0.00 C ATOM 37 C GLN A 3 0.664 7.269 1.322 1.00 0.00 C ATOM 38 O GLN A 3 -0.218 6.418 1.215 1.00 0.00 O ATOM 39 CB GLN A 3 -1.117 8.874 2.040 1.00 0.00 C ATOM 40 CG GLN A 3 -1.780 8.508 3.359 1.00 0.00 C ATOM 41 CD GLN A 3 -2.896 9.462 3.736 1.00 0.00 C ATOM 42 OE1 GLN A 3 -4.036 9.049 3.946 1.00 0.00 O ATOM 43 NE2 GLN A 3 -2.572 10.747 3.826 1.00 0.00 N ATOM 0 H GLN A 3 1.329 9.501 0.370 1.00 0.00 H new ATOM 0 HA GLN A 3 0.753 8.537 3.038 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.288 9.931 1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.595 8.315 1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.179 7.496 3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.029 8.503 4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.614 11.045 3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.281 11.435 4.078 1.00 0.00 H new ATOM 52 N ARG A 4 1.896 7.101 0.858 1.00 0.00 N ATOM 53 CA ARG A 4 2.297 5.875 0.174 1.00 0.00 C ATOM 54 C ARG A 4 2.786 4.830 1.169 1.00 0.00 C ATOM 55 O ARG A 4 3.989 4.628 1.336 1.00 0.00 O ATOM 56 CB ARG A 4 3.396 6.174 -0.845 1.00 0.00 C ATOM 57 CG ARG A 4 2.881 6.835 -2.116 1.00 0.00 C ATOM 58 CD ARG A 4 3.703 8.062 -2.482 1.00 0.00 C ATOM 59 NE ARG A 4 3.118 8.796 -3.602 1.00 0.00 N ATOM 60 CZ ARG A 4 3.449 10.043 -3.926 1.00 0.00 C ATOM 61 NH1 ARG A 4 4.357 10.703 -3.217 1.00 0.00 N ATOM 62 NH2 ARG A 4 2.869 10.634 -4.962 1.00 0.00 N ATOM 0 H ARG A 4 2.636 7.798 0.942 1.00 0.00 H new ATOM 0 HA ARG A 4 1.425 5.477 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.141 6.822 -0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.900 5.244 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.910 6.119 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.838 7.122 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.778 8.720 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.717 7.756 -2.739 1.00 0.00 H new ATOM 0 HE ARG A 4 2.414 8.324 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.805 10.254 -2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.606 11.659 -3.471 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.170 10.132 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.122 11.590 -5.211 1.00 0.00 H new ATOM 76 N ILE A 5 1.844 4.173 1.835 1.00 0.00 N ATOM 77 CA ILE A 5 2.170 3.153 2.819 1.00 0.00 C ATOM 78 C ILE A 5 2.520 1.834 2.156 1.00 0.00 C ATOM 79 O ILE A 5 2.240 1.616 0.979 1.00 0.00 O ATOM 80 CB ILE A 5 0.995 2.919 3.787 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.445 4.255 4.260 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.433 2.071 4.974 1.00 0.00 C ATOM 83 CD1 ILE A 5 -1.039 4.236 4.548 1.00 0.00 C ATOM 0 H ILE A 5 0.844 4.331 1.709 1.00 0.00 H new ATOM 0 HA ILE A 5 3.034 3.519 3.373 1.00 0.00 H new ATOM 0 HB ILE A 5 0.209 2.378 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.977 4.558 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.649 5.011 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.587 1.919 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.793 1.105 4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.233 2.581 5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.358 5.224 4.880 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.582 3.965 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.249 3.505 5.329 1.00 0.00 H new ATOM 95 N THR A 6 3.138 0.963 2.933 1.00 0.00 N ATOM 96 CA THR A 6 3.543 -0.350 2.448 1.00 0.00 C ATOM 97 C THR A 6 2.401 -1.355 2.583 1.00 0.00 C ATOM 98 O THR A 6 1.634 -1.309 3.543 1.00 0.00 O ATOM 99 CB THR A 6 4.769 -0.846 3.215 1.00 0.00 C ATOM 100 OG1 THR A 6 4.726 -0.412 4.563 1.00 0.00 O ATOM 101 CG2 THR A 6 6.078 -0.372 2.621 1.00 0.00 C ATOM 0 H THR A 6 3.373 1.140 3.910 1.00 0.00 H new ATOM 0 HA THR A 6 3.799 -0.257 1.393 1.00 0.00 H new ATOM 0 HB THR A 6 4.731 -1.933 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.518 -0.741 5.038 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.907 -0.759 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.164 -0.732 1.596 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.106 0.718 2.626 1.00 0.00 H new ATOM 109 N LEU A 7 2.297 -2.258 1.615 1.00 0.00 N ATOM 110 CA LEU A 7 1.247 -3.273 1.626 1.00 0.00 C ATOM 111 C LEU A 7 1.314 -4.112 2.897 1.00 0.00 C ATOM 112 O LEU A 7 0.287 -4.540 3.425 1.00 0.00 O ATOM 113 CB LEU A 7 1.368 -4.177 0.397 1.00 0.00 C ATOM 114 CG LEU A 7 0.251 -5.211 0.242 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.977 -4.581 -0.396 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.734 -6.395 -0.584 1.00 0.00 C ATOM 0 H LEU A 7 2.925 -2.309 0.813 1.00 0.00 H new ATOM 0 HA LEU A 7 0.284 -2.763 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.389 -3.551 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.323 -4.700 0.442 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.025 -5.571 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.760 -5.332 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.336 -3.766 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.717 -4.193 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.072 -7.121 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.037 -6.050 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.584 -6.863 -0.087 1.00 0.00 H new ATOM 128 N LYS A 8 2.529 -4.344 3.384 1.00 0.00 N ATOM 129 CA LYS A 8 2.729 -5.134 4.593 1.00 0.00 C ATOM 130 C LYS A 8 2.088 -4.453 5.798 1.00 0.00 C ATOM 131 O LYS A 8 1.546 -5.116 6.683 1.00 0.00 O ATOM 132 CB LYS A 8 4.222 -5.347 4.848 1.00 0.00 C ATOM 133 CG LYS A 8 4.514 -6.221 6.057 1.00 0.00 C ATOM 134 CD LYS A 8 5.787 -5.783 6.764 1.00 0.00 C ATOM 135 CE LYS A 8 6.585 -6.976 7.266 1.00 0.00 C ATOM 136 NZ LYS A 8 6.371 -7.216 8.720 1.00 0.00 N ATOM 0 H LYS A 8 3.389 -3.996 2.960 1.00 0.00 H new ATOM 0 HA LYS A 8 2.251 -6.103 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.672 -5.801 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.700 -4.377 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.676 -6.175 6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.610 -7.260 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.400 -5.196 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.534 -5.134 7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.299 -7.866 6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.645 -6.808 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.932 -8.037 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.668 -6.377 9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.363 -7.402 8.897 1.00 0.00 H new ATOM 150 N ASP A 9 2.152 -3.125 5.825 1.00 0.00 N ATOM 151 CA ASP A 9 1.577 -2.355 6.922 1.00 0.00 C ATOM 152 C ASP A 9 0.072 -2.194 6.743 1.00 0.00 C ATOM 153 O ASP A 9 -0.707 -2.500 7.645 1.00 0.00 O ATOM 154 CB ASP A 9 2.240 -0.979 7.007 1.00 0.00 C ATOM 155 CG ASP A 9 3.640 -1.046 7.582 1.00 0.00 C ATOM 156 OD1 ASP A 9 3.963 -2.054 8.245 1.00 0.00 O ATOM 157 OD2 ASP A 9 4.417 -0.090 7.369 1.00 0.00 O ATOM 0 H ASP A 9 2.596 -2.561 5.100 1.00 0.00 H new ATOM 0 HA ASP A 9 1.759 -2.898 7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.280 -0.536 6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.628 -0.321 7.624 1.00 0.00 H new ATOM 162 N TYR A 10 -0.331 -1.708 5.574 1.00 0.00 N ATOM 163 CA TYR A 10 -1.744 -1.504 5.275 1.00 0.00 C ATOM 164 C TYR A 10 -2.524 -2.808 5.405 1.00 0.00 C ATOM 165 O TYR A 10 -3.701 -2.804 5.764 1.00 0.00 O ATOM 166 CB TYR A 10 -1.909 -0.935 3.866 1.00 0.00 C ATOM 167 CG TYR A 10 -3.275 -0.339 3.611 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.349 -1.146 3.258 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.490 1.029 3.725 1.00 0.00 C ATOM 170 CE1 TYR A 10 -5.600 -0.605 3.024 1.00 0.00 C ATOM 171 CE2 TYR A 10 -4.737 1.576 3.492 1.00 0.00 C ATOM 172 CZ TYR A 10 -5.789 0.755 3.142 1.00 0.00 C ATOM 173 OH TYR A 10 -7.032 1.297 2.911 1.00 0.00 O ATOM 0 H TYR A 10 0.301 -1.448 4.817 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.143 -0.792 5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.151 -0.169 3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.726 -1.727 3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.205 -2.212 3.165 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.669 1.675 4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.425 -1.245 2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.888 2.642 3.583 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.994 2.268 3.037 1.00 0.00 H new ATOM 183 N ALA A 11 -1.862 -3.921 5.110 1.00 0.00 N ATOM 184 CA ALA A 11 -2.499 -5.231 5.194 1.00 0.00 C ATOM 185 C ALA A 11 -2.762 -5.619 6.645 1.00 0.00 C ATOM 186 O ALA A 11 -3.873 -6.006 7.002 1.00 0.00 O ATOM 187 CB ALA A 11 -1.634 -6.281 4.513 1.00 0.00 C ATOM 0 H ALA A 11 -0.887 -3.943 4.811 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.458 -5.177 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.120 -7.254 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.499 -6.017 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.662 -6.325 5.004 1.00 0.00 H new ATOM 193 N MET A 12 -1.730 -5.513 7.478 1.00 0.00 N ATOM 194 CA MET A 12 -1.849 -5.854 8.888 1.00 0.00 C ATOM 195 C MET A 12 -2.583 -4.763 9.660 1.00 0.00 C ATOM 196 O MET A 12 -3.164 -5.018 10.715 1.00 0.00 O ATOM 197 CB MET A 12 -0.463 -6.087 9.495 1.00 0.00 C ATOM 198 CG MET A 12 -0.207 -7.532 9.888 1.00 0.00 C ATOM 199 SD MET A 12 1.104 -7.696 11.116 1.00 0.00 S ATOM 200 CE MET A 12 2.366 -6.643 10.405 1.00 0.00 C ATOM 0 H MET A 12 -0.803 -5.193 7.198 1.00 0.00 H new ATOM 0 HA MET A 12 -2.431 -6.772 8.964 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.296 -5.774 8.778 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.350 -5.454 10.375 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.126 -7.965 10.283 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.059 -8.105 8.999 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.328 -6.866 10.866 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.428 -6.823 9.332 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.111 -5.598 10.584 1.00 0.00 H new ATOM 210 N ARG A 13 -2.553 -3.547 9.128 1.00 0.00 N ATOM 211 CA ARG A 13 -3.213 -2.413 9.766 1.00 0.00 C ATOM 212 C ARG A 13 -4.652 -2.276 9.280 1.00 0.00 C ATOM 213 O ARG A 13 -5.594 -2.346 10.071 1.00 0.00 O ATOM 214 CB ARG A 13 -2.443 -1.123 9.481 1.00 0.00 C ATOM 215 CG ARG A 13 -2.652 -0.046 10.533 1.00 0.00 C ATOM 216 CD ARG A 13 -1.346 0.640 10.902 1.00 0.00 C ATOM 217 NE ARG A 13 -1.440 2.093 10.793 1.00 0.00 N ATOM 218 CZ ARG A 13 -2.002 2.871 11.717 1.00 0.00 C ATOM 219 NH1 ARG A 13 -2.518 2.340 12.818 1.00 0.00 N ATOM 220 NH2 ARG A 13 -2.045 4.184 11.540 1.00 0.00 N ATOM 0 H ARG A 13 -2.078 -3.320 8.254 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.227 -2.591 10.841 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.379 -1.352 9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.748 -0.734 8.509 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.360 0.695 10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.095 -0.489 11.425 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.071 0.370 11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.550 0.279 10.251 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.053 2.538 9.961 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.486 1.331 12.961 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.947 2.941 13.522 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.648 4.598 10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.475 4.780 12.247 1.00 0.00 H new ATOM 234 N PHE A 14 -4.812 -2.070 7.980 1.00 0.00 N ATOM 235 CA PHE A 14 -6.121 -1.909 7.382 1.00 0.00 C ATOM 236 C PHE A 14 -6.660 -3.235 6.848 1.00 0.00 C ATOM 237 O PHE A 14 -7.510 -3.254 5.957 1.00 0.00 O ATOM 238 CB PHE A 14 -6.021 -0.890 6.257 1.00 0.00 C ATOM 239 CG PHE A 14 -5.767 0.504 6.749 1.00 0.00 C ATOM 240 CD1 PHE A 14 -6.815 1.319 7.136 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.478 0.998 6.835 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.583 2.592 7.592 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.242 2.270 7.290 1.00 0.00 C ATOM 244 CZ PHE A 14 -5.296 3.064 7.668 1.00 0.00 C ATOM 0 H PHE A 14 -4.039 -2.011 7.317 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.817 -1.560 8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.218 -1.182 5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.945 -0.903 5.680 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.828 0.949 7.079 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.647 0.374 6.540 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.409 3.220 7.890 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.231 2.645 7.351 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.112 4.066 8.027 1.00 0.00 H new ATOM 254 N GLY A 15 -6.164 -4.341 7.394 1.00 0.00 N ATOM 255 CA GLY A 15 -6.612 -5.648 6.955 1.00 0.00 C ATOM 256 C GLY A 15 -6.316 -5.901 5.491 1.00 0.00 C ATOM 257 O GLY A 15 -5.885 -5.000 4.773 1.00 0.00 O ATOM 0 H GLY A 15 -5.460 -4.354 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.128 -6.416 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.685 -5.737 7.126 1.00 0.00 H new ATOM 261 N GLN A 16 -6.547 -7.133 5.049 1.00 0.00 N ATOM 262 CA GLN A 16 -6.302 -7.507 3.659 1.00 0.00 C ATOM 263 C GLN A 16 -7.541 -7.262 2.803 1.00 0.00 C ATOM 264 O GLN A 16 -7.441 -6.784 1.673 1.00 0.00 O ATOM 265 CB GLN A 16 -5.889 -8.977 3.571 1.00 0.00 C ATOM 266 CG GLN A 16 -4.793 -9.362 4.552 1.00 0.00 C ATOM 267 CD GLN A 16 -4.870 -10.819 4.970 1.00 0.00 C ATOM 268 OE1 GLN A 16 -5.944 -11.423 4.961 1.00 0.00 O ATOM 269 NE2 GLN A 16 -3.730 -11.389 5.337 1.00 0.00 N ATOM 0 H GLN A 16 -6.903 -7.890 5.632 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.492 -6.885 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.763 -9.603 3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.549 -9.190 2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.821 -9.169 4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.864 -8.730 5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.864 -10.850 5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.719 -12.367 5.627 1.00 0.00 H new ATOM 278 N THR A 17 -8.705 -7.595 3.349 1.00 0.00 N ATOM 279 CA THR A 17 -9.964 -7.415 2.636 1.00 0.00 C ATOM 280 C THR A 17 -10.180 -5.950 2.272 1.00 0.00 C ATOM 281 O THR A 17 -10.510 -5.625 1.131 1.00 0.00 O ATOM 282 CB THR A 17 -11.130 -7.924 3.485 1.00 0.00 C ATOM 283 OG1 THR A 17 -10.930 -9.278 3.849 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.460 -7.826 2.786 1.00 0.00 C ATOM 0 H THR A 17 -8.803 -7.991 4.284 1.00 0.00 H new ATOM 0 HA THR A 17 -9.918 -7.993 1.713 1.00 0.00 H new ATOM 0 HB THR A 17 -11.153 -7.280 4.364 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.685 -9.586 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.245 -8.203 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.664 -6.785 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.435 -8.419 1.872 1.00 0.00 H new ATOM 292 N LYS A 18 -10.000 -5.069 3.254 1.00 0.00 N ATOM 293 CA LYS A 18 -10.190 -3.637 3.039 1.00 0.00 C ATOM 294 C LYS A 18 -9.263 -3.127 1.941 1.00 0.00 C ATOM 295 O LYS A 18 -9.653 -2.293 1.123 1.00 0.00 O ATOM 296 CB LYS A 18 -9.937 -2.868 4.337 1.00 0.00 C ATOM 297 CG LYS A 18 -10.810 -1.639 4.498 1.00 0.00 C ATOM 298 CD LYS A 18 -10.070 -0.370 4.103 1.00 0.00 C ATOM 299 CE LYS A 18 -10.420 0.786 5.028 1.00 0.00 C ATOM 300 NZ LYS A 18 -9.508 1.946 4.830 1.00 0.00 N ATOM 0 H LYS A 18 -9.724 -5.321 4.203 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.221 -3.473 2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.105 -3.535 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.890 -2.566 4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.705 -1.745 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.141 -1.560 5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.995 -0.549 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.321 -0.105 3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.449 1.097 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.365 0.452 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.127 2.249 5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.724 1.669 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.034 2.732 4.397 1.00 0.00 H new ATOM 314 N THR A 19 -8.034 -3.631 1.932 1.00 0.00 N ATOM 315 CA THR A 19 -7.049 -3.225 0.935 1.00 0.00 C ATOM 316 C THR A 19 -7.544 -3.527 -0.476 1.00 0.00 C ATOM 317 O THR A 19 -7.558 -2.652 -1.340 1.00 0.00 O ATOM 318 CB THR A 19 -5.720 -3.938 1.182 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.421 -3.976 2.566 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.550 -3.284 0.477 1.00 0.00 C ATOM 0 H THR A 19 -7.696 -4.321 2.603 1.00 0.00 H new ATOM 0 HA THR A 19 -6.901 -2.149 1.026 1.00 0.00 H new ATOM 0 HB THR A 19 -5.851 -4.942 0.779 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.856 -4.754 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.638 -3.840 0.694 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.727 -3.284 -0.598 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.442 -2.257 0.827 1.00 0.00 H new ATOM 328 N ALA A 20 -7.948 -4.772 -0.701 1.00 0.00 N ATOM 329 CA ALA A 20 -8.442 -5.192 -2.006 1.00 0.00 C ATOM 330 C ALA A 20 -9.766 -4.511 -2.340 1.00 0.00 C ATOM 331 O ALA A 20 -10.080 -4.289 -3.509 1.00 0.00 O ATOM 332 CB ALA A 20 -8.598 -6.704 -2.049 1.00 0.00 C ATOM 0 H ALA A 20 -7.943 -5.509 0.005 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.711 -4.891 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.968 -7.004 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.632 -7.175 -1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.306 -7.019 -1.282 1.00 0.00 H new ATOM 338 N LYS A 21 -10.530 -4.182 -1.309 1.00 0.00 N ATOM 339 CA LYS A 21 -11.820 -3.528 -1.496 1.00 0.00 C ATOM 340 C LYS A 21 -11.640 -2.054 -1.841 1.00 0.00 C ATOM 341 O LYS A 21 -12.320 -1.524 -2.721 1.00 0.00 O ATOM 342 CB LYS A 21 -12.680 -3.668 -0.235 1.00 0.00 C ATOM 343 CG LYS A 21 -14.130 -3.992 -0.523 1.00 0.00 C ATOM 344 CD LYS A 21 -14.920 -4.224 0.760 1.00 0.00 C ATOM 345 CE LYS A 21 -16.420 -4.228 0.506 1.00 0.00 C ATOM 346 NZ LYS A 21 -16.860 -5.481 -0.162 1.00 0.00 N ATOM 0 H LYS A 21 -10.281 -4.356 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.327 -4.018 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.260 -4.451 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.630 -2.739 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.581 -3.175 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.187 -4.881 -1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.624 -5.175 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.676 -3.446 1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.950 -4.114 1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.687 -3.372 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.888 -5.448 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.373 -5.577 -1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.628 -6.296 0.441 1.00 0.00 H new ATOM 360 N ASP A 22 -10.720 -1.394 -1.145 1.00 0.00 N ATOM 361 CA ASP A 22 -10.450 0.017 -1.377 1.00 0.00 C ATOM 362 C ASP A 22 -9.756 0.226 -2.716 1.00 0.00 C ATOM 363 O ASP A 22 -9.935 1.256 -3.368 1.00 0.00 O ATOM 364 CB ASP A 22 -9.600 0.584 -0.244 1.00 0.00 C ATOM 365 CG ASP A 22 -10.420 1.350 0.773 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.640 1.135 0.830 1.00 0.00 O ATOM 367 OD2 ASP A 22 -9.835 2.167 1.516 1.00 0.00 O ATOM 0 H ASP A 22 -10.148 -1.817 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.402 0.547 -1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.077 -0.231 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.838 1.243 -0.661 1.00 0.00 H new ATOM 372 N LEU A 23 -8.959 -0.756 -3.122 1.00 0.00 N ATOM 373 CA LEU A 23 -8.231 -0.678 -4.384 1.00 0.00 C ATOM 374 C LEU A 23 -9.109 -1.129 -5.547 1.00 0.00 C ATOM 375 O LEU A 23 -9.390 -0.354 -6.463 1.00 0.00 O ATOM 376 CB LEU A 23 -6.964 -1.532 -4.319 1.00 0.00 C ATOM 377 CG LEU A 23 -5.682 -0.822 -4.768 1.00 0.00 C ATOM 378 CD1 LEU A 23 -4.553 -1.082 -3.781 1.00 0.00 C ATOM 379 CD2 LEU A 23 -5.285 -1.270 -6.166 1.00 0.00 C ATOM 0 H LEU A 23 -8.800 -1.615 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.949 0.362 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.830 -1.879 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.108 -2.417 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.874 0.251 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.651 -0.570 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.837 -0.709 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.361 -2.153 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.373 -0.755 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.112 -2.346 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.085 -1.030 -6.866 1.00 0.00 H new ATOM 391 N GLY A 24 -9.540 -2.385 -5.504 1.00 0.00 N ATOM 392 CA GLY A 24 -10.380 -2.917 -6.559 1.00 0.00 C ATOM 393 C GLY A 24 -10.180 -4.407 -6.757 1.00 0.00 C ATOM 394 O GLY A 24 -11.100 -5.111 -7.173 1.00 0.00 O ATOM 0 H GLY A 24 -9.322 -3.044 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.426 -2.721 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.162 -2.396 -7.491 1.00 0.00 H new ATOM 398 N VAL A 25 -8.985 -4.890 -6.459 1.00 0.00 N ATOM 399 CA VAL A 25 -8.673 -6.306 -6.606 1.00 0.00 C ATOM 400 C VAL A 25 -9.205 -7.110 -5.425 1.00 0.00 C ATOM 401 O VAL A 25 -9.813 -6.557 -4.509 1.00 0.00 O ATOM 402 CB VAL A 25 -7.155 -6.537 -6.728 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.650 -6.063 -8.082 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.415 -5.835 -5.600 1.00 0.00 C ATOM 0 H VAL A 25 -8.212 -4.322 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.159 -6.644 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.962 -7.607 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.576 -6.234 -8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.156 -6.616 -8.873 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.856 -4.999 -8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.344 -6.010 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.614 -4.764 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.756 -6.227 -4.642 1.00 0.00 H new ATOM 414 N GLN A 26 -8.970 -8.418 -5.450 1.00 0.00 N ATOM 415 CA GLN A 26 -9.427 -9.296 -4.380 1.00 0.00 C ATOM 416 C GLN A 26 -8.268 -9.693 -3.472 1.00 0.00 C ATOM 417 O GLN A 26 -7.109 -9.396 -3.761 1.00 0.00 O ATOM 418 CB GLN A 26 -10.080 -10.548 -4.965 1.00 0.00 C ATOM 419 CG GLN A 26 -11.050 -10.252 -6.094 1.00 0.00 C ATOM 420 CD GLN A 26 -12.490 -10.570 -5.726 1.00 0.00 C ATOM 421 OE1 GLN A 26 -12.950 -10.260 -4.624 1.00 0.00 O ATOM 422 NE2 GLN A 26 -13.210 -11.193 -6.649 1.00 0.00 N ATOM 0 H GLN A 26 -8.466 -8.893 -6.199 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.163 -8.753 -3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.301 -11.217 -5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.608 -11.077 -4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.973 -9.200 -6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.767 -10.832 -6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.791 -11.431 -7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.183 -11.434 -6.460 1.00 0.00 H new ATOM 431 N GLN A 27 -8.589 -10.363 -2.371 1.00 0.00 N ATOM 432 CA GLN A 27 -7.575 -10.800 -1.417 1.00 0.00 C ATOM 433 C GLN A 27 -6.605 -11.789 -2.057 1.00 0.00 C ATOM 434 O GLN A 27 -5.500 -11.998 -1.558 1.00 0.00 O ATOM 435 CB GLN A 27 -8.237 -11.435 -0.192 1.00 0.00 C ATOM 436 CG GLN A 27 -8.542 -10.443 0.917 1.00 0.00 C ATOM 437 CD GLN A 27 -9.068 -11.113 2.171 1.00 0.00 C ATOM 438 OE1 GLN A 27 -8.527 -10.928 3.263 1.00 0.00 O ATOM 439 NE2 GLN A 27 -10.120 -11.898 2.022 1.00 0.00 N ATOM 0 H GLN A 27 -9.544 -10.616 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.010 -9.922 -1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.164 -11.919 -0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.585 -12.216 0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.637 -9.886 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.276 -9.720 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.537 -12.023 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.516 -12.379 2.830 1.00 0.00 H new ATOM 448 N SER A 28 -7.025 -12.396 -3.161 1.00 0.00 N ATOM 449 CA SER A 28 -6.190 -13.365 -3.866 1.00 0.00 C ATOM 450 C SER A 28 -4.882 -12.726 -4.322 1.00 0.00 C ATOM 451 O SER A 28 -3.851 -13.392 -4.404 1.00 0.00 O ATOM 452 CB SER A 28 -6.939 -13.934 -5.072 1.00 0.00 C ATOM 453 OG SER A 28 -7.946 -14.844 -4.662 1.00 0.00 O ATOM 0 H SER A 28 -7.937 -12.236 -3.588 1.00 0.00 H new ATOM 0 HA SER A 28 -5.957 -14.176 -3.176 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.389 -13.121 -5.642 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.237 -14.438 -5.736 1.00 0.00 H new ATOM 0 HG SER A 28 -8.412 -15.193 -5.450 1.00 0.00 H new ATOM 459 N ALA A 29 -4.932 -11.430 -4.617 1.00 0.00 N ATOM 460 CA ALA A 29 -3.751 -10.703 -5.065 1.00 0.00 C ATOM 461 C ALA A 29 -2.932 -10.204 -3.880 1.00 0.00 C ATOM 462 O ALA A 29 -1.700 -10.234 -3.909 1.00 0.00 O ATOM 463 CB ALA A 29 -4.154 -9.540 -5.959 1.00 0.00 C ATOM 0 H ALA A 29 -5.778 -10.863 -4.554 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.129 -11.389 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.262 -9.006 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.690 -9.919 -6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.800 -8.860 -5.403 1.00 0.00 H new ATOM 469 N ILE A 30 -3.620 -9.748 -2.838 1.00 0.00 N ATOM 470 CA ILE A 30 -2.951 -9.247 -1.645 1.00 0.00 C ATOM 471 C ILE A 30 -2.085 -10.330 -1.015 1.00 0.00 C ATOM 472 O ILE A 30 -0.928 -10.091 -0.666 1.00 0.00 O ATOM 473 CB ILE A 30 -3.960 -8.738 -0.597 1.00 0.00 C ATOM 474 CG1 ILE A 30 -4.967 -7.782 -1.243 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.233 -8.052 0.549 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.322 -6.622 -1.971 1.00 0.00 C ATOM 0 H ILE A 30 -4.639 -9.716 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.324 -8.413 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.505 -9.593 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.587 -8.341 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.631 -7.392 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.959 -7.698 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.554 -8.760 1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.664 -7.206 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.096 -5.988 -2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.725 -6.039 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.680 -7.003 -2.765 1.00 0.00 H new ATOM 488 N ASN A 31 -2.649 -11.525 -0.878 1.00 0.00 N ATOM 489 CA ASN A 31 -1.926 -12.647 -0.296 1.00 0.00 C ATOM 490 C ASN A 31 -0.698 -12.985 -1.134 1.00 0.00 C ATOM 491 O ASN A 31 0.361 -13.307 -0.595 1.00 0.00 O ATOM 492 CB ASN A 31 -2.839 -13.870 -0.190 1.00 0.00 C ATOM 493 CG ASN A 31 -3.591 -13.918 1.127 1.00 0.00 C ATOM 494 OD1 ASN A 31 -4.806 -13.722 1.169 1.00 0.00 O ATOM 495 ND2 ASN A 31 -2.870 -14.179 2.211 1.00 0.00 N ATOM 0 H ASN A 31 -3.605 -11.740 -1.162 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.599 -12.362 0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.554 -13.859 -1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.242 -14.776 -0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.321 -14.223 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.865 -14.335 2.130 1.00 0.00 H new ATOM 502 N LYS A 32 -0.851 -12.908 -2.452 1.00 0.00 N ATOM 503 CA LYS A 32 0.243 -13.203 -3.368 1.00 0.00 C ATOM 504 C LYS A 32 1.355 -12.171 -3.244 1.00 0.00 C ATOM 505 O LYS A 32 2.531 -12.482 -3.430 1.00 0.00 O ATOM 506 CB LYS A 32 -0.273 -13.242 -4.809 1.00 0.00 C ATOM 507 CG LYS A 32 -0.397 -14.648 -5.372 1.00 0.00 C ATOM 508 CD LYS A 32 -1.764 -14.884 -5.995 1.00 0.00 C ATOM 509 CE LYS A 32 -1.655 -15.643 -7.308 1.00 0.00 C ATOM 510 NZ LYS A 32 -2.623 -15.139 -8.323 1.00 0.00 N ATOM 0 H LYS A 32 -1.723 -12.643 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 32 0.651 -14.179 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.248 -12.756 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.399 -12.664 -5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.378 -14.810 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.229 -15.375 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.390 -15.445 -5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.257 -13.927 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.641 -15.552 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.834 -16.703 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.517 -15.682 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.592 -15.249 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.436 -14.134 -8.512 1.00 0.00 H new ATOM 524 N TRP A 33 0.970 -10.944 -2.934 1.00 0.00 N ATOM 525 CA TRP A 33 1.914 -9.857 -2.788 1.00 0.00 C ATOM 526 C TRP A 33 2.774 -10.038 -1.544 1.00 0.00 C ATOM 527 O TRP A 33 3.998 -9.911 -1.597 1.00 0.00 O ATOM 528 CB TRP A 33 1.133 -8.557 -2.724 1.00 0.00 C ATOM 529 CG TRP A 33 0.483 -8.214 -4.016 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.742 -8.790 -5.207 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.540 -7.248 -4.244 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.042 -8.236 -6.186 1.00 0.00 N ATOM 533 CE2 TRP A 33 -0.841 -7.280 -5.616 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.222 -6.356 -3.423 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -1.801 -6.451 -6.187 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.179 -5.531 -3.986 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.460 -5.583 -5.359 1.00 0.00 C ATOM 0 H TRP A 33 -0.002 -10.678 -2.778 1.00 0.00 H new ATOM 0 HA TRP A 33 2.592 -9.842 -3.641 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.371 -8.633 -1.948 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.804 -7.749 -2.434 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.465 -9.576 -5.367 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.032 -8.493 -7.173 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.008 -6.308 -2.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.018 -6.491 -7.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.718 -4.836 -3.359 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.211 -4.925 -5.771 1.00 0.00 H new ATOM 548 N ILE A 34 2.126 -10.345 -0.426 1.00 0.00 N ATOM 549 CA ILE A 34 2.829 -10.556 0.832 1.00 0.00 C ATOM 550 C ILE A 34 3.482 -11.936 0.869 1.00 0.00 C ATOM 551 O ILE A 34 4.438 -12.161 1.610 1.00 0.00 O ATOM 552 CB ILE A 34 1.882 -10.416 2.039 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.054 -9.136 1.918 1.00 0.00 C ATOM 554 CG2 ILE A 34 2.673 -10.424 3.337 1.00 0.00 C ATOM 555 CD1 ILE A 34 -0.045 -9.029 2.953 1.00 0.00 C ATOM 0 H ILE A 34 1.114 -10.453 -0.366 1.00 0.00 H new ATOM 0 HA ILE A 34 3.599 -9.788 0.896 1.00 0.00 H new ATOM 0 HB ILE A 34 1.200 -11.267 2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.715 -8.275 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.611 -9.092 0.923 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.990 -10.324 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.221 -11.362 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.376 -9.591 3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.592 -8.097 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.729 -9.871 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.393 -9.041 3.951 1.00 0.00 H new ATOM 567 N HIS A 35 2.957 -12.855 0.064 1.00 0.00 N ATOM 568 CA HIS A 35 3.485 -14.212 0.000 1.00 0.00 C ATOM 569 C HIS A 35 4.907 -14.220 -0.546 1.00 0.00 C ATOM 570 O HIS A 35 5.711 -15.088 -0.207 1.00 0.00 O ATOM 571 CB HIS A 35 2.586 -15.084 -0.876 1.00 0.00 C ATOM 572 CG HIS A 35 1.644 -15.950 -0.102 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.400 -15.787 1.245 1.00 0.00 N ATOM 574 CD2 HIS A 35 0.881 -16.996 -0.497 1.00 0.00 C ATOM 575 CE1 HIS A 35 0.529 -16.696 1.646 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.198 -17.442 0.609 1.00 0.00 N ATOM 0 H HIS A 35 2.164 -12.683 -0.554 1.00 0.00 H new ATOM 0 HA HIS A 35 3.504 -14.617 1.012 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.010 -14.441 -1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.212 -15.716 -1.506 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.820 -17.404 -1.495 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.152 -16.809 2.652 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.458 -18.223 0.626 1.00 0.00 H new ATOM 585 N ALA A 36 5.206 -13.247 -1.393 1.00 0.00 N ATOM 586 CA ALA A 36 6.528 -13.134 -1.996 1.00 0.00 C ATOM 587 C ALA A 36 7.287 -11.927 -1.456 1.00 0.00 C ATOM 588 O ALA A 36 8.511 -11.850 -1.570 1.00 0.00 O ATOM 589 CB ALA A 36 6.408 -13.055 -3.510 1.00 0.00 C ATOM 0 H ALA A 36 4.549 -12.521 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 36 7.096 -14.026 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.402 -12.971 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.921 -13.956 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.815 -12.182 -3.783 1.00 0.00 H new ATOM 595 N GLY A 37 6.558 -10.985 -0.867 1.00 0.00 N ATOM 596 CA GLY A 37 7.185 -9.796 -0.319 1.00 0.00 C ATOM 597 C GLY A 37 7.409 -8.723 -1.366 1.00 0.00 C ATOM 598 O GLY A 37 8.362 -7.949 -1.277 1.00 0.00 O ATOM 0 H GLY A 37 5.544 -11.023 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.561 -9.395 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.141 -10.067 0.129 1.00 0.00 H new ATOM 602 N ARG A 38 6.529 -8.676 -2.361 1.00 0.00 N ATOM 603 CA ARG A 38 6.634 -7.690 -3.429 1.00 0.00 C ATOM 604 C ARG A 38 6.560 -6.272 -2.871 1.00 0.00 C ATOM 605 O ARG A 38 5.564 -5.887 -2.259 1.00 0.00 O ATOM 606 CB ARG A 38 5.526 -7.903 -4.461 1.00 0.00 C ATOM 607 CG ARG A 38 5.885 -7.403 -5.851 1.00 0.00 C ATOM 608 CD ARG A 38 4.706 -6.711 -6.516 1.00 0.00 C ATOM 609 NE ARG A 38 4.866 -6.628 -7.965 1.00 0.00 N ATOM 610 CZ ARG A 38 4.625 -7.641 -8.796 1.00 0.00 C ATOM 611 NH1 ARG A 38 4.211 -8.811 -8.326 1.00 0.00 N ATOM 612 NH2 ARG A 38 4.798 -7.483 -10.101 1.00 0.00 N ATOM 0 H ARG A 38 5.735 -9.310 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 38 7.601 -7.820 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.291 -8.966 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.623 -7.394 -4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.724 -6.711 -5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.211 -8.241 -6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.789 -7.253 -6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.596 -5.707 -6.105 1.00 0.00 H new ATOM 0 HE ARG A 38 5.180 -5.743 -8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.076 -8.939 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.028 -9.583 -8.968 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.116 -6.586 -10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.614 -8.258 -10.737 1.00 0.00 H new ATOM 626 N LYS A 39 7.620 -5.500 -3.087 1.00 0.00 N ATOM 627 CA LYS A 39 7.674 -4.124 -2.605 1.00 0.00 C ATOM 628 C LYS A 39 6.654 -3.253 -3.330 1.00 0.00 C ATOM 629 O LYS A 39 6.805 -2.958 -4.516 1.00 0.00 O ATOM 630 CB LYS A 39 9.079 -3.550 -2.797 1.00 0.00 C ATOM 631 CG LYS A 39 9.383 -2.369 -1.889 1.00 0.00 C ATOM 632 CD LYS A 39 10.813 -1.881 -2.068 1.00 0.00 C ATOM 633 CE LYS A 39 11.753 -2.513 -1.053 1.00 0.00 C ATOM 634 NZ LYS A 39 12.759 -3.397 -1.702 1.00 0.00 N ATOM 0 H LYS A 39 8.453 -5.803 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 39 7.432 -4.128 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.812 -4.336 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.197 -3.239 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.690 -1.555 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.223 -2.657 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.154 -2.116 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.843 -0.796 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.265 -1.729 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.174 -3.090 -0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.380 -3.808 -0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.272 -4.160 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.329 -2.841 -2.371 1.00 0.00 H new ATOM 648 N ILE A 40 5.612 -2.846 -2.612 1.00 0.00 N ATOM 649 CA ILE A 40 4.567 -2.010 -3.189 1.00 0.00 C ATOM 650 C ILE A 40 4.199 -0.864 -2.252 1.00 0.00 C ATOM 651 O ILE A 40 4.468 -0.921 -1.050 1.00 0.00 O ATOM 652 CB ILE A 40 3.300 -2.830 -3.501 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.661 -4.083 -4.300 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.291 -1.979 -4.260 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.460 -4.913 -4.697 1.00 0.00 C ATOM 0 H ILE A 40 5.469 -3.082 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 40 4.965 -1.602 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 40 2.846 -3.142 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.202 -3.788 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.339 -4.699 -3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.402 -2.572 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.015 -1.116 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.733 -1.639 -5.196 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.791 -5.785 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.931 -5.239 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.792 -4.314 -5.315 1.00 0.00 H new ATOM 667 N PHE A 41 3.583 0.172 -2.808 1.00 0.00 N ATOM 668 CA PHE A 41 3.176 1.331 -2.022 1.00 0.00 C ATOM 669 C PHE A 41 1.815 1.844 -2.477 1.00 0.00 C ATOM 670 O PHE A 41 1.641 2.238 -3.629 1.00 0.00 O ATOM 671 CB PHE A 41 4.217 2.447 -2.136 1.00 0.00 C ATOM 672 CG PHE A 41 5.518 2.126 -1.458 1.00 0.00 C ATOM 673 CD1 PHE A 41 5.677 2.339 -0.099 1.00 0.00 C ATOM 674 CD2 PHE A 41 6.583 1.611 -2.182 1.00 0.00 C ATOM 675 CE1 PHE A 41 6.873 2.043 0.529 1.00 0.00 C ATOM 676 CE2 PHE A 41 7.781 1.314 -1.560 1.00 0.00 C ATOM 677 CZ PHE A 41 7.927 1.530 -0.204 1.00 0.00 C ATOM 0 H PHE A 41 3.354 0.234 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 41 3.100 1.021 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.406 2.650 -3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.807 3.360 -1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.857 2.741 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.475 1.440 -3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.983 2.212 1.590 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.603 0.913 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.863 1.299 0.283 1.00 0.00 H new ATOM 687 N LEU A 42 0.850 1.835 -1.563 1.00 0.00 N ATOM 688 CA LEU A 42 -0.496 2.299 -1.871 1.00 0.00 C ATOM 689 C LEU A 42 -0.739 3.691 -1.294 1.00 0.00 C ATOM 690 O LEU A 42 -0.371 3.974 -0.154 1.00 0.00 O ATOM 691 CB LEU A 42 -1.538 1.312 -1.333 1.00 0.00 C ATOM 692 CG LEU A 42 -1.776 1.359 0.180 1.00 0.00 C ATOM 693 CD1 LEU A 42 -3.110 0.717 0.526 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.641 0.669 0.921 1.00 0.00 C ATOM 0 H LEU A 42 0.976 1.512 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.594 2.357 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.485 1.501 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.229 0.302 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.804 2.402 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.265 0.758 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.914 1.255 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.109 -0.323 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.828 0.712 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.580 -0.372 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.299 1.172 0.696 1.00 0.00 H new ATOM 706 N THR A 43 -1.357 4.556 -2.092 1.00 0.00 N ATOM 707 CA THR A 43 -1.646 5.918 -1.659 1.00 0.00 C ATOM 708 C THR A 43 -3.117 6.072 -1.291 1.00 0.00 C ATOM 709 O THR A 43 -4.003 5.813 -2.107 1.00 0.00 O ATOM 710 CB THR A 43 -1.276 6.915 -2.759 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.282 6.377 -3.611 1.00 0.00 O ATOM 712 CG2 THR A 43 -0.757 8.232 -2.220 1.00 0.00 C ATOM 0 H THR A 43 -1.666 4.339 -3.039 1.00 0.00 H new ATOM 0 HA THR A 43 -1.045 6.125 -0.773 1.00 0.00 H new ATOM 0 HB THR A 43 -2.201 7.102 -3.304 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.546 6.508 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.513 8.894 -3.051 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.522 8.697 -1.598 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.137 8.054 -1.623 1.00 0.00 H new ATOM 720 N ILE A 44 -3.371 6.498 -0.058 1.00 0.00 N ATOM 721 CA ILE A 44 -4.736 6.689 0.418 1.00 0.00 C ATOM 722 C ILE A 44 -5.276 8.053 -0.005 1.00 0.00 C ATOM 723 O ILE A 44 -4.639 9.081 0.221 1.00 0.00 O ATOM 724 CB ILE A 44 -4.819 6.570 1.952 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.115 5.296 2.425 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.270 6.579 2.407 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.149 5.107 3.926 1.00 0.00 C ATOM 0 H ILE A 44 -2.650 6.717 0.629 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.342 5.903 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.315 7.428 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.582 4.434 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.077 5.320 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.311 6.494 3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.743 7.511 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.798 5.738 1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.631 4.184 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.656 5.950 4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.184 5.050 4.262 1.00 0.00 H new ATOM 739 N ASN A 45 -6.455 8.051 -0.619 1.00 0.00 N ATOM 740 CA ASN A 45 -7.082 9.287 -1.072 1.00 0.00 C ATOM 741 C ASN A 45 -7.913 9.916 0.041 1.00 0.00 C ATOM 742 O ASN A 45 -8.176 9.286 1.065 1.00 0.00 O ATOM 743 CB ASN A 45 -7.963 9.020 -2.294 1.00 0.00 C ATOM 744 CG ASN A 45 -7.211 8.314 -3.406 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.988 8.198 -3.367 1.00 0.00 O ATOM 746 ND2 ASN A 45 -7.945 7.838 -4.406 1.00 0.00 N ATOM 0 H ASN A 45 -6.995 7.208 -0.814 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.292 9.985 -1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.819 8.414 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.356 9.965 -2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.496 7.353 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.958 7.957 -4.397 1.00 0.00 H new ATOM 753 N ALA A 46 -8.328 11.162 -0.168 1.00 0.00 N ATOM 754 CA ALA A 46 -9.132 11.876 0.816 1.00 0.00 C ATOM 755 C ALA A 46 -10.620 11.624 0.611 1.00 0.00 C ATOM 756 O ALA A 46 -11.460 12.253 1.256 1.00 0.00 O ATOM 757 CB ALA A 46 -8.837 13.367 0.752 1.00 0.00 C ATOM 0 H ALA A 46 -8.120 11.698 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.864 11.500 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.443 13.890 1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.781 13.538 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.075 13.743 -0.243 1.00 0.00 H new ATOM 763 N ASP A 47 -10.950 10.703 -0.293 1.00 0.00 N ATOM 764 CA ASP A 47 -12.340 10.374 -0.580 1.00 0.00 C ATOM 765 C ASP A 47 -12.700 8.996 -0.032 1.00 0.00 C ATOM 766 O ASP A 47 -13.880 8.683 0.161 1.00 0.00 O ATOM 767 CB ASP A 47 -12.600 10.418 -2.090 1.00 0.00 C ATOM 768 CG ASP A 47 -11.340 10.276 -2.922 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.550 11.242 -2.969 1.00 0.00 O ATOM 770 OD2 ASP A 47 -11.140 9.200 -3.525 1.00 0.00 O ATOM 0 H ASP A 47 -10.271 10.172 -0.838 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.968 11.117 -0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.294 9.620 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.087 11.360 -2.340 1.00 0.00 H new ATOM 775 N GLY A 48 -11.680 8.177 0.214 1.00 0.00 N ATOM 776 CA GLY A 48 -11.910 6.842 0.733 1.00 0.00 C ATOM 777 C GLY A 48 -11.430 5.756 -0.210 1.00 0.00 C ATOM 778 O GLY A 48 -11.670 4.572 0.021 1.00 0.00 O ATOM 0 H GLY A 48 -10.700 8.415 0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.401 6.737 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.975 6.709 0.922 1.00 0.00 H new ATOM 782 N SER A 49 -10.740 6.160 -1.276 1.00 0.00 N ATOM 783 CA SER A 49 -10.220 5.210 -2.251 1.00 0.00 C ATOM 784 C SER A 49 -8.714 5.041 -2.090 1.00 0.00 C ATOM 785 O SER A 49 -8.057 5.850 -1.438 1.00 0.00 O ATOM 786 CB SER A 49 -10.550 5.670 -3.669 1.00 0.00 C ATOM 787 OG SER A 49 -11.380 4.733 -4.329 1.00 0.00 O ATOM 0 H SER A 49 -10.530 7.136 -1.484 1.00 0.00 H new ATOM 0 HA SER A 49 -10.696 4.245 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.047 6.639 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.628 5.805 -4.234 1.00 0.00 H new ATOM 0 HG SER A 49 -11.578 5.052 -5.234 1.00 0.00 H new ATOM 793 N VAL A 50 -8.174 3.985 -2.686 1.00 0.00 N ATOM 794 CA VAL A 50 -6.743 3.714 -2.604 1.00 0.00 C ATOM 795 C VAL A 50 -6.236 3.059 -3.883 1.00 0.00 C ATOM 796 O VAL A 50 -6.979 2.362 -4.574 1.00 0.00 O ATOM 797 CB VAL A 50 -6.402 2.804 -1.406 1.00 0.00 C ATOM 798 CG1 VAL A 50 -4.939 2.953 -1.026 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.300 3.114 -0.215 1.00 0.00 C ATOM 0 H VAL A 50 -8.703 3.304 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.250 4.676 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.579 1.770 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.715 2.304 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.313 2.673 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.738 3.989 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.040 2.459 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.162 4.153 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.341 2.952 -0.493 1.00 0.00 H new ATOM 809 N TYR A 51 -4.963 3.283 -4.193 1.00 0.00 N ATOM 810 CA TYR A 51 -4.356 2.712 -5.390 1.00 0.00 C ATOM 811 C TYR A 51 -2.915 2.294 -5.123 1.00 0.00 C ATOM 812 O TYR A 51 -2.106 3.087 -4.640 1.00 0.00 O ATOM 813 CB TYR A 51 -4.405 3.718 -6.543 1.00 0.00 C ATOM 814 CG TYR A 51 -3.593 4.968 -6.293 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.248 5.024 -6.632 1.00 0.00 C ATOM 816 CD2 TYR A 51 -4.173 6.093 -5.721 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.501 6.166 -6.407 1.00 0.00 C ATOM 818 CE2 TYR A 51 -3.434 7.238 -5.493 1.00 0.00 C ATOM 819 CZ TYR A 51 -2.099 7.270 -5.837 1.00 0.00 C ATOM 820 OH TYR A 51 -1.360 8.408 -5.611 1.00 0.00 O ATOM 0 H TYR A 51 -4.332 3.856 -3.632 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.926 1.825 -5.668 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.042 3.235 -7.450 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.442 3.999 -6.724 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.777 4.161 -7.079 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.218 6.072 -5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.455 6.193 -6.676 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.900 8.104 -5.047 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.931 9.093 -5.205 1.00 0.00 H new ATOM 830 N ALA A 52 -2.599 1.042 -5.440 1.00 0.00 N ATOM 831 CA ALA A 52 -1.254 0.517 -5.233 1.00 0.00 C ATOM 832 C ALA A 52 -0.323 0.930 -6.370 1.00 0.00 C ATOM 833 O ALA A 52 -0.603 0.669 -7.540 1.00 0.00 O ATOM 834 CB ALA A 52 -1.293 -0.998 -5.105 1.00 0.00 C ATOM 0 H ALA A 52 -3.256 0.373 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.864 0.939 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.282 -1.376 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.918 -1.275 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.707 -1.430 -6.016 1.00 0.00 H new ATOM 840 N GLU A 53 0.783 1.573 -6.016 1.00 0.00 N ATOM 841 CA GLU A 53 1.757 2.020 -7.007 1.00 0.00 C ATOM 842 C GLU A 53 3.000 1.138 -6.984 1.00 0.00 C ATOM 843 O GLU A 53 3.311 0.511 -5.971 1.00 0.00 O ATOM 844 CB GLU A 53 2.144 3.478 -6.749 1.00 0.00 C ATOM 845 CG GLU A 53 1.361 4.473 -7.591 1.00 0.00 C ATOM 846 CD GLU A 53 1.889 5.889 -7.464 1.00 0.00 C ATOM 847 OE1 GLU A 53 2.525 6.194 -6.434 1.00 0.00 O ATOM 848 OE2 GLU A 53 1.665 6.690 -8.394 1.00 0.00 O ATOM 0 H GLU A 53 1.029 1.797 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 53 1.299 1.942 -7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.989 3.705 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.208 3.604 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.399 4.168 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.313 4.452 -7.291 1.00 0.00 H new ATOM 855 N GLU A 54 3.709 1.092 -8.108 1.00 0.00 N ATOM 856 CA GLU A 54 4.918 0.286 -8.218 1.00 0.00 C ATOM 857 C GLU A 54 6.158 1.173 -8.279 1.00 0.00 C ATOM 858 O GLU A 54 6.117 2.281 -8.813 1.00 0.00 O ATOM 859 CB GLU A 54 4.853 -0.603 -9.459 1.00 0.00 C ATOM 860 CG GLU A 54 5.532 -1.951 -9.279 1.00 0.00 C ATOM 861 CD GLU A 54 6.349 -2.359 -10.491 1.00 0.00 C ATOM 862 OE1 GLU A 54 5.948 -2.013 -11.621 1.00 0.00 O ATOM 863 OE2 GLU A 54 7.390 -3.024 -10.307 1.00 0.00 O ATOM 0 H GLU A 54 3.466 1.604 -8.956 1.00 0.00 H new ATOM 0 HA GLU A 54 4.986 -0.345 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.808 -0.765 -9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.318 -0.080 -10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.181 -1.913 -8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.776 -2.711 -9.082 1.00 0.00 H new ATOM 870 N VAL A 55 7.260 0.674 -7.728 1.00 0.00 N ATOM 871 CA VAL A 55 8.513 1.419 -7.720 1.00 0.00 C ATOM 872 C VAL A 55 9.226 1.309 -9.063 1.00 0.00 C ATOM 873 O VAL A 55 10.081 0.444 -9.255 1.00 0.00 O ATOM 874 CB VAL A 55 9.457 0.920 -6.608 1.00 0.00 C ATOM 875 CG1 VAL A 55 10.688 1.807 -6.511 1.00 0.00 C ATOM 876 CG2 VAL A 55 8.728 0.861 -5.274 1.00 0.00 C ATOM 0 H VAL A 55 7.310 -0.242 -7.282 1.00 0.00 H new ATOM 0 HA VAL A 55 8.259 2.462 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 55 9.784 -0.088 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.341 1.438 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.223 1.792 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.383 2.828 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.411 0.507 -4.502 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.368 1.856 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.882 0.178 -5.352 1.00 0.00 H new ATOM 886 N LYS A 56 8.866 2.189 -9.992 1.00 0.00 N ATOM 887 CA LYS A 56 9.471 2.192 -11.319 1.00 0.00 C ATOM 888 C LYS A 56 9.721 3.620 -11.801 1.00 0.00 C ATOM 889 O LYS A 56 8.783 4.337 -12.150 1.00 0.00 O ATOM 890 CB LYS A 56 8.566 1.458 -12.312 1.00 0.00 C ATOM 891 CG LYS A 56 9.321 0.536 -13.256 1.00 0.00 C ATOM 892 CD LYS A 56 8.422 -0.563 -13.800 1.00 0.00 C ATOM 893 CE LYS A 56 9.110 -1.351 -14.901 1.00 0.00 C ATOM 894 NZ LYS A 56 8.685 -0.901 -16.255 1.00 0.00 N ATOM 0 H LYS A 56 8.158 2.909 -9.850 1.00 0.00 H new ATOM 0 HA LYS A 56 10.429 1.676 -11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.831 0.874 -11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.014 2.192 -12.899 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.729 1.116 -14.083 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.166 0.090 -12.732 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.139 -1.237 -12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.502 -0.124 -14.186 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.190 -1.242 -14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.885 -2.411 -14.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.177 -1.464 -16.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.658 -1.029 -16.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.923 0.104 -16.377 1.00 0.00 H new ATOM 908 N PRO A 57 10.996 4.057 -11.829 1.00 0.00 N ATOM 909 CA PRO A 57 11.356 5.407 -12.273 1.00 0.00 C ATOM 910 C PRO A 57 10.713 5.773 -13.607 1.00 0.00 C ATOM 911 O PRO A 57 10.715 4.979 -14.548 1.00 0.00 O ATOM 912 CB PRO A 57 12.876 5.339 -12.414 1.00 0.00 C ATOM 913 CG PRO A 57 13.296 4.283 -11.451 1.00 0.00 C ATOM 914 CD PRO A 57 12.180 3.273 -11.432 1.00 0.00 C ATOM 0 HA PRO A 57 11.011 6.170 -11.575 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.169 5.085 -13.433 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.339 6.297 -12.178 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.234 3.823 -11.761 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.460 4.703 -10.458 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.369 2.453 -12.125 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.055 2.832 -10.443 1.00 0.00 H new ATOM 922 N ASP A 58 10.162 6.981 -13.681 1.00 0.00 N ATOM 923 CA ASP A 58 9.514 7.451 -14.901 1.00 0.00 C ATOM 924 C ASP A 58 10.416 8.432 -15.651 1.00 0.00 C ATOM 925 O ASP A 58 10.401 9.632 -15.377 1.00 0.00 O ATOM 926 CB ASP A 58 8.177 8.120 -14.565 1.00 0.00 C ATOM 927 CG ASP A 58 6.996 7.377 -15.160 1.00 0.00 C ATOM 928 OD1 ASP A 58 7.181 6.693 -16.189 1.00 0.00 O ATOM 929 OD2 ASP A 58 5.886 7.478 -14.595 1.00 0.00 O ATOM 0 H ASP A 58 10.151 7.651 -12.912 1.00 0.00 H new ATOM 0 HA ASP A 58 9.330 6.590 -15.544 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.062 8.173 -13.482 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.183 9.145 -14.936 1.00 0.00 H new ATOM 934 N PRO A 59 11.214 7.933 -16.612 1.00 0.00 N ATOM 935 CA PRO A 59 12.121 8.778 -17.398 1.00 0.00 C ATOM 936 C PRO A 59 11.369 9.721 -18.330 1.00 0.00 C ATOM 937 O PRO A 59 11.266 9.472 -19.531 1.00 0.00 O ATOM 938 CB PRO A 59 12.943 7.767 -18.203 1.00 0.00 C ATOM 939 CG PRO A 59 12.077 6.557 -18.290 1.00 0.00 C ATOM 940 CD PRO A 59 11.297 6.514 -17.007 1.00 0.00 C ATOM 0 HA PRO A 59 12.726 9.427 -16.765 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.185 8.153 -19.193 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.888 7.542 -17.709 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.410 6.615 -19.150 1.00 0.00 H new ATOM 0 HG3 PRO A 59 12.677 5.655 -18.412 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.308 6.078 -17.152 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.802 5.914 -16.249 1.00 0.00 H new ATOM 948 N SER A 60 10.846 10.806 -17.768 1.00 0.00 N ATOM 949 CA SER A 60 10.103 11.789 -18.549 1.00 0.00 C ATOM 950 C SER A 60 11.006 12.944 -18.970 1.00 0.00 C ATOM 951 O SER A 60 11.171 13.215 -20.159 1.00 0.00 O ATOM 952 CB SER A 60 8.917 12.321 -17.742 1.00 0.00 C ATOM 953 OG SER A 60 7.831 12.652 -18.590 1.00 0.00 O ATOM 0 H SER A 60 10.923 11.027 -16.775 1.00 0.00 H new ATOM 0 HA SER A 60 9.731 11.297 -19.447 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.601 11.571 -17.017 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.223 13.202 -17.177 1.00 0.00 H new ATOM 0 HG SER A 60 7.085 12.988 -18.050 1.00 0.00 H new ATOM 959 N ASN A 61 11.589 13.620 -17.984 1.00 0.00 N ATOM 960 CA ASN A 61 12.475 14.748 -18.252 1.00 0.00 C ATOM 961 C ASN A 61 13.914 14.274 -18.442 1.00 0.00 C ATOM 962 O ASN A 61 14.830 14.749 -17.769 1.00 0.00 O ATOM 963 CB ASN A 61 12.404 15.761 -17.108 1.00 0.00 C ATOM 964 CG ASN A 61 10.988 16.236 -16.844 1.00 0.00 C ATOM 965 OD1 ASN A 61 10.210 16.454 -17.772 1.00 0.00 O ATOM 966 ND2 ASN A 61 10.646 16.398 -15.571 1.00 0.00 N ATOM 0 H ASN A 61 11.464 13.407 -16.994 1.00 0.00 H new ATOM 0 HA ASN A 61 12.145 15.229 -19.173 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.808 15.310 -16.202 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.034 16.618 -17.346 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.706 16.715 -15.332 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.323 16.206 -14.833 1.00 0.00 H new ATOM 973 N LYS A 62 14.105 13.335 -19.363 1.00 0.00 N ATOM 974 CA LYS A 62 15.431 12.797 -19.642 1.00 0.00 C ATOM 975 C LYS A 62 15.577 12.444 -21.119 1.00 0.00 C ATOM 976 O LYS A 62 16.561 12.809 -21.761 1.00 0.00 O ATOM 977 CB LYS A 62 15.695 11.559 -18.782 1.00 0.00 C ATOM 978 CG LYS A 62 17.117 11.037 -18.887 1.00 0.00 C ATOM 979 CD LYS A 62 17.991 11.570 -17.763 1.00 0.00 C ATOM 980 CE LYS A 62 19.439 11.713 -18.203 1.00 0.00 C ATOM 981 NZ LYS A 62 19.691 13.022 -18.868 1.00 0.00 N ATOM 0 H LYS A 62 13.358 12.931 -19.929 1.00 0.00 H new ATOM 0 HA LYS A 62 16.165 13.565 -19.396 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.481 11.798 -17.740 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.004 10.769 -19.076 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.109 9.947 -18.857 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.542 11.327 -19.848 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.612 12.538 -17.434 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.935 10.898 -16.907 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.093 11.614 -17.337 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.692 10.903 -18.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.690 13.080 -19.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.085 13.106 -19.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.474 13.795 -18.207 1.00 0.00 H new ATOM 995 N LYS A 63 14.588 11.732 -21.651 1.00 0.00 N ATOM 996 CA LYS A 63 14.606 11.329 -23.053 1.00 0.00 C ATOM 997 C LYS A 63 13.188 11.214 -23.603 1.00 0.00 C ATOM 998 O LYS A 63 12.211 11.356 -22.867 1.00 0.00 O ATOM 999 CB LYS A 63 15.340 9.995 -23.213 1.00 0.00 C ATOM 1000 CG LYS A 63 16.790 10.148 -23.647 1.00 0.00 C ATOM 1001 CD LYS A 63 17.202 9.045 -24.607 1.00 0.00 C ATOM 1002 CE LYS A 63 18.699 9.066 -24.870 1.00 0.00 C ATOM 1003 NZ LYS A 63 19.056 8.327 -26.111 1.00 0.00 N ATOM 0 H LYS A 63 13.765 11.423 -21.133 1.00 0.00 H new ATOM 0 HA LYS A 63 15.135 12.095 -23.620 1.00 0.00 H new ATOM 0 HB2 LYS A 63 15.307 9.456 -22.266 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.812 9.385 -23.946 1.00 0.00 H new ATOM 0 HG2 LYS A 63 16.928 11.118 -24.125 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.437 10.130 -22.770 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.918 8.077 -24.194 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.664 9.161 -25.548 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.038 10.099 -24.952 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.223 8.625 -24.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.085 8.365 -26.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.755 7.335 -26.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.577 8.763 -26.925 1.00 0.00 H new ATOM 1017 N THR A 64 13.082 10.959 -24.903 1.00 0.00 N ATOM 1018 CA THR A 64 11.783 10.825 -25.552 1.00 0.00 C ATOM 1019 C THR A 64 11.845 9.817 -26.695 1.00 0.00 C ATOM 1020 O THR A 64 12.120 10.177 -27.839 1.00 0.00 O ATOM 1021 CB THR A 64 11.312 12.181 -26.078 1.00 0.00 C ATOM 1022 OG1 THR A 64 11.631 13.213 -25.162 1.00 0.00 O ATOM 1023 CG2 THR A 64 9.820 12.239 -26.332 1.00 0.00 C ATOM 0 H THR A 64 13.880 10.841 -25.528 1.00 0.00 H new ATOM 0 HA THR A 64 11.071 10.462 -24.811 1.00 0.00 H new ATOM 0 HB THR A 64 11.832 12.319 -27.026 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.323 14.073 -25.517 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.552 13.228 -26.704 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.547 11.487 -27.073 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.285 12.044 -25.403 1.00 0.00 H new ATOM 1031 N THR A 65 11.588 8.553 -26.377 1.00 0.00 N ATOM 1032 CA THR A 65 11.613 7.491 -27.377 1.00 0.00 C ATOM 1033 C THR A 65 10.233 6.861 -27.536 1.00 0.00 C ATOM 1034 O THR A 65 9.730 6.718 -28.650 1.00 0.00 O ATOM 1035 CB THR A 65 12.633 6.420 -26.988 1.00 0.00 C ATOM 1036 OG1 THR A 65 13.829 7.015 -26.515 1.00 0.00 O ATOM 1037 CG2 THR A 65 13.000 5.500 -28.131 1.00 0.00 C ATOM 0 H THR A 65 11.360 8.238 -25.434 1.00 0.00 H new ATOM 0 HA THR A 65 11.904 7.931 -28.331 1.00 0.00 H new ATOM 0 HB THR A 65 12.150 5.830 -26.209 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.468 6.314 -26.270 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.727 4.764 -27.787 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.106 4.988 -28.487 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.432 6.084 -28.944 1.00 0.00 H new ATOM 1045 N ALA A 66 9.627 6.486 -26.414 1.00 0.00 N ATOM 1046 CA ALA A 66 8.305 5.871 -26.429 1.00 0.00 C ATOM 1047 C ALA A 66 8.315 4.568 -27.220 1.00 0.00 C ATOM 1048 O ALA A 66 9.416 4.107 -27.587 1.00 0.00 O ATOM 1049 CB ALA A 66 7.282 6.835 -27.008 1.00 0.00 C ATOM 1050 OXT ALA A 66 7.220 4.017 -27.468 1.00 0.00 O ATOM 0 H ALA A 66 10.030 6.597 -25.484 1.00 0.00 H new ATOM 0 HA ALA A 66 8.027 5.639 -25.401 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.300 6.363 -27.013 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.247 7.738 -26.399 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.565 7.096 -28.028 1.00 0.00 H new TER 1056 ALA A 66