USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 60 ASN : amide:sc= -0.0136 X(o=-0.41,f=-0.62) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.392 X(o=-0.41,f=-0.43) USER MOD Set 2.1: A 22 THR OG1 : rot 148:sc= 1.25 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.1 X(o=1.2,f=1.3) USER MOD Set 3.1: A 7 THR OG1 : rot 126:sc= 0.819 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.883 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 1.25 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc= 0.22 X(o=0.22,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0113) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 14 THR OG1 : rot -99:sc= 0.195 USER MOD Single : A 20 SER OG : rot -30:sc= 0.196 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.05) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 1.19 (180deg=1.16) USER MOD Single : A 31 GLN : amide:sc= -0.858 K(o=-0.86,f=-0.073) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= 1.88 (180deg=0.916) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 41 ASN : amide:sc= -1.29 X(o=-1.3,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.542 K(o=0.54,f=-0.047) USER MOD Single : A 55 THR OG1 : rot -69:sc= 0.658 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 166:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -91:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00348 USER MOD Single : A 68 HIS : no HD1:sc= -0.561 X(o=-0.56,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.346 -2.194 3.826 1.00 0.00 N ATOM 2 CA MET A 1 -12.983 -2.554 2.439 1.00 0.00 C ATOM 3 C MET A 1 -11.757 -3.461 2.425 1.00 0.00 C ATOM 4 O MET A 1 -11.015 -3.513 3.403 1.00 0.00 O ATOM 5 CB MET A 1 -12.623 -1.319 1.593 1.00 0.00 C ATOM 6 CG MET A 1 -13.785 -0.352 1.447 1.00 0.00 C ATOM 7 SD MET A 1 -13.460 1.095 0.408 1.00 0.00 S ATOM 8 CE MET A 1 -15.147 1.752 0.370 1.00 0.00 C ATOM 0 H1 MET A 1 -14.301 -1.783 3.839 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.328 -3.046 4.422 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.665 -1.500 4.194 1.00 0.00 H new ATOM 0 HA MET A 1 -13.857 -3.052 2.020 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.780 -0.802 2.052 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.298 -1.643 0.604 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.636 -0.892 1.033 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.077 -0.008 2.439 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.170 2.662 -0.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.816 1.012 -0.069 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.472 1.979 1.385 1.00 0.00 H new ATOM 18 N GLN A 2 -11.491 -4.151 1.313 1.00 0.00 N ATOM 19 CA GLN A 2 -10.329 -5.017 1.145 1.00 0.00 C ATOM 20 C GLN A 2 -9.688 -4.692 -0.200 1.00 0.00 C ATOM 21 O GLN A 2 -10.388 -4.245 -1.109 1.00 0.00 O ATOM 22 CB GLN A 2 -10.693 -6.515 1.233 1.00 0.00 C ATOM 23 CG GLN A 2 -11.331 -7.093 -0.048 1.00 0.00 C ATOM 24 CD GLN A 2 -11.540 -8.600 0.040 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.376 -9.085 0.802 1.00 0.00 O ATOM 26 NE2 GLN A 2 -10.786 -9.373 -0.724 1.00 0.00 N ATOM 0 H GLN A 2 -12.092 -4.120 0.489 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.628 -4.830 1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.791 -7.082 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.382 -6.661 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.289 -6.605 -0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.694 -6.866 -0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.098 -8.955 -1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.893 -10.387 -0.687 1.00 0.00 H new ATOM 35 N ILE A 3 -8.386 -4.927 -0.346 1.00 0.00 N ATOM 36 CA ILE A 3 -7.630 -4.714 -1.582 1.00 0.00 C ATOM 37 C ILE A 3 -6.524 -5.773 -1.619 1.00 0.00 C ATOM 38 O ILE A 3 -6.155 -6.331 -0.577 1.00 0.00 O ATOM 39 CB ILE A 3 -7.084 -3.270 -1.760 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.806 -2.937 -0.967 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.148 -2.181 -1.520 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.928 -3.075 0.544 1.00 0.00 C ATOM 0 H ILE A 3 -7.808 -5.282 0.416 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.302 -4.825 -2.433 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.800 -3.261 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.003 -3.589 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.509 -1.914 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.700 -1.197 -1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.967 -2.311 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.530 -2.264 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.977 -2.819 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.704 -2.402 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.191 -4.103 0.795 1.00 0.00 H new ATOM 54 N PHE A 4 -5.981 -6.039 -2.805 1.00 0.00 N ATOM 55 CA PHE A 4 -4.926 -7.026 -3.001 1.00 0.00 C ATOM 56 C PHE A 4 -3.585 -6.310 -3.153 1.00 0.00 C ATOM 57 O PHE A 4 -3.517 -5.181 -3.644 1.00 0.00 O ATOM 58 CB PHE A 4 -5.292 -7.951 -4.165 1.00 0.00 C ATOM 59 CG PHE A 4 -6.645 -8.618 -3.969 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.778 -9.690 -3.062 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.788 -8.118 -4.629 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.038 -10.281 -2.853 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.051 -8.691 -4.395 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.173 -9.787 -3.524 1.00 0.00 C ATOM 0 H PHE A 4 -6.265 -5.570 -3.665 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.824 -7.675 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.303 -7.378 -5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.524 -8.717 -4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.914 -10.057 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.692 -7.291 -5.317 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.135 -11.116 -2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.926 -8.289 -4.884 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.136 -10.250 -3.369 1.00 0.00 H new ATOM 74 N VAL A 5 -2.510 -6.982 -2.765 1.00 0.00 N ATOM 75 CA VAL A 5 -1.141 -6.496 -2.774 1.00 0.00 C ATOM 76 C VAL A 5 -0.228 -7.535 -3.421 1.00 0.00 C ATOM 77 O VAL A 5 0.034 -8.585 -2.832 1.00 0.00 O ATOM 78 CB VAL A 5 -0.755 -6.201 -1.301 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.736 -5.946 -1.032 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.544 -4.992 -0.768 1.00 0.00 C ATOM 0 H VAL A 5 -2.576 -7.938 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.035 -5.584 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.009 -7.125 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.886 -5.751 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.314 -6.822 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.067 -5.083 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.260 -4.800 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.319 -4.115 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.612 -5.204 -0.818 1.00 0.00 H new ATOM 90 N LYS A 6 0.201 -7.288 -4.663 1.00 0.00 N ATOM 91 CA LYS A 6 1.122 -8.170 -5.368 1.00 0.00 C ATOM 92 C LYS A 6 2.503 -7.821 -4.815 1.00 0.00 C ATOM 93 O LYS A 6 2.856 -6.633 -4.767 1.00 0.00 O ATOM 94 CB LYS A 6 1.057 -7.949 -6.889 1.00 0.00 C ATOM 95 CG LYS A 6 1.378 -9.225 -7.689 1.00 0.00 C ATOM 96 CD LYS A 6 0.231 -10.250 -7.655 1.00 0.00 C ATOM 97 CE LYS A 6 -1.073 -9.808 -8.335 1.00 0.00 C ATOM 98 NZ LYS A 6 -0.974 -9.780 -9.805 1.00 0.00 N ATOM 0 H LYS A 6 -0.083 -6.471 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 6 0.875 -9.221 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.061 -7.597 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.759 -7.164 -7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.590 -8.957 -8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.282 -9.683 -7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.574 -11.169 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.014 -10.491 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.876 -10.485 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.346 -8.816 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.883 -9.475 -10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.228 -9.114 -10.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.742 -10.731 -10.155 1.00 0.00 H new ATOM 112 N THR A 7 3.246 -8.801 -4.325 1.00 0.00 N ATOM 113 CA THR A 7 4.575 -8.566 -3.762 1.00 0.00 C ATOM 114 C THR A 7 5.658 -8.612 -4.848 1.00 0.00 C ATOM 115 O THR A 7 5.411 -9.095 -5.954 1.00 0.00 O ATOM 116 CB THR A 7 4.847 -9.609 -2.665 1.00 0.00 C ATOM 117 OG1 THR A 7 5.085 -10.856 -3.270 1.00 0.00 O ATOM 118 CG2 THR A 7 3.678 -9.759 -1.678 1.00 0.00 C ATOM 0 H THR A 7 2.951 -9.777 -4.304 1.00 0.00 H new ATOM 0 HA THR A 7 4.605 -7.567 -3.326 1.00 0.00 H new ATOM 0 HB THR A 7 5.713 -9.264 -2.100 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.945 -11.211 -2.961 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.929 -10.509 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.491 -8.804 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.784 -10.071 -2.218 1.00 0.00 H new ATOM 126 N LEU A 8 6.878 -8.155 -4.526 1.00 0.00 N ATOM 127 CA LEU A 8 8.002 -8.184 -5.466 1.00 0.00 C ATOM 128 C LEU A 8 8.397 -9.637 -5.747 1.00 0.00 C ATOM 129 O LEU A 8 9.002 -9.908 -6.780 1.00 0.00 O ATOM 130 CB LEU A 8 9.229 -7.424 -4.927 1.00 0.00 C ATOM 131 CG LEU A 8 9.109 -5.892 -4.981 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.293 -5.263 -4.240 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.094 -5.385 -6.430 1.00 0.00 C ATOM 0 H LEU A 8 7.109 -7.759 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 8 7.676 -7.690 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.401 -7.725 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.107 -7.727 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 8 8.170 -5.607 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.210 -4.177 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.288 -5.592 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.225 -5.572 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.008 -4.298 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.018 -5.678 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.245 -5.818 -6.958 1.00 0.00 H new ATOM 145 N THR A 9 8.072 -10.567 -4.843 1.00 0.00 N ATOM 146 CA THR A 9 8.356 -11.990 -4.991 1.00 0.00 C ATOM 147 C THR A 9 7.317 -12.664 -5.913 1.00 0.00 C ATOM 148 O THR A 9 7.337 -13.886 -6.076 1.00 0.00 O ATOM 149 CB THR A 9 8.462 -12.652 -3.603 1.00 0.00 C ATOM 150 OG1 THR A 9 7.313 -12.429 -2.803 1.00 0.00 O ATOM 151 CG2 THR A 9 9.661 -12.106 -2.824 1.00 0.00 C ATOM 0 H THR A 9 7.594 -10.342 -3.971 1.00 0.00 H new ATOM 0 HA THR A 9 9.321 -12.122 -5.480 1.00 0.00 H new ATOM 0 HB THR A 9 8.570 -13.719 -3.798 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.428 -12.869 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.712 -12.590 -1.849 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.578 -12.308 -3.378 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.548 -11.030 -2.690 1.00 0.00 H new ATOM 159 N GLY A 10 6.394 -11.885 -6.495 1.00 0.00 N ATOM 160 CA GLY A 10 5.339 -12.324 -7.404 1.00 0.00 C ATOM 161 C GLY A 10 4.183 -12.996 -6.674 1.00 0.00 C ATOM 162 O GLY A 10 3.390 -13.708 -7.289 1.00 0.00 O ATOM 0 H GLY A 10 6.367 -10.878 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.963 -11.466 -7.961 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.757 -13.018 -8.133 1.00 0.00 H new ATOM 166 N LYS A 11 4.137 -12.837 -5.355 1.00 0.00 N ATOM 167 CA LYS A 11 3.147 -13.393 -4.450 1.00 0.00 C ATOM 168 C LYS A 11 1.971 -12.439 -4.342 1.00 0.00 C ATOM 169 O LYS A 11 1.937 -11.391 -4.986 1.00 0.00 O ATOM 170 CB LYS A 11 3.822 -13.530 -3.078 1.00 0.00 C ATOM 171 CG LYS A 11 3.321 -14.726 -2.278 1.00 0.00 C ATOM 172 CD LYS A 11 3.799 -14.634 -0.826 1.00 0.00 C ATOM 173 CE LYS A 11 2.922 -13.666 -0.019 1.00 0.00 C ATOM 174 NZ LYS A 11 3.472 -13.437 1.329 1.00 0.00 N ATOM 0 H LYS A 11 4.836 -12.281 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 11 2.784 -14.357 -4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.899 -13.620 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.651 -12.620 -2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.232 -14.761 -2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.682 -15.650 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.773 -15.622 -0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.836 -14.298 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.844 -12.716 -0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.912 -14.069 0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.838 -12.806 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.555 -14.345 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.412 -12.998 1.251 1.00 0.00 H new ATOM 188 N THR A 12 0.985 -12.767 -3.515 1.00 0.00 N ATOM 189 CA THR A 12 -0.168 -11.918 -3.289 1.00 0.00 C ATOM 190 C THR A 12 -0.501 -11.992 -1.801 1.00 0.00 C ATOM 191 O THR A 12 -0.287 -13.016 -1.141 1.00 0.00 O ATOM 192 CB THR A 12 -1.339 -12.311 -4.207 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.873 -12.462 -5.533 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.439 -11.245 -4.243 1.00 0.00 C ATOM 0 H THR A 12 0.967 -13.636 -2.981 1.00 0.00 H new ATOM 0 HA THR A 12 0.046 -10.881 -3.548 1.00 0.00 H new ATOM 0 HB THR A 12 -1.748 -13.238 -3.806 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.620 -12.714 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.241 -11.572 -4.905 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.835 -11.097 -3.238 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.024 -10.307 -4.611 1.00 0.00 H new ATOM 202 N ILE A 13 -0.974 -10.870 -1.276 1.00 0.00 N ATOM 203 CA ILE A 13 -1.408 -10.636 0.093 1.00 0.00 C ATOM 204 C ILE A 13 -2.691 -9.800 -0.042 1.00 0.00 C ATOM 205 O ILE A 13 -2.878 -9.114 -1.048 1.00 0.00 O ATOM 206 CB ILE A 13 -0.295 -9.897 0.893 1.00 0.00 C ATOM 207 CG1 ILE A 13 1.030 -10.696 0.859 1.00 0.00 C ATOM 208 CG2 ILE A 13 -0.724 -9.632 2.353 1.00 0.00 C ATOM 209 CD1 ILE A 13 2.208 -10.046 1.597 1.00 0.00 C ATOM 0 H ILE A 13 -1.072 -10.030 -1.846 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.599 -11.556 0.645 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.135 -8.933 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.852 -11.681 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.315 -10.850 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.078 -9.115 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.622 -9.014 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.932 -10.580 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.087 -10.685 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.423 -9.073 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.952 -9.917 2.649 1.00 0.00 H new ATOM 221 N THR A 14 -3.576 -9.835 0.948 1.00 0.00 N ATOM 222 CA THR A 14 -4.818 -9.076 0.985 1.00 0.00 C ATOM 223 C THR A 14 -4.786 -8.269 2.282 1.00 0.00 C ATOM 224 O THR A 14 -4.274 -8.758 3.293 1.00 0.00 O ATOM 225 CB THR A 14 -6.032 -10.018 0.956 1.00 0.00 C ATOM 226 OG1 THR A 14 -5.870 -11.030 -0.021 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.324 -9.252 0.645 1.00 0.00 C ATOM 0 H THR A 14 -3.442 -10.414 1.777 1.00 0.00 H new ATOM 0 HA THR A 14 -4.909 -8.422 0.117 1.00 0.00 H new ATOM 0 HB THR A 14 -6.102 -10.468 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.362 -10.784 -0.832 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.164 -9.946 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.491 -8.495 1.411 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.236 -8.770 -0.329 1.00 0.00 H new ATOM 235 N LEU A 15 -5.272 -7.027 2.256 1.00 0.00 N ATOM 236 CA LEU A 15 -5.331 -6.160 3.431 1.00 0.00 C ATOM 237 C LEU A 15 -6.769 -5.677 3.562 1.00 0.00 C ATOM 238 O LEU A 15 -7.525 -5.699 2.587 1.00 0.00 O ATOM 239 CB LEU A 15 -4.416 -4.918 3.344 1.00 0.00 C ATOM 240 CG LEU A 15 -2.991 -5.089 2.801 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.317 -3.713 2.704 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.151 -5.975 3.712 1.00 0.00 C ATOM 0 H LEU A 15 -5.639 -6.592 1.410 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.987 -6.743 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.920 -4.179 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.340 -4.493 4.345 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.059 -5.559 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.304 -3.830 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.889 -3.074 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.278 -3.256 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.148 -6.075 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.091 -5.525 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.612 -6.960 3.788 1.00 0.00 H new ATOM 254 N GLU A 16 -7.111 -5.196 4.749 1.00 0.00 N ATOM 255 CA GLU A 16 -8.410 -4.656 5.106 1.00 0.00 C ATOM 256 C GLU A 16 -8.147 -3.178 5.396 1.00 0.00 C ATOM 257 O GLU A 16 -7.279 -2.862 6.211 1.00 0.00 O ATOM 258 CB GLU A 16 -8.973 -5.430 6.296 1.00 0.00 C ATOM 259 CG GLU A 16 -10.372 -4.920 6.635 1.00 0.00 C ATOM 260 CD GLU A 16 -10.992 -5.755 7.744 1.00 0.00 C ATOM 261 OE1 GLU A 16 -11.659 -6.765 7.424 1.00 0.00 O ATOM 262 OE2 GLU A 16 -10.892 -5.348 8.926 1.00 0.00 O ATOM 0 H GLU A 16 -6.453 -5.172 5.528 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.164 -4.751 4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.011 -6.494 6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.316 -5.316 7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.319 -3.876 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.004 -4.958 5.747 1.00 0.00 H new ATOM 269 N VAL A 17 -8.828 -2.275 4.698 1.00 0.00 N ATOM 270 CA VAL A 17 -8.683 -0.825 4.798 1.00 0.00 C ATOM 271 C VAL A 17 -10.045 -0.132 4.714 1.00 0.00 C ATOM 272 O VAL A 17 -11.065 -0.795 4.534 1.00 0.00 O ATOM 273 CB VAL A 17 -7.802 -0.359 3.613 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.400 -0.989 3.611 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.475 -0.630 2.245 1.00 0.00 C ATOM 0 H VAL A 17 -9.532 -2.548 4.012 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.230 -0.568 5.756 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.691 0.716 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.836 -0.619 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.880 -0.722 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.489 -2.073 3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.821 -0.287 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.655 -1.699 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.423 -0.095 2.194 1.00 0.00 H new ATOM 285 N GLU A 18 -10.071 1.197 4.809 1.00 0.00 N ATOM 286 CA GLU A 18 -11.270 2.010 4.702 1.00 0.00 C ATOM 287 C GLU A 18 -10.886 3.345 4.051 1.00 0.00 C ATOM 288 O GLU A 18 -9.713 3.721 4.100 1.00 0.00 O ATOM 289 CB GLU A 18 -11.885 2.303 6.075 1.00 0.00 C ATOM 290 CG GLU A 18 -12.517 1.112 6.817 1.00 0.00 C ATOM 291 CD GLU A 18 -13.761 0.488 6.165 1.00 0.00 C ATOM 292 OE1 GLU A 18 -14.591 -0.099 6.898 1.00 0.00 O ATOM 293 OE2 GLU A 18 -13.929 0.509 4.925 1.00 0.00 O ATOM 0 H GLU A 18 -9.229 1.750 4.968 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.004 1.464 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.109 2.728 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.649 3.070 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.760 0.335 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.784 1.438 7.822 1.00 0.00 H new ATOM 300 N PRO A 19 -11.846 4.099 3.493 1.00 0.00 N ATOM 301 CA PRO A 19 -11.592 5.392 2.858 1.00 0.00 C ATOM 302 C PRO A 19 -10.867 6.399 3.770 1.00 0.00 C ATOM 303 O PRO A 19 -9.981 7.128 3.309 1.00 0.00 O ATOM 304 CB PRO A 19 -12.968 5.918 2.437 1.00 0.00 C ATOM 305 CG PRO A 19 -13.814 4.652 2.332 1.00 0.00 C ATOM 306 CD PRO A 19 -13.249 3.724 3.381 1.00 0.00 C ATOM 0 HA PRO A 19 -10.916 5.265 2.013 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.374 6.613 3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.921 6.450 1.487 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.867 4.863 2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.747 4.212 1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.767 3.841 4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.357 2.680 3.085 1.00 0.00 H new ATOM 314 N SER A 20 -11.236 6.443 5.054 1.00 0.00 N ATOM 315 CA SER A 20 -10.672 7.333 6.061 1.00 0.00 C ATOM 316 C SER A 20 -9.313 6.857 6.581 1.00 0.00 C ATOM 317 O SER A 20 -8.675 7.613 7.313 1.00 0.00 O ATOM 318 CB SER A 20 -11.690 7.529 7.199 1.00 0.00 C ATOM 319 OG SER A 20 -11.347 8.624 8.028 1.00 0.00 O ATOM 0 H SER A 20 -11.964 5.835 5.430 1.00 0.00 H new ATOM 0 HA SER A 20 -10.477 8.297 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.682 7.690 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.743 6.621 7.800 1.00 0.00 H new ATOM 0 HG SER A 20 -10.373 8.729 8.045 1.00 0.00 H new ATOM 325 N ASP A 21 -8.859 5.637 6.278 1.00 0.00 N ATOM 326 CA ASP A 21 -7.558 5.182 6.768 1.00 0.00 C ATOM 327 C ASP A 21 -6.457 5.878 5.970 1.00 0.00 C ATOM 328 O ASP A 21 -6.468 5.871 4.734 1.00 0.00 O ATOM 329 CB ASP A 21 -7.412 3.647 6.702 1.00 0.00 C ATOM 330 CG ASP A 21 -7.598 2.949 8.051 1.00 0.00 C ATOM 331 OD1 ASP A 21 -7.156 1.784 8.183 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.225 3.527 8.972 1.00 0.00 O ATOM 0 H ASP A 21 -9.363 4.959 5.707 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.471 5.449 7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.142 3.252 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.425 3.402 6.310 1.00 0.00 H new ATOM 337 N THR A 22 -5.527 6.541 6.662 1.00 0.00 N ATOM 338 CA THR A 22 -4.415 7.203 5.991 1.00 0.00 C ATOM 339 C THR A 22 -3.488 6.114 5.454 1.00 0.00 C ATOM 340 O THR A 22 -3.489 5.001 5.995 1.00 0.00 O ATOM 341 CB THR A 22 -3.651 8.127 6.951 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.375 7.466 8.166 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.417 9.403 7.265 1.00 0.00 C ATOM 0 H THR A 22 -5.525 6.631 7.678 1.00 0.00 H new ATOM 0 HA THR A 22 -4.792 7.827 5.181 1.00 0.00 H new ATOM 0 HB THR A 22 -2.725 8.393 6.442 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.526 7.793 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.832 10.020 7.947 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.599 9.955 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.370 9.150 7.730 1.00 0.00 H new ATOM 351 N ILE A 23 -2.630 6.428 4.475 1.00 0.00 N ATOM 352 CA ILE A 23 -1.689 5.441 3.927 1.00 0.00 C ATOM 353 C ILE A 23 -0.791 4.898 5.054 1.00 0.00 C ATOM 354 O ILE A 23 -0.248 3.806 4.942 1.00 0.00 O ATOM 355 CB ILE A 23 -0.894 6.036 2.745 1.00 0.00 C ATOM 356 CG1 ILE A 23 -1.799 6.551 1.607 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.129 5.046 2.159 1.00 0.00 C ATOM 358 CD1 ILE A 23 -2.820 5.551 1.059 1.00 0.00 C ATOM 0 H ILE A 23 -2.567 7.352 4.048 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.240 4.594 3.519 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.361 6.884 3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.336 7.429 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.164 6.880 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.659 5.518 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.843 4.761 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.390 4.158 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.400 6.021 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.299 4.680 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.489 5.238 1.860 1.00 0.00 H new ATOM 370 N GLU A 24 -0.655 5.636 6.160 1.00 0.00 N ATOM 371 CA GLU A 24 0.118 5.264 7.335 1.00 0.00 C ATOM 372 C GLU A 24 -0.385 3.898 7.842 1.00 0.00 C ATOM 373 O GLU A 24 0.410 3.041 8.227 1.00 0.00 O ATOM 374 CB GLU A 24 -0.087 6.330 8.429 1.00 0.00 C ATOM 375 CG GLU A 24 0.115 7.784 7.965 1.00 0.00 C ATOM 376 CD GLU A 24 -0.326 8.786 9.031 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.513 8.749 9.435 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.523 9.591 9.475 1.00 0.00 O ATOM 0 H GLU A 24 -1.102 6.547 6.259 1.00 0.00 H new ATOM 0 HA GLU A 24 1.178 5.199 7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.096 6.229 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.603 6.126 9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.166 7.947 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.451 7.955 7.049 1.00 0.00 H new ATOM 385 N ASN A 25 -1.709 3.700 7.815 1.00 0.00 N ATOM 386 CA ASN A 25 -2.395 2.481 8.245 1.00 0.00 C ATOM 387 C ASN A 25 -2.113 1.368 7.275 1.00 0.00 C ATOM 388 O ASN A 25 -1.757 0.265 7.652 1.00 0.00 O ATOM 389 CB ASN A 25 -3.926 2.616 8.252 1.00 0.00 C ATOM 390 CG ASN A 25 -4.297 3.536 9.363 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.512 3.121 10.495 1.00 0.00 O ATOM 392 ND2 ASN A 25 -4.180 4.809 9.078 1.00 0.00 N ATOM 0 H ASN A 25 -2.355 4.415 7.479 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.029 2.286 9.253 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.279 3.007 7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.395 1.642 8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.268 5.507 9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.001 5.102 8.118 1.00 0.00 H new ATOM 399 N VAL A 26 -2.331 1.653 6.000 1.00 0.00 N ATOM 400 CA VAL A 26 -2.149 0.724 4.906 1.00 0.00 C ATOM 401 C VAL A 26 -0.707 0.192 4.920 1.00 0.00 C ATOM 402 O VAL A 26 -0.481 -1.002 4.725 1.00 0.00 O ATOM 403 CB VAL A 26 -2.615 1.415 3.612 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.826 0.347 2.534 1.00 0.00 C ATOM 405 CG2 VAL A 26 -3.937 2.201 3.807 1.00 0.00 C ATOM 0 H VAL A 26 -2.651 2.572 5.693 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.762 -0.173 4.997 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.846 2.130 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.157 0.822 1.611 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.889 -0.180 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.583 -0.363 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.224 2.670 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.723 1.517 4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.795 2.969 4.567 1.00 0.00 H new ATOM 415 N LYS A 27 0.265 1.059 5.206 1.00 0.00 N ATOM 416 CA LYS A 27 1.679 0.732 5.301 1.00 0.00 C ATOM 417 C LYS A 27 1.896 -0.164 6.530 1.00 0.00 C ATOM 418 O LYS A 27 2.639 -1.143 6.458 1.00 0.00 O ATOM 419 CB LYS A 27 2.451 2.051 5.369 1.00 0.00 C ATOM 420 CG LYS A 27 3.967 1.837 5.377 1.00 0.00 C ATOM 421 CD LYS A 27 4.756 3.136 5.179 1.00 0.00 C ATOM 422 CE LYS A 27 4.266 4.168 6.196 1.00 0.00 C ATOM 423 NZ LYS A 27 5.240 5.231 6.465 1.00 0.00 N ATOM 0 H LYS A 27 0.076 2.045 5.384 1.00 0.00 H new ATOM 0 HA LYS A 27 2.041 0.174 4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.179 2.673 4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.158 2.595 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.259 1.382 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.233 1.133 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.823 2.954 5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.619 3.511 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.342 4.616 5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.026 3.660 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.930 5.786 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.170 4.808 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.312 5.854 5.635 1.00 0.00 H new ATOM 437 N ALA A 28 1.252 0.154 7.657 1.00 0.00 N ATOM 438 CA ALA A 28 1.344 -0.624 8.886 1.00 0.00 C ATOM 439 C ALA A 28 0.767 -2.033 8.644 1.00 0.00 C ATOM 440 O ALA A 28 1.369 -3.040 9.020 1.00 0.00 O ATOM 441 CB ALA A 28 0.594 0.118 10.008 1.00 0.00 C ATOM 0 H ALA A 28 0.646 0.970 7.738 1.00 0.00 H new ATOM 0 HA ALA A 28 2.384 -0.738 9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.658 -0.458 10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.045 1.099 10.160 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.452 0.239 9.728 1.00 0.00 H new ATOM 447 N LYS A 29 -0.378 -2.110 7.960 1.00 0.00 N ATOM 448 CA LYS A 29 -1.110 -3.326 7.618 1.00 0.00 C ATOM 449 C LYS A 29 -0.308 -4.261 6.720 1.00 0.00 C ATOM 450 O LYS A 29 -0.543 -5.469 6.814 1.00 0.00 O ATOM 451 CB LYS A 29 -2.450 -2.947 6.967 1.00 0.00 C ATOM 452 CG LYS A 29 -3.452 -2.411 8.004 1.00 0.00 C ATOM 453 CD LYS A 29 -4.535 -1.551 7.345 1.00 0.00 C ATOM 454 CE LYS A 29 -5.579 -1.027 8.342 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.563 -2.044 8.772 1.00 0.00 N ATOM 0 H LYS A 29 -0.844 -1.273 7.611 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.294 -3.878 8.540 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.281 -2.192 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.873 -3.819 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.917 -3.246 8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.923 -1.821 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.064 -0.705 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.038 -2.137 6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.064 -0.640 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.111 -0.190 7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.362 -1.576 9.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.910 -2.565 7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.110 -2.708 9.432 1.00 0.00 H new ATOM 469 N ILE A 30 0.572 -3.759 5.841 1.00 0.00 N ATOM 470 CA ILE A 30 1.375 -4.644 4.998 1.00 0.00 C ATOM 471 C ILE A 30 2.561 -5.142 5.824 1.00 0.00 C ATOM 472 O ILE A 30 2.891 -6.321 5.741 1.00 0.00 O ATOM 473 CB ILE A 30 1.777 -4.015 3.643 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.612 -4.971 2.766 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.540 -2.691 3.772 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.969 -6.343 2.531 1.00 0.00 C ATOM 0 H ILE A 30 0.741 -2.763 5.700 1.00 0.00 H new ATOM 0 HA ILE A 30 0.769 -5.499 4.698 1.00 0.00 H new ATOM 0 HB ILE A 30 0.820 -3.815 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.789 -4.497 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.586 -5.116 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.786 -2.314 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.919 -1.962 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.459 -2.854 4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.624 -6.949 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.817 -6.842 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.008 -6.214 2.033 1.00 0.00 H new ATOM 488 N GLN A 31 3.182 -4.287 6.648 1.00 0.00 N ATOM 489 CA GLN A 31 4.311 -4.679 7.491 1.00 0.00 C ATOM 490 C GLN A 31 3.898 -5.868 8.354 1.00 0.00 C ATOM 491 O GLN A 31 4.627 -6.856 8.448 1.00 0.00 O ATOM 492 CB GLN A 31 4.769 -3.481 8.331 1.00 0.00 C ATOM 493 CG GLN A 31 5.677 -2.600 7.486 1.00 0.00 C ATOM 494 CD GLN A 31 6.050 -1.335 8.246 1.00 0.00 C ATOM 495 OE1 GLN A 31 6.747 -1.351 9.261 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.505 -0.222 7.799 1.00 0.00 N ATOM 0 H GLN A 31 2.914 -3.308 6.746 1.00 0.00 H new ATOM 0 HA GLN A 31 5.159 -4.987 6.879 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.906 -2.911 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.299 -3.825 9.219 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.579 -3.149 7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.175 -2.337 6.555 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.932 -0.238 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.656 0.655 8.297 1.00 0.00 H new ATOM 505 N ASP A 32 2.678 -5.822 8.884 1.00 0.00 N ATOM 506 CA ASP A 32 2.028 -6.832 9.720 1.00 0.00 C ATOM 507 C ASP A 32 1.860 -8.194 9.014 1.00 0.00 C ATOM 508 O ASP A 32 1.448 -9.174 9.635 1.00 0.00 O ATOM 509 CB ASP A 32 0.660 -6.239 10.089 1.00 0.00 C ATOM 510 CG ASP A 32 -0.295 -7.198 10.781 1.00 0.00 C ATOM 511 OD1 ASP A 32 -1.361 -7.490 10.186 1.00 0.00 O ATOM 512 OD2 ASP A 32 -0.061 -7.525 11.966 1.00 0.00 O ATOM 0 H ASP A 32 2.071 -5.017 8.729 1.00 0.00 H new ATOM 0 HA ASP A 32 2.643 -7.047 10.594 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.818 -5.378 10.738 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.184 -5.870 9.180 1.00 0.00 H new ATOM 517 N LYS A 33 2.181 -8.282 7.719 1.00 0.00 N ATOM 518 CA LYS A 33 2.072 -9.472 6.876 1.00 0.00 C ATOM 519 C LYS A 33 3.311 -9.664 5.998 1.00 0.00 C ATOM 520 O LYS A 33 3.294 -10.556 5.148 1.00 0.00 O ATOM 521 CB LYS A 33 0.829 -9.313 5.980 1.00 0.00 C ATOM 522 CG LYS A 33 -0.463 -9.132 6.788 1.00 0.00 C ATOM 523 CD LYS A 33 -1.626 -8.703 5.906 1.00 0.00 C ATOM 524 CE LYS A 33 -2.867 -8.352 6.735 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.645 -7.250 7.702 1.00 0.00 N ATOM 0 H LYS A 33 2.544 -7.479 7.205 1.00 0.00 H new ATOM 0 HA LYS A 33 1.987 -10.349 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.966 -8.453 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.733 -10.190 5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.712 -10.067 7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.303 -8.386 7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.331 -7.840 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.869 -9.505 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.677 -8.074 6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.194 -9.239 7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.548 -6.773 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.258 -7.637 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.973 -6.566 7.300 1.00 0.00 H new ATOM 539 N GLU A 34 4.367 -8.866 6.185 1.00 0.00 N ATOM 540 CA GLU A 34 5.591 -8.933 5.389 1.00 0.00 C ATOM 541 C GLU A 34 6.868 -8.934 6.241 1.00 0.00 C ATOM 542 O GLU A 34 7.861 -9.524 5.819 1.00 0.00 O ATOM 543 CB GLU A 34 5.545 -7.773 4.375 1.00 0.00 C ATOM 544 CG GLU A 34 6.692 -7.741 3.352 1.00 0.00 C ATOM 545 CD GLU A 34 6.914 -9.018 2.542 1.00 0.00 C ATOM 546 OE1 GLU A 34 8.053 -9.203 2.051 1.00 0.00 O ATOM 547 OE2 GLU A 34 6.015 -9.875 2.413 1.00 0.00 O ATOM 0 H GLU A 34 4.393 -8.145 6.906 1.00 0.00 H new ATOM 0 HA GLU A 34 5.633 -9.886 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.600 -7.824 3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.546 -6.832 4.926 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.507 -6.923 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.616 -7.507 3.881 1.00 0.00 H new ATOM 554 N GLY A 35 6.865 -8.323 7.432 1.00 0.00 N ATOM 555 CA GLY A 35 8.024 -8.292 8.324 1.00 0.00 C ATOM 556 C GLY A 35 9.195 -7.504 7.750 1.00 0.00 C ATOM 557 O GLY A 35 10.283 -8.050 7.591 1.00 0.00 O ATOM 0 H GLY A 35 6.051 -7.834 7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.730 -7.853 9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.346 -9.313 8.529 1.00 0.00 H new ATOM 561 N ILE A 36 8.963 -6.241 7.396 1.00 0.00 N ATOM 562 CA ILE A 36 9.948 -5.311 6.836 1.00 0.00 C ATOM 563 C ILE A 36 9.697 -3.916 7.450 1.00 0.00 C ATOM 564 O ILE A 36 8.688 -3.753 8.148 1.00 0.00 O ATOM 565 CB ILE A 36 9.902 -5.354 5.280 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.515 -5.095 4.653 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.412 -6.711 4.769 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.091 -3.633 4.657 1.00 0.00 C ATOM 0 H ILE A 36 8.041 -5.816 7.496 1.00 0.00 H new ATOM 0 HA ILE A 36 10.968 -5.596 7.095 1.00 0.00 H new ATOM 0 HB ILE A 36 10.545 -4.531 4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.520 -5.457 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.770 -5.679 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.374 -6.727 3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.440 -6.861 5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.784 -7.509 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.106 -3.538 4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.050 -3.269 5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.812 -3.043 4.091 1.00 0.00 H new ATOM 580 N PRO A 37 10.548 -2.898 7.222 1.00 0.00 N ATOM 581 CA PRO A 37 10.359 -1.558 7.772 1.00 0.00 C ATOM 582 C PRO A 37 9.464 -0.636 6.908 1.00 0.00 C ATOM 583 O PRO A 37 9.175 -0.940 5.750 1.00 0.00 O ATOM 584 CB PRO A 37 11.777 -0.954 7.824 1.00 0.00 C ATOM 585 CG PRO A 37 12.715 -1.994 7.209 1.00 0.00 C ATOM 586 CD PRO A 37 11.780 -2.927 6.455 1.00 0.00 C ATOM 0 HA PRO A 37 9.855 -1.633 8.736 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.820 -0.017 7.269 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.066 -0.730 8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.442 -1.532 6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.279 -2.526 7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.619 -2.587 5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.188 -3.936 6.396 1.00 0.00 H new ATOM 594 N PRO A 38 9.088 0.558 7.409 1.00 0.00 N ATOM 595 CA PRO A 38 8.303 1.559 6.676 1.00 0.00 C ATOM 596 C PRO A 38 9.085 2.176 5.491 1.00 0.00 C ATOM 597 O PRO A 38 8.609 3.115 4.850 1.00 0.00 O ATOM 598 CB PRO A 38 7.997 2.671 7.691 1.00 0.00 C ATOM 599 CG PRO A 38 8.225 2.022 9.048 1.00 0.00 C ATOM 600 CD PRO A 38 9.329 1.013 8.765 1.00 0.00 C ATOM 0 HA PRO A 38 7.411 1.092 6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.652 3.531 7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.973 3.030 7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.528 2.752 9.798 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.322 1.538 9.421 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.314 1.470 8.858 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.295 0.183 9.471 1.00 0.00 H new ATOM 608 N ASP A 39 10.336 1.761 5.281 1.00 0.00 N ATOM 609 CA ASP A 39 11.297 2.166 4.256 1.00 0.00 C ATOM 610 C ASP A 39 11.602 0.953 3.377 1.00 0.00 C ATOM 611 O ASP A 39 11.328 -0.171 3.795 1.00 0.00 O ATOM 612 CB ASP A 39 12.578 2.626 4.960 1.00 0.00 C ATOM 613 CG ASP A 39 13.716 2.905 3.980 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.744 2.194 4.031 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.577 3.861 3.183 1.00 0.00 O ATOM 0 H ASP A 39 10.744 1.055 5.894 1.00 0.00 H new ATOM 0 HA ASP A 39 10.900 2.974 3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.369 3.528 5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.893 1.861 5.670 1.00 0.00 H new ATOM 620 N GLN A 40 12.163 1.147 2.175 1.00 0.00 N ATOM 621 CA GLN A 40 12.505 0.057 1.258 1.00 0.00 C ATOM 622 C GLN A 40 11.268 -0.744 0.815 1.00 0.00 C ATOM 623 O GLN A 40 11.408 -1.819 0.233 1.00 0.00 O ATOM 624 CB GLN A 40 13.598 -0.806 1.909 1.00 0.00 C ATOM 625 CG GLN A 40 14.430 -1.629 0.925 1.00 0.00 C ATOM 626 CD GLN A 40 15.406 -2.513 1.682 1.00 0.00 C ATOM 627 OE1 GLN A 40 15.038 -3.216 2.623 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.664 -2.487 1.291 1.00 0.00 N ATOM 0 H GLN A 40 12.393 2.072 1.812 1.00 0.00 H new ATOM 0 HA GLN A 40 12.903 0.469 0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.266 -0.157 2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.130 -1.483 2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.775 -2.243 0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.974 -0.966 0.252 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.943 -1.896 0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.359 -3.058 1.771 1.00 0.00 H new ATOM 637 N ASN A 41 10.059 -0.213 1.021 1.00 0.00 N ATOM 638 CA ASN A 41 8.799 -0.855 0.676 1.00 0.00 C ATOM 639 C ASN A 41 7.708 0.199 0.613 1.00 0.00 C ATOM 640 O ASN A 41 7.453 0.884 1.607 1.00 0.00 O ATOM 641 CB ASN A 41 8.470 -1.824 1.802 1.00 0.00 C ATOM 642 CG ASN A 41 7.172 -2.587 1.613 1.00 0.00 C ATOM 643 OD1 ASN A 41 6.093 -2.076 1.902 1.00 0.00 O ATOM 644 ND2 ASN A 41 7.259 -3.842 1.216 1.00 0.00 N ATOM 0 H ASN A 41 9.933 0.705 1.447 1.00 0.00 H new ATOM 0 HA ASN A 41 8.870 -1.366 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.287 -2.539 1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.418 -1.269 2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.417 -4.413 1.143 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.168 -4.241 0.982 1.00 0.00 H new ATOM 651 N ARG A 42 7.045 0.319 -0.528 1.00 0.00 N ATOM 652 CA ARG A 42 5.984 1.274 -0.784 1.00 0.00 C ATOM 653 C ARG A 42 4.947 0.656 -1.723 1.00 0.00 C ATOM 654 O ARG A 42 5.286 -0.243 -2.490 1.00 0.00 O ATOM 655 CB ARG A 42 6.711 2.510 -1.320 1.00 0.00 C ATOM 656 CG ARG A 42 6.118 3.226 -2.530 1.00 0.00 C ATOM 657 CD ARG A 42 7.175 4.216 -3.008 1.00 0.00 C ATOM 658 NE ARG A 42 7.556 5.181 -1.952 1.00 0.00 N ATOM 659 CZ ARG A 42 7.075 6.404 -1.717 1.00 0.00 C ATOM 660 NH1 ARG A 42 6.319 7.030 -2.607 1.00 0.00 N ATOM 661 NH2 ARG A 42 7.387 6.965 -0.556 1.00 0.00 N ATOM 0 H ARG A 42 7.243 -0.274 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 42 5.398 1.557 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.783 3.233 -0.507 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.729 2.214 -1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.868 2.515 -3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.196 3.742 -2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.060 3.670 -3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.797 4.759 -3.874 1.00 0.00 H new ATOM 0 HE ARG A 42 8.288 4.868 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.094 6.578 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.962 7.964 -2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.971 6.463 0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.043 7.899 -0.332 1.00 0.00 H new ATOM 675 N LEU A 43 3.701 1.139 -1.666 1.00 0.00 N ATOM 676 CA LEU A 43 2.578 0.655 -2.474 1.00 0.00 C ATOM 677 C LEU A 43 2.302 1.565 -3.676 1.00 0.00 C ATOM 678 O LEU A 43 2.505 2.778 -3.606 1.00 0.00 O ATOM 679 CB LEU A 43 1.308 0.572 -1.598 1.00 0.00 C ATOM 680 CG LEU A 43 1.088 -0.709 -0.766 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.042 -1.967 -1.630 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.099 -0.925 0.360 1.00 0.00 C ATOM 0 H LEU A 43 3.439 1.899 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 43 2.845 -0.332 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.319 1.419 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.443 0.701 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 43 0.116 -0.539 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.885 -2.839 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.224 -1.887 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.984 -2.074 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.864 -1.849 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.103 -0.993 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.053 -0.087 1.056 1.00 0.00 H new ATOM 694 N ILE A 44 1.724 0.988 -4.739 1.00 0.00 N ATOM 695 CA ILE A 44 1.376 1.637 -6.005 1.00 0.00 C ATOM 696 C ILE A 44 0.004 1.117 -6.471 1.00 0.00 C ATOM 697 O ILE A 44 -0.112 -0.092 -6.669 1.00 0.00 O ATOM 698 CB ILE A 44 2.457 1.279 -7.063 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.917 1.556 -6.643 1.00 0.00 C ATOM 700 CG2 ILE A 44 2.175 1.912 -8.434 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.321 3.021 -6.457 1.00 0.00 C ATOM 0 H ILE A 44 1.474 -0.001 -4.735 1.00 0.00 H new ATOM 0 HA ILE A 44 1.331 2.719 -5.878 1.00 0.00 H new ATOM 0 HB ILE A 44 2.369 0.195 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.105 1.031 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.574 1.116 -7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.961 1.629 -9.134 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.213 1.560 -8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.150 2.997 -8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.369 3.075 -6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.179 3.559 -7.394 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.703 3.473 -5.682 1.00 0.00 H new ATOM 713 N PHE A 45 -1.030 1.951 -6.645 1.00 0.00 N ATOM 714 CA PHE A 45 -2.382 1.555 -7.106 1.00 0.00 C ATOM 715 C PHE A 45 -2.558 2.056 -8.537 1.00 0.00 C ATOM 716 O PHE A 45 -2.550 3.266 -8.760 1.00 0.00 O ATOM 717 CB PHE A 45 -3.486 2.195 -6.246 1.00 0.00 C ATOM 718 CG PHE A 45 -4.873 2.139 -6.877 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.595 3.328 -7.094 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.421 0.913 -7.300 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.875 3.287 -7.676 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.674 0.880 -7.939 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.410 2.064 -8.112 1.00 0.00 C ATOM 0 H PHE A 45 -0.954 2.952 -6.465 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.467 0.471 -7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.517 1.692 -5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.226 3.236 -6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.164 4.277 -6.812 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.878 -0.005 -7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.447 4.197 -7.788 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.071 -0.058 -8.298 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.384 2.034 -8.579 1.00 0.00 H new ATOM 733 N ALA A 46 -2.784 1.154 -9.496 1.00 0.00 N ATOM 734 CA ALA A 46 -2.980 1.480 -10.910 1.00 0.00 C ATOM 735 C ALA A 46 -1.906 2.466 -11.392 1.00 0.00 C ATOM 736 O ALA A 46 -2.202 3.497 -12.011 1.00 0.00 O ATOM 737 CB ALA A 46 -4.409 1.999 -11.126 1.00 0.00 C ATOM 0 H ALA A 46 -2.837 0.153 -9.306 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.865 0.582 -11.516 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.553 2.241 -12.179 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.124 1.231 -10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.566 2.894 -10.523 1.00 0.00 H new ATOM 743 N GLY A 47 -0.656 2.177 -11.033 1.00 0.00 N ATOM 744 CA GLY A 47 0.516 2.964 -11.363 1.00 0.00 C ATOM 745 C GLY A 47 0.712 4.194 -10.477 1.00 0.00 C ATOM 746 O GLY A 47 1.835 4.691 -10.425 1.00 0.00 O ATOM 0 H GLY A 47 -0.430 1.350 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.399 2.330 -11.287 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.444 3.286 -12.402 1.00 0.00 H new ATOM 750 N LYS A 48 -0.311 4.706 -9.782 1.00 0.00 N ATOM 751 CA LYS A 48 -0.202 5.878 -8.928 1.00 0.00 C ATOM 752 C LYS A 48 0.670 5.544 -7.733 1.00 0.00 C ATOM 753 O LYS A 48 0.489 4.506 -7.100 1.00 0.00 O ATOM 754 CB LYS A 48 -1.592 6.351 -8.479 1.00 0.00 C ATOM 755 CG LYS A 48 -1.501 7.608 -7.592 1.00 0.00 C ATOM 756 CD LYS A 48 -2.591 8.628 -7.905 1.00 0.00 C ATOM 757 CE LYS A 48 -2.309 9.317 -9.244 1.00 0.00 C ATOM 758 NZ LYS A 48 -3.421 10.202 -9.631 1.00 0.00 N ATOM 0 H LYS A 48 -1.249 4.306 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 48 0.258 6.693 -9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.205 6.566 -9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.090 5.552 -7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.573 7.315 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.524 8.073 -7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.562 8.133 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.641 9.372 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.388 9.896 -9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.153 8.565 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.203 10.655 -10.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.294 9.643 -9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.553 10.933 -8.903 1.00 0.00 H new ATOM 772 N GLN A 49 1.610 6.432 -7.451 1.00 0.00 N ATOM 773 CA GLN A 49 2.543 6.305 -6.347 1.00 0.00 C ATOM 774 C GLN A 49 1.789 6.721 -5.087 1.00 0.00 C ATOM 775 O GLN A 49 1.120 7.757 -5.110 1.00 0.00 O ATOM 776 CB GLN A 49 3.765 7.210 -6.571 1.00 0.00 C ATOM 777 CG GLN A 49 4.606 6.885 -7.820 1.00 0.00 C ATOM 778 CD GLN A 49 4.132 7.605 -9.085 1.00 0.00 C ATOM 779 OE1 GLN A 49 4.547 8.725 -9.377 1.00 0.00 O ATOM 780 NE2 GLN A 49 3.279 7.004 -9.895 1.00 0.00 N ATOM 0 H GLN A 49 1.747 7.282 -7.998 1.00 0.00 H new ATOM 0 HA GLN A 49 2.911 5.283 -6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.423 8.243 -6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.409 7.147 -5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.645 7.153 -7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.581 5.809 -7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.926 6.075 -9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.973 7.469 -10.750 1.00 0.00 H new ATOM 789 N LEU A 50 1.872 5.921 -4.017 1.00 0.00 N ATOM 790 CA LEU A 50 1.192 6.191 -2.754 1.00 0.00 C ATOM 791 C LEU A 50 2.223 6.243 -1.636 1.00 0.00 C ATOM 792 O LEU A 50 3.184 5.465 -1.648 1.00 0.00 O ATOM 793 CB LEU A 50 0.177 5.077 -2.431 1.00 0.00 C ATOM 794 CG LEU A 50 -0.761 4.668 -3.579 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.604 3.476 -3.146 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.701 5.790 -4.014 1.00 0.00 C ATOM 0 H LEU A 50 2.420 5.061 -4.008 1.00 0.00 H new ATOM 0 HA LEU A 50 0.665 7.141 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.727 4.194 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.433 5.401 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.124 4.420 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.269 3.186 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.951 2.640 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.197 3.748 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.336 5.438 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.323 6.091 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.115 6.644 -4.355 1.00 0.00 H new ATOM 808 N GLU A 51 2.029 7.126 -0.662 1.00 0.00 N ATOM 809 CA GLU A 51 2.909 7.284 0.482 1.00 0.00 C ATOM 810 C GLU A 51 2.138 7.926 1.628 1.00 0.00 C ATOM 811 O GLU A 51 1.010 8.395 1.458 1.00 0.00 O ATOM 812 CB GLU A 51 4.141 8.115 0.096 1.00 0.00 C ATOM 813 CG GLU A 51 3.835 9.595 -0.210 1.00 0.00 C ATOM 814 CD GLU A 51 4.656 10.165 -1.379 1.00 0.00 C ATOM 815 OE1 GLU A 51 4.987 11.371 -1.353 1.00 0.00 O ATOM 816 OE2 GLU A 51 4.929 9.465 -2.386 1.00 0.00 O ATOM 0 H GLU A 51 1.235 7.766 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 51 3.264 6.307 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.867 8.066 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.610 7.664 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.774 9.698 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.029 10.189 0.683 1.00 0.00 H new ATOM 823 N ASP A 52 2.738 7.899 2.812 1.00 0.00 N ATOM 824 CA ASP A 52 2.151 8.485 4.000 1.00 0.00 C ATOM 825 C ASP A 52 2.101 9.999 3.845 1.00 0.00 C ATOM 826 O ASP A 52 3.063 10.620 3.381 1.00 0.00 O ATOM 827 CB ASP A 52 2.896 8.053 5.269 1.00 0.00 C ATOM 828 CG ASP A 52 4.413 8.159 5.152 1.00 0.00 C ATOM 829 OD1 ASP A 52 5.018 9.148 5.615 1.00 0.00 O ATOM 830 OD2 ASP A 52 5.035 7.221 4.609 1.00 0.00 O ATOM 0 H ASP A 52 3.648 7.467 2.971 1.00 0.00 H new ATOM 0 HA ASP A 52 1.131 8.119 4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.561 8.668 6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.629 7.023 5.504 1.00 0.00 H new ATOM 835 N GLY A 53 0.954 10.567 4.224 1.00 0.00 N ATOM 836 CA GLY A 53 0.631 11.986 4.174 1.00 0.00 C ATOM 837 C GLY A 53 -0.780 12.236 3.627 1.00 0.00 C ATOM 838 O GLY A 53 -1.305 13.334 3.807 1.00 0.00 O ATOM 0 H GLY A 53 0.183 10.012 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.713 12.412 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.359 12.502 3.548 1.00 0.00 H new ATOM 842 N ARG A 54 -1.418 11.241 2.995 1.00 0.00 N ATOM 843 CA ARG A 54 -2.762 11.308 2.415 1.00 0.00 C ATOM 844 C ARG A 54 -3.625 10.141 2.911 1.00 0.00 C ATOM 845 O ARG A 54 -3.147 9.276 3.656 1.00 0.00 O ATOM 846 CB ARG A 54 -2.641 11.181 0.892 1.00 0.00 C ATOM 847 CG ARG A 54 -1.712 12.151 0.161 1.00 0.00 C ATOM 848 CD ARG A 54 -2.336 13.542 0.020 1.00 0.00 C ATOM 849 NE ARG A 54 -1.626 14.329 -1.007 1.00 0.00 N ATOM 850 CZ ARG A 54 -2.090 14.668 -2.220 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.354 14.457 -2.569 1.00 0.00 N ATOM 852 NH2 ARG A 54 -1.266 15.217 -3.100 1.00 0.00 N ATOM 0 H ARG A 54 -0.988 10.325 2.870 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.222 12.252 2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.309 10.167 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.639 11.291 0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.770 12.229 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.479 11.755 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.388 13.449 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.296 14.063 0.977 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.686 14.648 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.001 14.027 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.678 14.725 -3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.290 15.378 -2.853 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.608 15.478 -4.025 1.00 0.00 H new ATOM 866 N THR A 55 -4.866 10.082 2.429 1.00 0.00 N ATOM 867 CA THR A 55 -5.851 9.057 2.744 1.00 0.00 C ATOM 868 C THR A 55 -6.190 8.236 1.511 1.00 0.00 C ATOM 869 O THR A 55 -5.888 8.611 0.372 1.00 0.00 O ATOM 870 CB THR A 55 -7.136 9.687 3.304 1.00 0.00 C ATOM 871 OG1 THR A 55 -7.664 10.625 2.388 1.00 0.00 O ATOM 872 CG2 THR A 55 -6.915 10.331 4.663 1.00 0.00 C ATOM 0 H THR A 55 -5.225 10.781 1.779 1.00 0.00 H new ATOM 0 HA THR A 55 -5.415 8.404 3.500 1.00 0.00 H new ATOM 0 HB THR A 55 -7.858 8.883 3.445 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.069 11.402 2.336 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.851 10.762 5.018 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.571 9.577 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.164 11.116 4.576 1.00 0.00 H new ATOM 880 N LEU A 56 -6.858 7.109 1.747 1.00 0.00 N ATOM 881 CA LEU A 56 -7.294 6.216 0.690 1.00 0.00 C ATOM 882 C LEU A 56 -8.321 6.943 -0.192 1.00 0.00 C ATOM 883 O LEU A 56 -8.380 6.711 -1.403 1.00 0.00 O ATOM 884 CB LEU A 56 -7.891 4.966 1.349 1.00 0.00 C ATOM 885 CG LEU A 56 -7.615 3.684 0.552 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.107 2.579 1.478 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.876 3.185 -0.142 1.00 0.00 C ATOM 0 H LEU A 56 -7.110 6.793 2.683 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.464 5.916 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.481 4.859 2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.968 5.097 1.457 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.860 3.924 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.916 1.677 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.184 2.903 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.858 2.368 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.649 2.276 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.642 2.972 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.240 3.949 -0.828 1.00 0.00 H new ATOM 899 N SER A 57 -9.114 7.838 0.414 1.00 0.00 N ATOM 900 CA SER A 57 -10.124 8.624 -0.275 1.00 0.00 C ATOM 901 C SER A 57 -9.453 9.749 -1.075 1.00 0.00 C ATOM 902 O SER A 57 -9.887 10.010 -2.198 1.00 0.00 O ATOM 903 CB SER A 57 -11.147 9.148 0.737 1.00 0.00 C ATOM 904 OG SER A 57 -12.400 9.366 0.122 1.00 0.00 O ATOM 0 H SER A 57 -9.064 8.033 1.414 1.00 0.00 H new ATOM 0 HA SER A 57 -10.664 8.002 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.257 8.433 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.786 10.078 1.176 1.00 0.00 H new ATOM 0 HG SER A 57 -13.038 9.699 0.788 1.00 0.00 H new ATOM 910 N ASP A 58 -8.379 10.381 -0.571 1.00 0.00 N ATOM 911 CA ASP A 58 -7.667 11.454 -1.291 1.00 0.00 C ATOM 912 C ASP A 58 -7.156 10.879 -2.607 1.00 0.00 C ATOM 913 O ASP A 58 -7.291 11.498 -3.664 1.00 0.00 O ATOM 914 CB ASP A 58 -6.438 11.996 -0.542 1.00 0.00 C ATOM 915 CG ASP A 58 -6.724 12.946 0.613 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.122 12.732 1.690 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.487 13.926 0.450 1.00 0.00 O ATOM 0 H ASP A 58 -7.981 10.165 0.343 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.376 12.273 -1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.869 11.149 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.798 12.510 -1.259 1.00 0.00 H new ATOM 922 N TYR A 59 -6.557 9.685 -2.548 1.00 0.00 N ATOM 923 CA TYR A 59 -6.032 8.988 -3.716 1.00 0.00 C ATOM 924 C TYR A 59 -7.146 8.362 -4.562 1.00 0.00 C ATOM 925 O TYR A 59 -6.872 7.865 -5.660 1.00 0.00 O ATOM 926 CB TYR A 59 -5.043 7.912 -3.269 1.00 0.00 C ATOM 927 CG TYR A 59 -3.667 8.441 -2.923 1.00 0.00 C ATOM 928 CD1 TYR A 59 -2.853 8.997 -3.929 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.166 8.310 -1.618 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.532 9.385 -3.642 1.00 0.00 C ATOM 931 CE2 TYR A 59 -1.843 8.684 -1.333 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.016 9.218 -2.338 1.00 0.00 C ATOM 933 OH TYR A 59 0.271 9.536 -2.024 1.00 0.00 O ATOM 0 H TYR A 59 -6.424 9.174 -1.676 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.524 9.721 -4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.452 7.397 -2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.946 7.171 -4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.246 9.126 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.798 7.922 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.913 9.810 -4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.456 8.560 -0.332 1.00 0.00 H new ATOM 0 HH TYR A 59 0.373 9.562 -1.050 1.00 0.00 H new ATOM 943 N ASN A 60 -8.391 8.418 -4.082 1.00 0.00 N ATOM 944 CA ASN A 60 -9.601 7.893 -4.688 1.00 0.00 C ATOM 945 C ASN A 60 -9.367 6.471 -5.193 1.00 0.00 C ATOM 946 O ASN A 60 -9.220 6.211 -6.391 1.00 0.00 O ATOM 947 CB ASN A 60 -10.114 8.858 -5.753 1.00 0.00 C ATOM 948 CG ASN A 60 -11.390 8.332 -6.328 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.307 7.930 -5.622 1.00 0.00 O ATOM 950 ND2 ASN A 60 -11.406 8.214 -7.632 1.00 0.00 N ATOM 0 H ASN A 60 -8.586 8.869 -3.188 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.394 7.816 -3.944 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.278 9.844 -5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.370 8.977 -6.540 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.202 7.775 -8.095 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.623 8.562 -8.185 1.00 0.00 H new ATOM 957 N ILE A 61 -9.329 5.548 -4.240 1.00 0.00 N ATOM 958 CA ILE A 61 -9.084 4.130 -4.450 1.00 0.00 C ATOM 959 C ILE A 61 -10.327 3.331 -4.062 1.00 0.00 C ATOM 960 O ILE A 61 -10.705 3.269 -2.888 1.00 0.00 O ATOM 961 CB ILE A 61 -7.822 3.685 -3.663 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.619 4.612 -3.934 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.481 2.215 -3.967 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.327 4.212 -3.210 1.00 0.00 C ATOM 0 H ILE A 61 -9.475 5.779 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.887 3.937 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.050 3.766 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.427 4.632 -5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.886 5.627 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.593 1.924 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.318 1.580 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.289 2.099 -5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.536 4.919 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.496 4.221 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.030 3.211 -3.522 1.00 0.00 H new ATOM 976 N GLN A 62 -10.993 2.745 -5.055 1.00 0.00 N ATOM 977 CA GLN A 62 -12.171 1.916 -4.847 1.00 0.00 C ATOM 978 C GLN A 62 -11.749 0.594 -4.191 1.00 0.00 C ATOM 979 O GLN A 62 -10.554 0.279 -4.091 1.00 0.00 O ATOM 980 CB GLN A 62 -12.887 1.669 -6.180 1.00 0.00 C ATOM 981 CG GLN A 62 -13.720 2.884 -6.591 1.00 0.00 C ATOM 982 CD GLN A 62 -12.874 4.061 -7.051 1.00 0.00 C ATOM 983 OE1 GLN A 62 -12.191 3.993 -8.073 1.00 0.00 O ATOM 984 NE2 GLN A 62 -12.912 5.163 -6.327 1.00 0.00 N ATOM 0 H GLN A 62 -10.725 2.835 -6.035 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.869 2.428 -4.185 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.153 1.448 -6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.532 0.795 -6.093 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.399 2.597 -7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.337 3.196 -5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.484 5.199 -5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.369 5.979 -6.611 1.00 0.00 H new ATOM 993 N LYS A 63 -12.725 -0.160 -3.689 1.00 0.00 N ATOM 994 CA LYS A 63 -12.471 -1.435 -3.034 1.00 0.00 C ATOM 995 C LYS A 63 -12.075 -2.506 -4.050 1.00 0.00 C ATOM 996 O LYS A 63 -12.208 -2.315 -5.262 1.00 0.00 O ATOM 997 CB LYS A 63 -13.644 -1.800 -2.124 1.00 0.00 C ATOM 998 CG LYS A 63 -14.984 -1.993 -2.839 1.00 0.00 C ATOM 999 CD LYS A 63 -16.040 -2.369 -1.798 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.303 -2.886 -2.477 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.248 -3.432 -1.484 1.00 0.00 N ATOM 0 H LYS A 63 -13.711 0.098 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.606 -1.354 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.398 -2.719 -1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.759 -1.018 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.272 -1.078 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.901 -2.775 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.643 -3.132 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.280 -1.500 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.779 -2.078 -3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.042 -3.659 -3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.100 -3.778 -1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.798 -4.218 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.513 -2.686 -0.810 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.576 -3.630 -3.542 1.00 0.00 N ATOM 1016 CA GLU A 64 -11.084 -4.794 -4.279 1.00 0.00 C ATOM 1017 C GLU A 64 -10.066 -4.384 -5.359 1.00 0.00 C ATOM 1018 O GLU A 64 -9.996 -4.993 -6.432 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.213 -5.697 -4.808 1.00 0.00 C ATOM 1020 CG GLU A 64 -13.039 -6.395 -3.723 1.00 0.00 C ATOM 1021 CD GLU A 64 -14.198 -5.545 -3.204 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.100 -5.082 -2.050 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -15.230 -5.384 -3.909 1.00 0.00 O ATOM 0 H GLU A 64 -11.499 -3.762 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.546 -5.420 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.882 -5.096 -5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.778 -6.456 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.433 -7.330 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.386 -6.654 -2.890 1.00 0.00 H new ATOM 1030 N SER A 65 -9.311 -3.309 -5.115 1.00 0.00 N ATOM 1031 CA SER A 65 -8.288 -2.809 -6.021 1.00 0.00 C ATOM 1032 C SER A 65 -7.065 -3.733 -5.934 1.00 0.00 C ATOM 1033 O SER A 65 -7.091 -4.785 -5.282 1.00 0.00 O ATOM 1034 CB SER A 65 -7.984 -1.329 -5.725 1.00 0.00 C ATOM 1035 OG SER A 65 -8.191 -0.999 -4.370 1.00 0.00 O ATOM 0 H SER A 65 -9.400 -2.755 -4.263 1.00 0.00 H new ATOM 0 HA SER A 65 -8.633 -2.828 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.951 -1.112 -5.995 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.616 -0.699 -6.350 1.00 0.00 H new ATOM 0 HG SER A 65 -9.110 -0.681 -4.247 1.00 0.00 H new ATOM 1041 N THR A 66 -5.987 -3.425 -6.651 1.00 0.00 N ATOM 1042 CA THR A 66 -4.790 -4.240 -6.631 1.00 0.00 C ATOM 1043 C THR A 66 -3.654 -3.252 -6.701 1.00 0.00 C ATOM 1044 O THR A 66 -3.739 -2.253 -7.422 1.00 0.00 O ATOM 1045 CB THR A 66 -4.809 -5.262 -7.773 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.967 -6.065 -7.620 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.582 -6.176 -7.757 1.00 0.00 C ATOM 0 H THR A 66 -5.925 -2.607 -7.257 1.00 0.00 H new ATOM 0 HA THR A 66 -4.695 -4.853 -5.735 1.00 0.00 H new ATOM 0 HB THR A 66 -4.806 -4.718 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.003 -6.728 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.643 -6.882 -8.585 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.679 -5.574 -7.859 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.549 -6.724 -6.815 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.624 -3.523 -5.913 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.465 -2.676 -5.830 1.00 0.00 C ATOM 1057 C LEU A 67 -0.194 -3.474 -6.044 1.00 0.00 C ATOM 1058 O LEU A 67 -0.194 -4.699 -5.899 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.441 -1.988 -4.461 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.626 -1.034 -4.217 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -3.796 -1.698 -3.481 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.144 0.141 -3.372 1.00 0.00 C ATOM 0 H LEU A 67 -2.578 -4.346 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.519 -1.922 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.436 -2.751 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.511 -1.428 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.986 -0.719 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.597 -0.972 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.166 -2.538 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.458 -2.057 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.974 0.824 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.764 -0.228 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.349 0.667 -3.900 1.00 0.00 H new ATOM 1074 N HIS A 68 0.903 -2.773 -6.319 1.00 0.00 N ATOM 1075 CA HIS A 68 2.234 -3.321 -6.541 1.00 0.00 C ATOM 1076 C HIS A 68 3.187 -2.769 -5.494 1.00 0.00 C ATOM 1077 O HIS A 68 3.214 -1.558 -5.260 1.00 0.00 O ATOM 1078 CB HIS A 68 2.742 -2.965 -7.947 1.00 0.00 C ATOM 1079 CG HIS A 68 2.462 -4.030 -8.976 1.00 0.00 C ATOM 1080 ND1 HIS A 68 3.080 -4.138 -10.203 1.00 0.00 N ATOM 1081 CD2 HIS A 68 1.573 -5.062 -8.857 1.00 0.00 C ATOM 1082 CE1 HIS A 68 2.583 -5.241 -10.800 1.00 0.00 C ATOM 1083 NE2 HIS A 68 1.657 -5.817 -10.022 1.00 0.00 N ATOM 0 H HIS A 68 0.884 -1.756 -6.396 1.00 0.00 H new ATOM 0 HA HIS A 68 2.185 -4.407 -6.459 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.278 -2.032 -8.266 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.817 -2.788 -7.902 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.926 -5.255 -8.014 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.889 -5.608 -11.769 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.115 -6.653 -10.243 1.00 0.00 H new ATOM 1090 N LEU A 69 3.921 -3.671 -4.843 1.00 0.00 N ATOM 1091 CA LEU A 69 4.911 -3.328 -3.841 1.00 0.00 C ATOM 1092 C LEU A 69 6.190 -3.040 -4.603 1.00 0.00 C ATOM 1093 O LEU A 69 6.529 -3.789 -5.522 1.00 0.00 O ATOM 1094 CB LEU A 69 5.162 -4.500 -2.875 1.00 0.00 C ATOM 1095 CG LEU A 69 4.281 -4.460 -1.617 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.504 -5.719 -0.774 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.598 -3.222 -0.774 1.00 0.00 C ATOM 0 H LEU A 69 3.838 -4.675 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 69 4.571 -2.480 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.986 -5.438 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.210 -4.494 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 69 3.239 -4.416 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.874 -5.678 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.247 -6.600 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.550 -5.776 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.963 -3.213 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.645 -3.247 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.412 -2.324 -1.363 1.00 0.00 H new ATOM 1109 N VAL A 70 6.887 -1.975 -4.240 1.00 0.00 N ATOM 1110 CA VAL A 70 8.141 -1.575 -4.853 1.00 0.00 C ATOM 1111 C VAL A 70 9.021 -0.989 -3.760 1.00 0.00 C ATOM 1112 O VAL A 70 8.545 -0.268 -2.878 1.00 0.00 O ATOM 1113 CB VAL A 70 7.935 -0.574 -6.010 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.371 -1.256 -7.267 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.026 0.601 -5.635 1.00 0.00 C ATOM 0 H VAL A 70 6.588 -1.350 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 70 8.621 -2.445 -5.302 1.00 0.00 H new ATOM 0 HB VAL A 70 8.930 -0.183 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.242 -0.515 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.063 -2.028 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.408 -1.709 -7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.922 1.268 -6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.045 0.224 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.464 1.148 -4.800 1.00 0.00 H new ATOM 1125 N LEU A 71 10.309 -1.317 -3.809 1.00 0.00 N ATOM 1126 CA LEU A 71 11.258 -0.813 -2.840 1.00 0.00 C ATOM 1127 C LEU A 71 11.659 0.595 -3.259 1.00 0.00 C ATOM 1128 O LEU A 71 11.723 0.901 -4.451 1.00 0.00 O ATOM 1129 CB LEU A 71 12.446 -1.783 -2.706 1.00 0.00 C ATOM 1130 CG LEU A 71 13.468 -1.795 -3.859 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.612 -0.813 -3.582 1.00 0.00 C ATOM 1132 CD2 LEU A 71 14.058 -3.200 -4.018 1.00 0.00 C ATOM 0 H LEU A 71 10.714 -1.932 -4.515 1.00 0.00 H new ATOM 0 HA LEU A 71 10.818 -0.751 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.977 -1.544 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.049 -2.792 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 71 12.951 -1.498 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.322 -0.838 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.210 0.195 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.119 -1.096 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.780 -3.201 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.556 -3.492 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.259 -3.907 -4.239 1.00 0.00 H new