USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 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 7 THR OG1 : rot 164:sc= 1.45 USER MOD Set 1.2: A 9 THR OG1 : rot -46:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0.272 (180deg=0.272) USER MOD Single : A 2 GLN : amide:sc= -4.48! C(o=-4.5!,f=-9.3!) USER MOD Single : A 6 LYS NZ :NH3+ -155:sc= -0.0489 (180deg=-0.337) USER MOD Single : A 11 LYS NZ :NH3+ -129:sc= -0.0806 (180deg=-0.703) USER MOD Single : A 12 THR OG1 : rot 150:sc= -0.288 USER MOD Single : A 14 THR OG1 : rot -80:sc= 1.46 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 0.615 (180deg=-0.846!) USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0.442) USER MOD Single : A 31 GLN : amide:sc= -0.0144 K(o=-0.014,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -4.18! C(o=-4.2!,f=-5.9!) USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= -0.0175 (180deg=-0.262) USER MOD Single : A 49 GLN : amide:sc= -3.11! K(o=-3.1!,f=-0.01) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.793 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.077) USER MOD Single : A 62 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= -0.239 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.75! C(o=-1.7!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 78.622 -17.097 7.030 1.00 0.00 N ATOM 2 CA MET A 1 77.931 -16.947 5.718 1.00 0.00 C ATOM 3 C MET A 1 77.726 -15.465 5.422 1.00 0.00 C ATOM 4 O MET A 1 78.120 -14.604 6.211 1.00 0.00 O ATOM 5 CB MET A 1 76.578 -17.661 5.772 1.00 0.00 C ATOM 6 CG MET A 1 76.782 -19.161 5.532 1.00 0.00 C ATOM 7 SD MET A 1 78.106 -19.771 6.604 1.00 0.00 S ATOM 8 CE MET A 1 77.097 -20.044 8.082 1.00 0.00 C ATOM 0 H1 MET A 1 78.763 -18.107 7.235 1.00 0.00 H new ATOM 0 H2 MET A 1 79.545 -16.619 6.993 1.00 0.00 H new ATOM 0 H3 MET A 1 78.041 -16.670 7.779 1.00 0.00 H new ATOM 0 HA MET A 1 78.538 -17.390 4.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 76.107 -17.498 6.741 1.00 0.00 H new ATOM 0 HB3 MET A 1 75.907 -17.249 5.018 1.00 0.00 H new ATOM 0 HG2 MET A 1 75.857 -19.701 5.735 1.00 0.00 H new ATOM 0 HG3 MET A 1 77.034 -19.342 4.487 1.00 0.00 H new ATOM 0 HE1 MET A 1 77.725 -20.428 8.886 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.645 -19.102 8.393 1.00 0.00 H new ATOM 0 HE3 MET A 1 76.312 -20.766 7.858 1.00 0.00 H new ATOM 20 N GLN A 2 77.109 -15.171 4.283 1.00 0.00 N ATOM 21 CA GLN A 2 76.858 -13.789 3.894 1.00 0.00 C ATOM 22 C GLN A 2 75.919 -13.728 2.695 1.00 0.00 C ATOM 23 O GLN A 2 75.821 -14.683 1.925 1.00 0.00 O ATOM 24 CB GLN A 2 78.176 -13.087 3.554 1.00 0.00 C ATOM 25 CG GLN A 2 79.127 -14.069 2.866 1.00 0.00 C ATOM 26 CD GLN A 2 78.423 -14.751 1.698 1.00 0.00 C ATOM 27 OE1 GLN A 2 78.019 -14.089 0.741 1.00 0.00 O ATOM 28 NE2 GLN A 2 78.246 -16.044 1.722 1.00 0.00 N ATOM 0 H GLN A 2 76.775 -15.867 3.616 1.00 0.00 H new ATOM 0 HA GLN A 2 76.386 -13.280 4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 2 77.986 -12.234 2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 2 78.636 -12.698 4.462 1.00 0.00 H new ATOM 0 HG2 GLN A 2 80.011 -13.541 2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 2 79.469 -14.817 3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 2 78.581 -16.590 2.516 1.00 0.00 H new ATOM 0 HE22 GLN A 2 77.772 -16.508 0.947 1.00 0.00 H new ATOM 37 N ILE A 3 75.243 -12.596 2.539 1.00 0.00 N ATOM 38 CA ILE A 3 74.307 -12.418 1.433 1.00 0.00 C ATOM 39 C ILE A 3 74.898 -11.438 0.425 1.00 0.00 C ATOM 40 O ILE A 3 75.946 -10.845 0.677 1.00 0.00 O ATOM 41 CB ILE A 3 72.982 -11.854 1.951 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.259 -10.671 2.879 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.225 -12.935 2.721 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.129 -9.652 2.743 1.00 0.00 C ATOM 0 H ILE A 3 75.324 -11.791 3.160 1.00 0.00 H new ATOM 0 HA ILE A 3 74.130 -13.384 0.960 1.00 0.00 H new ATOM 0 HB ILE A 3 72.378 -11.523 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.335 -11.013 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.213 -10.210 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.283 -12.528 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.024 -13.779 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.828 -13.270 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.321 -8.806 3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 3 72.076 -9.303 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.183 -10.119 3.018 1.00 0.00 H new ATOM 56 N PHE A 4 74.237 -11.290 -0.717 1.00 0.00 N ATOM 57 CA PHE A 4 74.725 -10.396 -1.761 1.00 0.00 C ATOM 58 C PHE A 4 73.757 -9.243 -2.008 1.00 0.00 C ATOM 59 O PHE A 4 72.548 -9.444 -2.073 1.00 0.00 O ATOM 60 CB PHE A 4 74.909 -11.188 -3.056 1.00 0.00 C ATOM 61 CG PHE A 4 75.945 -12.268 -2.840 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.548 -13.608 -2.762 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.297 -11.930 -2.713 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.502 -14.610 -2.555 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.253 -12.933 -2.506 1.00 0.00 C ATOM 66 CZ PHE A 4 77.855 -14.272 -2.427 1.00 0.00 C ATOM 0 H PHE A 4 73.368 -11.774 -0.943 1.00 0.00 H new ATOM 0 HA PHE A 4 75.676 -9.976 -1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 4 73.962 -11.633 -3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.223 -10.523 -3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.505 -13.868 -2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.603 -10.896 -2.775 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.195 -15.644 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.297 -12.673 -2.407 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.592 -15.045 -2.267 1.00 0.00 H new ATOM 76 N VAL A 5 74.304 -8.040 -2.161 1.00 0.00 N ATOM 77 CA VAL A 5 73.488 -6.858 -2.427 1.00 0.00 C ATOM 78 C VAL A 5 73.980 -6.177 -3.700 1.00 0.00 C ATOM 79 O VAL A 5 75.102 -5.679 -3.745 1.00 0.00 O ATOM 80 CB VAL A 5 73.563 -5.879 -1.253 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.788 -4.605 -1.599 1.00 0.00 C ATOM 82 CG2 VAL A 5 72.945 -6.528 -0.011 1.00 0.00 C ATOM 0 H VAL A 5 75.306 -7.858 -2.106 1.00 0.00 H new ATOM 0 HA VAL A 5 72.451 -7.167 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 5 74.605 -5.628 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.842 -3.908 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.224 -4.143 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.746 -4.855 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 5 72.997 -5.833 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 5 71.903 -6.778 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.494 -7.436 0.236 1.00 0.00 H new ATOM 92 N LYS A 6 73.149 -6.173 -4.736 1.00 0.00 N ATOM 93 CA LYS A 6 73.536 -5.563 -6.007 1.00 0.00 C ATOM 94 C LYS A 6 72.914 -4.181 -6.172 1.00 0.00 C ATOM 95 O LYS A 6 71.735 -3.980 -5.884 1.00 0.00 O ATOM 96 CB LYS A 6 73.104 -6.462 -7.164 1.00 0.00 C ATOM 97 CG LYS A 6 74.250 -7.412 -7.528 1.00 0.00 C ATOM 98 CD LYS A 6 73.679 -8.666 -8.186 1.00 0.00 C ATOM 99 CE LYS A 6 74.679 -9.208 -9.210 1.00 0.00 C ATOM 100 NZ LYS A 6 74.700 -8.317 -10.404 1.00 0.00 N ATOM 0 H LYS A 6 72.214 -6.579 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 6 74.620 -5.450 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.219 -7.033 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.832 -5.856 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 6 74.946 -6.917 -8.205 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.812 -7.681 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 6 73.471 -9.423 -7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 6 72.732 -8.434 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 6 75.674 -9.265 -8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 6 74.402 -10.221 -9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 75.016 -8.857 -11.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 73.744 -7.944 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 75.355 -7.527 -10.236 1.00 0.00 H new ATOM 114 N THR A 7 73.722 -3.236 -6.644 1.00 0.00 N ATOM 115 CA THR A 7 73.255 -1.871 -6.856 1.00 0.00 C ATOM 116 C THR A 7 73.101 -1.587 -8.347 1.00 0.00 C ATOM 117 O THR A 7 73.382 -2.444 -9.184 1.00 0.00 O ATOM 118 CB THR A 7 74.250 -0.880 -6.247 1.00 0.00 C ATOM 119 OG1 THR A 7 75.317 -0.664 -7.158 1.00 0.00 O ATOM 120 CG2 THR A 7 74.799 -1.446 -4.938 1.00 0.00 C ATOM 0 H THR A 7 74.701 -3.390 -6.886 1.00 0.00 H new ATOM 0 HA THR A 7 72.285 -1.757 -6.372 1.00 0.00 H new ATOM 0 HB THR A 7 73.746 0.066 -6.047 1.00 0.00 H new ATOM 0 HG1 THR A 7 75.812 0.140 -6.897 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.507 -0.740 -4.505 1.00 0.00 H new ATOM 0 HG22 THR A 7 73.978 -1.610 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.304 -2.392 -5.134 1.00 0.00 H new ATOM 128 N LEU A 8 72.653 -0.379 -8.673 1.00 0.00 N ATOM 129 CA LEU A 8 72.468 0.005 -10.067 1.00 0.00 C ATOM 130 C LEU A 8 73.817 0.180 -10.757 1.00 0.00 C ATOM 131 O LEU A 8 73.885 0.345 -11.975 1.00 0.00 O ATOM 132 CB LEU A 8 71.674 1.311 -10.148 1.00 0.00 C ATOM 133 CG LEU A 8 70.282 1.101 -9.550 1.00 0.00 C ATOM 134 CD1 LEU A 8 69.926 2.290 -8.656 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.256 0.987 -10.679 1.00 0.00 C ATOM 0 H LEU A 8 72.413 0.346 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 8 71.915 -0.786 -10.573 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.197 2.101 -9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.590 1.634 -11.186 1.00 0.00 H new ATOM 0 HG LEU A 8 70.275 0.186 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.934 2.141 -8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.658 2.373 -7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 8 69.932 3.205 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.263 0.837 -10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.263 1.902 -11.271 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.509 0.140 -11.317 1.00 0.00 H new ATOM 147 N THR A 9 74.886 0.144 -9.970 1.00 0.00 N ATOM 148 CA THR A 9 76.230 0.301 -10.517 1.00 0.00 C ATOM 149 C THR A 9 76.816 -1.057 -10.890 1.00 0.00 C ATOM 150 O THR A 9 77.850 -1.137 -11.555 1.00 0.00 O ATOM 151 CB THR A 9 77.134 0.986 -9.491 1.00 0.00 C ATOM 152 OG1 THR A 9 77.534 0.041 -8.508 1.00 0.00 O ATOM 153 CG2 THR A 9 76.374 2.132 -8.823 1.00 0.00 C ATOM 0 H THR A 9 74.851 0.009 -8.960 1.00 0.00 H new ATOM 0 HA THR A 9 76.169 0.917 -11.414 1.00 0.00 H new ATOM 0 HB THR A 9 78.017 1.383 -9.992 1.00 0.00 H new ATOM 0 HG1 THR A 9 76.754 -0.474 -8.213 1.00 0.00 H new ATOM 0 HG21 THR A 9 77.019 2.619 -8.092 1.00 0.00 H new ATOM 0 HG22 THR A 9 76.070 2.856 -9.579 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.490 1.739 -8.321 1.00 0.00 H new ATOM 161 N GLY A 10 76.151 -2.123 -10.458 1.00 0.00 N ATOM 162 CA GLY A 10 76.616 -3.473 -10.753 1.00 0.00 C ATOM 163 C GLY A 10 77.511 -3.998 -9.635 1.00 0.00 C ATOM 164 O GLY A 10 77.922 -5.159 -9.648 1.00 0.00 O ATOM 0 H GLY A 10 75.294 -2.079 -9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.761 -4.136 -10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.165 -3.475 -11.695 1.00 0.00 H new ATOM 168 N LYS A 11 77.810 -3.136 -8.669 1.00 0.00 N ATOM 169 CA LYS A 11 78.658 -3.524 -7.549 1.00 0.00 C ATOM 170 C LYS A 11 77.890 -4.410 -6.573 1.00 0.00 C ATOM 171 O LYS A 11 76.864 -4.004 -6.027 1.00 0.00 O ATOM 172 CB LYS A 11 79.164 -2.278 -6.818 1.00 0.00 C ATOM 173 CG LYS A 11 80.329 -2.659 -5.904 1.00 0.00 C ATOM 174 CD LYS A 11 80.820 -1.417 -5.155 1.00 0.00 C ATOM 175 CE LYS A 11 81.855 -1.828 -4.108 1.00 0.00 C ATOM 176 NZ LYS A 11 81.205 -2.679 -3.072 1.00 0.00 N ATOM 0 H LYS A 11 77.480 -2.171 -8.639 1.00 0.00 H new ATOM 0 HA LYS A 11 79.506 -4.085 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.485 -1.526 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.358 -1.835 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.013 -3.423 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.141 -3.087 -6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.259 -0.707 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 11 79.981 -0.914 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.671 -2.374 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.291 -0.943 -3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 81.427 -2.306 -2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 80.175 -2.672 -3.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 81.559 -3.654 -3.151 1.00 0.00 H new ATOM 190 N THR A 12 78.394 -5.621 -6.359 1.00 0.00 N ATOM 191 CA THR A 12 77.749 -6.557 -5.445 1.00 0.00 C ATOM 192 C THR A 12 78.437 -6.530 -4.082 1.00 0.00 C ATOM 193 O THR A 12 79.595 -6.927 -3.956 1.00 0.00 O ATOM 194 CB THR A 12 77.808 -7.973 -6.021 1.00 0.00 C ATOM 195 OG1 THR A 12 77.182 -7.990 -7.296 1.00 0.00 O ATOM 196 CG2 THR A 12 77.085 -8.938 -5.082 1.00 0.00 C ATOM 0 H THR A 12 79.241 -5.976 -6.803 1.00 0.00 H new ATOM 0 HA THR A 12 76.708 -6.259 -5.321 1.00 0.00 H new ATOM 0 HB THR A 12 78.848 -8.281 -6.123 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.600 -8.676 -7.857 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.128 -9.946 -5.493 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.567 -8.924 -4.104 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.044 -8.633 -4.978 1.00 0.00 H new ATOM 204 N ILE A 13 77.721 -6.058 -3.063 1.00 0.00 N ATOM 205 CA ILE A 13 78.289 -5.988 -1.719 1.00 0.00 C ATOM 206 C ILE A 13 77.959 -7.247 -0.923 1.00 0.00 C ATOM 207 O ILE A 13 76.793 -7.617 -0.783 1.00 0.00 O ATOM 208 CB ILE A 13 77.745 -4.766 -0.967 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.090 -3.798 -1.958 1.00 0.00 C ATOM 210 CG2 ILE A 13 78.894 -4.058 -0.241 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.852 -2.448 -1.278 1.00 0.00 C ATOM 0 H ILE A 13 76.761 -5.723 -3.140 1.00 0.00 H new ATOM 0 HA ILE A 13 79.371 -5.901 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 13 77.002 -5.092 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.729 -3.669 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.145 -4.209 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.507 -3.190 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.354 -4.745 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.639 -3.734 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.386 -1.762 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.196 -2.584 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.804 -2.035 -0.945 1.00 0.00 H new ATOM 223 N THR A 14 78.993 -7.895 -0.393 1.00 0.00 N ATOM 224 CA THR A 14 78.801 -9.104 0.401 1.00 0.00 C ATOM 225 C THR A 14 78.945 -8.772 1.886 1.00 0.00 C ATOM 226 O THR A 14 79.919 -8.139 2.291 1.00 0.00 O ATOM 227 CB THR A 14 79.837 -10.159 0.002 1.00 0.00 C ATOM 228 OG1 THR A 14 79.740 -10.409 -1.394 1.00 0.00 O ATOM 229 CG2 THR A 14 79.574 -11.451 0.774 1.00 0.00 C ATOM 0 H THR A 14 79.965 -7.606 -0.498 1.00 0.00 H new ATOM 0 HA THR A 14 77.802 -9.499 0.216 1.00 0.00 H new ATOM 0 HB THR A 14 80.837 -9.796 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 14 78.987 -11.012 -1.567 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.312 -12.201 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.648 -11.257 1.844 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.575 -11.818 0.540 1.00 0.00 H new ATOM 237 N LEU A 15 77.970 -9.187 2.690 1.00 0.00 N ATOM 238 CA LEU A 15 78.007 -8.900 4.122 1.00 0.00 C ATOM 239 C LEU A 15 77.450 -10.065 4.935 1.00 0.00 C ATOM 240 O LEU A 15 76.751 -10.930 4.407 1.00 0.00 O ATOM 241 CB LEU A 15 77.176 -7.644 4.449 1.00 0.00 C ATOM 242 CG LEU A 15 77.176 -6.645 3.281 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.115 -5.573 3.541 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.549 -5.975 3.172 1.00 0.00 C ATOM 0 H LEU A 15 77.155 -9.716 2.381 1.00 0.00 H new ATOM 0 HA LEU A 15 79.052 -8.737 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.151 -7.935 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.579 -7.163 5.340 1.00 0.00 H new ATOM 0 HG LEU A 15 76.956 -7.172 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.109 -4.860 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.135 -6.043 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.345 -5.051 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.544 -5.268 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.770 -5.446 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.311 -6.734 2.997 1.00 0.00 H new ATOM 256 N GLU A 16 77.743 -10.057 6.234 1.00 0.00 N ATOM 257 CA GLU A 16 77.247 -11.094 7.134 1.00 0.00 C ATOM 258 C GLU A 16 75.973 -10.599 7.809 1.00 0.00 C ATOM 259 O GLU A 16 75.922 -9.466 8.286 1.00 0.00 O ATOM 260 CB GLU A 16 78.299 -11.424 8.194 1.00 0.00 C ATOM 261 CG GLU A 16 77.740 -12.472 9.158 1.00 0.00 C ATOM 262 CD GLU A 16 78.881 -13.163 9.897 1.00 0.00 C ATOM 263 OE1 GLU A 16 78.906 -13.082 11.114 1.00 0.00 O ATOM 264 OE2 GLU A 16 79.712 -13.763 9.235 1.00 0.00 O ATOM 0 H GLU A 16 78.319 -9.346 6.685 1.00 0.00 H new ATOM 0 HA GLU A 16 77.036 -11.997 6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 16 79.205 -11.799 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.575 -10.522 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 16 77.067 -11.998 9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 16 77.154 -13.208 8.608 1.00 0.00 H new ATOM 271 N VAL A 17 74.937 -11.431 7.824 1.00 0.00 N ATOM 272 CA VAL A 17 73.672 -11.017 8.421 1.00 0.00 C ATOM 273 C VAL A 17 72.969 -12.172 9.138 1.00 0.00 C ATOM 274 O VAL A 17 73.139 -13.337 8.782 1.00 0.00 O ATOM 275 CB VAL A 17 72.763 -10.466 7.321 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.577 -9.581 6.379 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.153 -11.626 6.526 1.00 0.00 C ATOM 0 H VAL A 17 74.945 -12.376 7.439 1.00 0.00 H new ATOM 0 HA VAL A 17 73.883 -10.250 9.167 1.00 0.00 H new ATOM 0 HB VAL A 17 71.966 -9.878 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.928 -9.189 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.009 -8.753 6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.376 -10.169 5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.506 -11.230 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 17 72.950 -12.216 6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.568 -12.258 7.195 1.00 0.00 H new ATOM 287 N GLU A 18 72.163 -11.822 10.144 1.00 0.00 N ATOM 288 CA GLU A 18 71.409 -12.815 10.911 1.00 0.00 C ATOM 289 C GLU A 18 69.907 -12.587 10.701 1.00 0.00 C ATOM 290 O GLU A 18 69.521 -11.684 9.971 1.00 0.00 O ATOM 291 CB GLU A 18 71.748 -12.699 12.406 1.00 0.00 C ATOM 292 CG GLU A 18 73.107 -12.018 12.600 1.00 0.00 C ATOM 293 CD GLU A 18 74.161 -12.650 11.697 1.00 0.00 C ATOM 294 OE1 GLU A 18 75.050 -11.928 11.275 1.00 0.00 O ATOM 295 OE2 GLU A 18 74.067 -13.838 11.438 1.00 0.00 O ATOM 0 H GLU A 18 72.016 -10.859 10.446 1.00 0.00 H new ATOM 0 HA GLU A 18 71.679 -13.813 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 18 70.973 -12.128 12.917 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.764 -13.690 12.859 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.021 -10.954 12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.416 -12.102 13.642 1.00 0.00 H new ATOM 302 N PRO A 19 69.047 -13.365 11.312 1.00 0.00 N ATOM 303 CA PRO A 19 67.575 -13.187 11.150 1.00 0.00 C ATOM 304 C PRO A 19 67.045 -11.964 11.912 1.00 0.00 C ATOM 305 O PRO A 19 65.836 -11.766 12.005 1.00 0.00 O ATOM 306 CB PRO A 19 66.964 -14.479 11.719 1.00 0.00 C ATOM 307 CG PRO A 19 68.105 -15.353 12.144 1.00 0.00 C ATOM 308 CD PRO A 19 69.359 -14.484 12.203 1.00 0.00 C ATOM 0 HA PRO A 19 67.313 -13.013 10.106 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.312 -14.258 12.564 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.353 -14.980 10.968 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.903 -15.799 13.118 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.241 -16.174 11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.563 -14.143 13.218 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.241 -15.030 11.867 1.00 0.00 H new ATOM 316 N SER A 20 67.958 -11.145 12.445 1.00 0.00 N ATOM 317 CA SER A 20 67.567 -9.935 13.183 1.00 0.00 C ATOM 318 C SER A 20 68.140 -8.705 12.480 1.00 0.00 C ATOM 319 O SER A 20 68.050 -7.574 12.955 1.00 0.00 O ATOM 320 CB SER A 20 68.074 -9.999 14.624 1.00 0.00 C ATOM 321 OG SER A 20 69.456 -10.328 14.623 1.00 0.00 O ATOM 0 H SER A 20 68.965 -11.294 12.381 1.00 0.00 H new ATOM 0 HA SER A 20 66.479 -9.868 13.205 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.917 -9.041 15.119 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.512 -10.744 15.186 1.00 0.00 H new ATOM 0 HG SER A 20 69.783 -10.368 15.546 1.00 0.00 H new ATOM 327 N ASP A 21 68.701 -8.984 11.323 1.00 0.00 N ATOM 328 CA ASP A 21 69.302 -8.004 10.425 1.00 0.00 C ATOM 329 C ASP A 21 68.219 -7.323 9.624 1.00 0.00 C ATOM 330 O ASP A 21 68.246 -7.305 8.394 1.00 0.00 O ATOM 331 CB ASP A 21 70.311 -8.641 9.499 1.00 0.00 C ATOM 332 CG ASP A 21 71.654 -8.786 10.203 1.00 0.00 C ATOM 333 OD1 ASP A 21 72.632 -8.279 9.680 1.00 0.00 O ATOM 334 OD2 ASP A 21 71.685 -9.394 11.261 1.00 0.00 O ATOM 0 H ASP A 21 68.756 -9.936 10.962 1.00 0.00 H new ATOM 0 HA ASP A 21 69.831 -7.268 11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.953 -9.619 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.426 -8.033 8.602 1.00 0.00 H new ATOM 339 N THR A 22 67.200 -6.891 10.321 1.00 0.00 N ATOM 340 CA THR A 22 66.029 -6.356 9.655 1.00 0.00 C ATOM 341 C THR A 22 66.361 -5.094 8.889 1.00 0.00 C ATOM 342 O THR A 22 67.247 -4.330 9.250 1.00 0.00 O ATOM 343 CB THR A 22 64.983 -5.971 10.701 1.00 0.00 C ATOM 344 OG1 THR A 22 65.031 -4.567 10.911 1.00 0.00 O ATOM 345 CG2 THR A 22 65.290 -6.687 12.012 1.00 0.00 C ATOM 0 H THR A 22 67.152 -6.896 11.340 1.00 0.00 H new ATOM 0 HA THR A 22 65.662 -7.123 8.973 1.00 0.00 H new ATOM 0 HB THR A 22 63.991 -6.259 10.352 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.361 -4.313 11.580 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.545 -6.413 12.759 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.265 -7.765 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.280 -6.395 12.363 1.00 0.00 H new ATOM 353 N ILE A 23 65.646 -4.952 7.779 1.00 0.00 N ATOM 354 CA ILE A 23 65.821 -3.848 6.849 1.00 0.00 C ATOM 355 C ILE A 23 66.294 -2.582 7.558 1.00 0.00 C ATOM 356 O ILE A 23 67.031 -1.781 6.983 1.00 0.00 O ATOM 357 CB ILE A 23 64.503 -3.609 6.110 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.310 -4.697 5.037 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.535 -2.244 5.427 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.250 -6.094 5.679 1.00 0.00 C ATOM 0 H ILE A 23 64.919 -5.610 7.498 1.00 0.00 H new ATOM 0 HA ILE A 23 66.598 -4.110 6.131 1.00 0.00 H new ATOM 0 HB ILE A 23 63.682 -3.643 6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.391 -4.507 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.130 -4.656 4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.594 -2.078 4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.675 -1.465 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.359 -2.213 4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.113 -6.846 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.180 -6.289 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.414 -6.138 6.377 1.00 0.00 H new ATOM 372 N GLU A 24 65.896 -2.415 8.813 1.00 0.00 N ATOM 373 CA GLU A 24 66.321 -1.251 9.581 1.00 0.00 C ATOM 374 C GLU A 24 67.815 -1.359 9.892 1.00 0.00 C ATOM 375 O GLU A 24 68.579 -0.421 9.665 1.00 0.00 O ATOM 376 CB GLU A 24 65.522 -1.160 10.882 1.00 0.00 C ATOM 377 CG GLU A 24 66.059 -0.008 11.732 1.00 0.00 C ATOM 378 CD GLU A 24 67.150 -0.515 12.669 1.00 0.00 C ATOM 379 OE1 GLU A 24 68.309 -0.430 12.297 1.00 0.00 O ATOM 380 OE2 GLU A 24 66.812 -0.982 13.744 1.00 0.00 O ATOM 0 H GLU A 24 65.288 -3.061 9.316 1.00 0.00 H new ATOM 0 HA GLU A 24 66.140 -0.350 8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.466 -1.002 10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.596 -2.098 11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.457 0.776 11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.249 0.436 12.310 1.00 0.00 H new ATOM 387 N ASN A 25 68.220 -2.521 10.401 1.00 0.00 N ATOM 388 CA ASN A 25 69.620 -2.770 10.730 1.00 0.00 C ATOM 389 C ASN A 25 70.453 -2.902 9.458 1.00 0.00 C ATOM 390 O ASN A 25 71.554 -2.359 9.365 1.00 0.00 O ATOM 391 CB ASN A 25 69.744 -4.060 11.547 1.00 0.00 C ATOM 392 CG ASN A 25 71.001 -4.006 12.409 1.00 0.00 C ATOM 393 OD1 ASN A 25 71.056 -3.253 13.381 1.00 0.00 O ATOM 394 ND2 ASN A 25 72.023 -4.758 12.105 1.00 0.00 N ATOM 0 H ASN A 25 67.597 -3.305 10.594 1.00 0.00 H new ATOM 0 HA ASN A 25 69.990 -1.927 11.314 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.864 -4.188 12.178 1.00 0.00 H new ATOM 0 HB3 ASN A 25 69.786 -4.921 10.880 1.00 0.00 H new ATOM 0 HD21 ASN A 25 72.869 -4.722 12.673 1.00 0.00 H new ATOM 0 HD22 ASN A 25 71.976 -5.381 11.299 1.00 0.00 H new ATOM 401 N ALA A 26 69.920 -3.634 8.485 1.00 0.00 N ATOM 402 CA ALA A 26 70.623 -3.844 7.223 1.00 0.00 C ATOM 403 C ALA A 26 70.931 -2.511 6.548 1.00 0.00 C ATOM 404 O ALA A 26 72.012 -2.320 5.995 1.00 0.00 O ATOM 405 CB ALA A 26 69.773 -4.707 6.290 1.00 0.00 C ATOM 0 H ALA A 26 69.009 -4.089 8.544 1.00 0.00 H new ATOM 0 HA ALA A 26 71.563 -4.354 7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.304 -4.859 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.583 -5.672 6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.825 -4.206 6.094 1.00 0.00 H new ATOM 411 N LYS A 27 69.972 -1.593 6.597 1.00 0.00 N ATOM 412 CA LYS A 27 70.156 -0.282 5.987 1.00 0.00 C ATOM 413 C LYS A 27 71.338 0.438 6.625 1.00 0.00 C ATOM 414 O LYS A 27 72.055 1.188 5.961 1.00 0.00 O ATOM 415 CB LYS A 27 68.889 0.560 6.166 1.00 0.00 C ATOM 416 CG LYS A 27 67.963 0.361 4.964 1.00 0.00 C ATOM 417 CD LYS A 27 66.607 1.007 5.256 1.00 0.00 C ATOM 418 CE LYS A 27 65.642 0.717 4.105 1.00 0.00 C ATOM 419 NZ LYS A 27 65.190 2.002 3.500 1.00 0.00 N ATOM 0 H LYS A 27 69.068 -1.730 7.048 1.00 0.00 H new ATOM 0 HA LYS A 27 70.354 -0.419 4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.376 0.272 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.152 1.613 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.406 0.805 4.072 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.836 -0.702 4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.202 0.619 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.725 2.083 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.132 0.101 3.352 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.784 0.152 4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.162 1.971 3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 65.422 2.788 4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 65.671 2.145 2.589 1.00 0.00 H new ATOM 433 N ALA A 28 71.535 0.204 7.917 1.00 0.00 N ATOM 434 CA ALA A 28 72.633 0.832 8.642 1.00 0.00 C ATOM 435 C ALA A 28 73.974 0.257 8.199 1.00 0.00 C ATOM 436 O ALA A 28 74.969 0.976 8.109 1.00 0.00 O ATOM 437 CB ALA A 28 72.455 0.614 10.146 1.00 0.00 C ATOM 0 H ALA A 28 70.952 -0.413 8.482 1.00 0.00 H new ATOM 0 HA ALA A 28 72.622 1.900 8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.279 1.086 10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.512 1.056 10.469 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.447 -0.455 10.360 1.00 0.00 H new ATOM 443 N LYS A 29 73.997 -1.044 7.927 1.00 0.00 N ATOM 444 CA LYS A 29 75.225 -1.704 7.498 1.00 0.00 C ATOM 445 C LYS A 29 75.700 -1.146 6.161 1.00 0.00 C ATOM 446 O LYS A 29 76.890 -0.891 5.973 1.00 0.00 O ATOM 447 CB LYS A 29 74.992 -3.210 7.372 1.00 0.00 C ATOM 448 CG LYS A 29 75.192 -3.875 8.735 1.00 0.00 C ATOM 449 CD LYS A 29 74.538 -5.258 8.730 1.00 0.00 C ATOM 450 CE LYS A 29 75.172 -6.127 9.818 1.00 0.00 C ATOM 451 NZ LYS A 29 76.349 -6.847 9.255 1.00 0.00 N ATOM 0 H LYS A 29 73.186 -1.658 7.995 1.00 0.00 H new ATOM 0 HA LYS A 29 75.994 -1.517 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 29 73.984 -3.403 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.682 -3.635 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.256 -3.965 8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.755 -3.258 9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.466 -5.165 8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.664 -5.728 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.480 -5.507 10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 29 74.443 -6.842 10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.078 -6.948 9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.055 -7.789 8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 76.736 -6.307 8.455 1.00 0.00 H new ATOM 465 N ILE A 30 74.767 -0.957 5.237 1.00 0.00 N ATOM 466 CA ILE A 30 75.107 -0.426 3.922 1.00 0.00 C ATOM 467 C ILE A 30 75.519 1.038 4.031 1.00 0.00 C ATOM 468 O ILE A 30 76.424 1.492 3.333 1.00 0.00 O ATOM 469 CB ILE A 30 73.915 -0.560 2.976 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.902 -1.970 2.383 1.00 0.00 C ATOM 471 CG2 ILE A 30 74.033 0.464 1.843 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.462 -2.391 2.108 1.00 0.00 C ATOM 0 H ILE A 30 73.777 -1.161 5.371 1.00 0.00 H new ATOM 0 HA ILE A 30 75.944 -0.999 3.523 1.00 0.00 H new ATOM 0 HB ILE A 30 72.993 -0.380 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.482 -1.994 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.372 -2.671 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.180 0.364 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.049 1.470 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.954 0.288 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.451 -3.396 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.896 -2.383 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.008 -1.695 1.402 1.00 0.00 H new ATOM 484 N GLN A 31 74.847 1.767 4.913 1.00 0.00 N ATOM 485 CA GLN A 31 75.151 3.179 5.109 1.00 0.00 C ATOM 486 C GLN A 31 76.613 3.364 5.502 1.00 0.00 C ATOM 487 O GLN A 31 77.308 4.220 4.960 1.00 0.00 O ATOM 488 CB GLN A 31 74.250 3.760 6.202 1.00 0.00 C ATOM 489 CG GLN A 31 74.351 5.286 6.196 1.00 0.00 C ATOM 490 CD GLN A 31 74.365 5.812 7.627 1.00 0.00 C ATOM 491 OE1 GLN A 31 73.745 5.222 8.512 1.00 0.00 O ATOM 492 NE2 GLN A 31 75.043 6.890 7.910 1.00 0.00 N ATOM 0 H GLN A 31 74.094 1.408 5.500 1.00 0.00 H new ATOM 0 HA GLN A 31 74.970 3.703 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.217 3.454 6.036 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.546 3.370 7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.257 5.597 5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.509 5.713 5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 31 75.556 7.377 7.175 1.00 0.00 H new ATOM 0 HE22 GLN A 31 75.060 7.245 8.866 1.00 0.00 H new ATOM 501 N ASP A 32 77.074 2.559 6.450 1.00 0.00 N ATOM 502 CA ASP A 32 78.457 2.649 6.905 1.00 0.00 C ATOM 503 C ASP A 32 79.425 2.267 5.790 1.00 0.00 C ATOM 504 O ASP A 32 80.619 2.556 5.868 1.00 0.00 O ATOM 505 CB ASP A 32 78.669 1.725 8.107 1.00 0.00 C ATOM 506 CG ASP A 32 80.159 1.540 8.369 1.00 0.00 C ATOM 507 OD1 ASP A 32 80.772 0.757 7.660 1.00 0.00 O ATOM 508 OD2 ASP A 32 80.666 2.179 9.276 1.00 0.00 O ATOM 0 H ASP A 32 76.517 1.842 6.916 1.00 0.00 H new ATOM 0 HA ASP A 32 78.654 3.681 7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.186 2.146 8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.202 0.758 7.919 1.00 0.00 H new ATOM 513 N LYS A 33 78.909 1.606 4.759 1.00 0.00 N ATOM 514 CA LYS A 33 79.748 1.179 3.643 1.00 0.00 C ATOM 515 C LYS A 33 79.684 2.166 2.476 1.00 0.00 C ATOM 516 O LYS A 33 80.705 2.469 1.860 1.00 0.00 O ATOM 517 CB LYS A 33 79.304 -0.203 3.158 1.00 0.00 C ATOM 518 CG LYS A 33 79.661 -1.255 4.210 1.00 0.00 C ATOM 519 CD LYS A 33 80.815 -2.120 3.696 1.00 0.00 C ATOM 520 CE LYS A 33 81.181 -3.164 4.751 1.00 0.00 C ATOM 521 NZ LYS A 33 82.599 -2.972 5.169 1.00 0.00 N ATOM 0 H LYS A 33 77.924 1.356 4.672 1.00 0.00 H new ATOM 0 HA LYS A 33 80.777 1.140 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.230 -0.207 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.790 -0.441 2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.944 -0.769 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.793 -1.878 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.528 -2.612 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.680 -1.495 3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.521 -3.072 5.613 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.042 -4.167 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.849 -3.682 5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.222 -3.081 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.717 -2.019 5.569 1.00 0.00 H new ATOM 535 N GLU A 34 78.481 2.644 2.162 1.00 0.00 N ATOM 536 CA GLU A 34 78.311 3.573 1.046 1.00 0.00 C ATOM 537 C GLU A 34 78.131 5.012 1.527 1.00 0.00 C ATOM 538 O GLU A 34 78.403 5.957 0.787 1.00 0.00 O ATOM 539 CB GLU A 34 77.094 3.161 0.216 1.00 0.00 C ATOM 540 CG GLU A 34 77.348 1.790 -0.416 1.00 0.00 C ATOM 541 CD GLU A 34 76.194 1.422 -1.342 1.00 0.00 C ATOM 542 OE1 GLU A 34 76.349 1.579 -2.542 1.00 0.00 O ATOM 543 OE2 GLU A 34 75.170 0.988 -0.838 1.00 0.00 O ATOM 0 H GLU A 34 77.621 2.408 2.657 1.00 0.00 H new ATOM 0 HA GLU A 34 79.215 3.531 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.206 3.124 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 34 76.902 3.901 -0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.283 1.806 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 34 77.455 1.035 0.363 1.00 0.00 H new ATOM 550 N GLY A 35 77.670 5.180 2.762 1.00 0.00 N ATOM 551 CA GLY A 35 77.460 6.521 3.305 1.00 0.00 C ATOM 552 C GLY A 35 76.130 7.092 2.828 1.00 0.00 C ATOM 553 O GLY A 35 75.963 8.309 2.731 1.00 0.00 O ATOM 0 H GLY A 35 77.437 4.418 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.476 6.485 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.275 7.176 2.996 1.00 0.00 H new ATOM 557 N ILE A 36 75.186 6.205 2.527 1.00 0.00 N ATOM 558 CA ILE A 36 73.873 6.625 2.056 1.00 0.00 C ATOM 559 C ILE A 36 72.845 6.557 3.196 1.00 0.00 C ATOM 560 O ILE A 36 72.432 5.464 3.582 1.00 0.00 O ATOM 561 CB ILE A 36 73.424 5.705 0.918 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.465 5.750 -0.206 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.071 6.177 0.380 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.122 4.704 -1.269 1.00 0.00 C ATOM 0 H ILE A 36 75.306 5.195 2.601 1.00 0.00 H new ATOM 0 HA ILE A 36 73.940 7.654 1.701 1.00 0.00 H new ATOM 0 HB ILE A 36 73.328 4.685 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.488 6.744 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.459 5.559 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.753 5.521 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.332 6.150 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.164 7.197 0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.864 4.739 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 36 74.122 3.712 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.136 4.915 -1.682 1.00 0.00 H new ATOM 576 N PRO A 37 72.419 7.675 3.749 1.00 0.00 N ATOM 577 CA PRO A 37 71.422 7.672 4.862 1.00 0.00 C ATOM 578 C PRO A 37 70.240 6.734 4.567 1.00 0.00 C ATOM 579 O PRO A 37 69.740 6.716 3.444 1.00 0.00 O ATOM 580 CB PRO A 37 70.958 9.127 4.931 1.00 0.00 C ATOM 581 CG PRO A 37 72.105 9.928 4.416 1.00 0.00 C ATOM 582 CD PRO A 37 72.822 9.049 3.391 1.00 0.00 C ATOM 0 HA PRO A 37 71.847 7.311 5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 37 70.065 9.285 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 37 70.706 9.412 5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 37 71.757 10.854 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 37 72.778 10.207 5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.523 9.299 2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.903 9.174 3.446 1.00 0.00 H new ATOM 590 N PRO A 38 69.781 5.959 5.529 1.00 0.00 N ATOM 591 CA PRO A 38 68.636 5.026 5.318 1.00 0.00 C ATOM 592 C PRO A 38 67.506 5.660 4.505 1.00 0.00 C ATOM 593 O PRO A 38 66.627 4.960 4.000 1.00 0.00 O ATOM 594 CB PRO A 38 68.161 4.707 6.734 1.00 0.00 C ATOM 595 CG PRO A 38 69.353 4.888 7.613 1.00 0.00 C ATOM 596 CD PRO A 38 70.290 5.877 6.913 1.00 0.00 C ATOM 0 HA PRO A 38 68.935 4.146 4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.350 5.371 7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.779 3.688 6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.055 5.267 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.855 3.935 7.780 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.272 6.852 7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.322 5.528 6.935 1.00 0.00 H new ATOM 604 N ASP A 39 67.527 6.983 4.393 1.00 0.00 N ATOM 605 CA ASP A 39 66.493 7.698 3.651 1.00 0.00 C ATOM 606 C ASP A 39 66.644 7.487 2.147 1.00 0.00 C ATOM 607 O ASP A 39 65.664 7.532 1.405 1.00 0.00 O ATOM 608 CB ASP A 39 66.568 9.193 3.966 1.00 0.00 C ATOM 609 CG ASP A 39 65.406 9.597 4.868 1.00 0.00 C ATOM 610 OD1 ASP A 39 64.378 9.984 4.337 1.00 0.00 O ATOM 611 OD2 ASP A 39 65.562 9.515 6.074 1.00 0.00 O ATOM 0 H ASP A 39 68.244 7.581 4.804 1.00 0.00 H new ATOM 0 HA ASP A 39 65.525 7.303 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.515 9.423 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 39 66.538 9.769 3.041 1.00 0.00 H new ATOM 616 N GLN A 40 67.878 7.269 1.703 1.00 0.00 N ATOM 617 CA GLN A 40 68.145 7.063 0.281 1.00 0.00 C ATOM 618 C GLN A 40 68.414 5.592 -0.016 1.00 0.00 C ATOM 619 O GLN A 40 68.844 5.244 -1.115 1.00 0.00 O ATOM 620 CB GLN A 40 69.352 7.899 -0.147 1.00 0.00 C ATOM 621 CG GLN A 40 68.868 9.166 -0.855 1.00 0.00 C ATOM 622 CD GLN A 40 70.012 10.168 -0.972 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.236 10.965 -0.062 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.753 10.175 -2.046 1.00 0.00 N ATOM 0 H GLN A 40 68.704 7.230 2.301 1.00 0.00 H new ATOM 0 HA GLN A 40 67.264 7.375 -0.280 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.953 8.163 0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.992 7.319 -0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 40 68.490 8.916 -1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 40 68.041 9.609 -0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.566 9.513 -2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.520 10.842 -2.132 1.00 0.00 H new ATOM 633 N GLN A 41 68.162 4.735 0.967 1.00 0.00 N ATOM 634 CA GLN A 41 68.387 3.304 0.796 1.00 0.00 C ATOM 635 C GLN A 41 67.065 2.571 0.576 1.00 0.00 C ATOM 636 O GLN A 41 66.144 2.681 1.383 1.00 0.00 O ATOM 637 CB GLN A 41 69.084 2.734 2.031 1.00 0.00 C ATOM 638 CG GLN A 41 70.445 3.409 2.210 1.00 0.00 C ATOM 639 CD GLN A 41 71.300 2.613 3.189 1.00 0.00 C ATOM 640 OE1 GLN A 41 70.873 1.567 3.680 1.00 0.00 O ATOM 641 NE2 GLN A 41 72.489 3.046 3.504 1.00 0.00 N ATOM 0 H GLN A 41 67.805 5.003 1.884 1.00 0.00 H new ATOM 0 HA GLN A 41 69.019 3.160 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.468 2.895 2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.212 1.657 1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.953 3.482 1.248 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.310 4.426 2.577 1.00 0.00 H new ATOM 0 HE21 GLN A 41 72.841 3.912 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 41 73.067 2.518 4.158 1.00 0.00 H new ATOM 650 N ARG A 42 66.987 1.820 -0.520 1.00 0.00 N ATOM 651 CA ARG A 42 65.779 1.065 -0.838 1.00 0.00 C ATOM 652 C ARG A 42 66.137 -0.371 -1.206 1.00 0.00 C ATOM 653 O ARG A 42 66.832 -0.614 -2.193 1.00 0.00 O ATOM 654 CB ARG A 42 65.038 1.722 -2.002 1.00 0.00 C ATOM 655 CG ARG A 42 63.678 2.228 -1.519 1.00 0.00 C ATOM 656 CD ARG A 42 62.919 2.839 -2.695 1.00 0.00 C ATOM 657 NE ARG A 42 61.591 3.268 -2.273 1.00 0.00 N ATOM 658 CZ ARG A 42 60.714 3.748 -3.147 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.531 4.128 -2.745 1.00 0.00 N ATOM 660 NH2 ARG A 42 61.035 3.843 -4.410 1.00 0.00 N ATOM 0 H ARG A 42 67.741 1.719 -1.199 1.00 0.00 H new ATOM 0 HA ARG A 42 65.133 1.059 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.625 2.549 -2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 42 64.905 1.006 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.104 1.408 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.812 2.971 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.474 3.689 -3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.834 2.109 -3.500 1.00 0.00 H new ATOM 0 HE ARG A 42 61.331 3.198 -1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.280 4.056 -1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.858 4.497 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.959 3.548 -4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.361 4.212 -5.081 1.00 0.00 H new ATOM 674 N LEU A 43 65.665 -1.320 -0.403 1.00 0.00 N ATOM 675 CA LEU A 43 65.950 -2.727 -0.656 1.00 0.00 C ATOM 676 C LEU A 43 64.778 -3.403 -1.362 1.00 0.00 C ATOM 677 O LEU A 43 63.664 -3.437 -0.843 1.00 0.00 O ATOM 678 CB LEU A 43 66.236 -3.445 0.665 1.00 0.00 C ATOM 679 CG LEU A 43 67.241 -2.632 1.482 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.572 -3.378 2.776 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.521 -2.437 0.665 1.00 0.00 C ATOM 0 H LEU A 43 65.089 -1.143 0.420 1.00 0.00 H new ATOM 0 HA LEU A 43 66.825 -2.787 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.312 -3.573 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.631 -4.442 0.471 1.00 0.00 H new ATOM 0 HG LEU A 43 66.810 -1.660 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.288 -2.798 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.661 -3.519 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 43 68.003 -4.350 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.239 -1.858 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 43 68.950 -3.409 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.287 -1.905 -0.257 1.00 0.00 H new ATOM 693 N ILE A 44 65.049 -3.941 -2.549 1.00 0.00 N ATOM 694 CA ILE A 44 64.022 -4.624 -3.331 1.00 0.00 C ATOM 695 C ILE A 44 64.390 -6.096 -3.503 1.00 0.00 C ATOM 696 O ILE A 44 65.539 -6.426 -3.795 1.00 0.00 O ATOM 697 CB ILE A 44 63.889 -3.964 -4.710 1.00 0.00 C ATOM 698 CG1 ILE A 44 62.952 -2.754 -4.619 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.310 -4.969 -5.710 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.527 -1.722 -3.646 1.00 0.00 C ATOM 0 H ILE A 44 65.969 -3.917 -2.989 1.00 0.00 H new ATOM 0 HA ILE A 44 63.071 -4.551 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 44 64.875 -3.640 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.825 -2.306 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.965 -3.072 -4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.217 -4.497 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 44 63.973 -5.831 -5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.327 -5.296 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.856 -0.865 -3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.631 -2.171 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.504 -1.394 -4.000 1.00 0.00 H new ATOM 712 N PHE A 45 63.411 -6.977 -3.319 1.00 0.00 N ATOM 713 CA PHE A 45 63.653 -8.410 -3.460 1.00 0.00 C ATOM 714 C PHE A 45 62.459 -9.093 -4.116 1.00 0.00 C ATOM 715 O PHE A 45 61.351 -9.077 -3.582 1.00 0.00 O ATOM 716 CB PHE A 45 63.911 -9.035 -2.086 1.00 0.00 C ATOM 717 CG PHE A 45 64.137 -10.521 -2.241 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.111 -11.419 -1.924 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.370 -10.999 -2.701 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.318 -12.798 -2.068 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.577 -12.376 -2.845 1.00 0.00 C ATOM 722 CZ PHE A 45 64.551 -13.275 -2.528 1.00 0.00 C ATOM 0 H PHE A 45 62.452 -6.728 -3.075 1.00 0.00 H new ATOM 0 HA PHE A 45 64.530 -8.550 -4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.781 -8.571 -1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.062 -8.853 -1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.160 -11.050 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.161 -10.305 -2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.527 -13.492 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.528 -12.745 -3.200 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.711 -14.337 -2.639 1.00 0.00 H new ATOM 732 N ALA A 46 62.694 -9.693 -5.279 1.00 0.00 N ATOM 733 CA ALA A 46 61.630 -10.380 -6.001 1.00 0.00 C ATOM 734 C ALA A 46 60.647 -9.374 -6.591 1.00 0.00 C ATOM 735 O ALA A 46 59.437 -9.601 -6.592 1.00 0.00 O ATOM 736 CB ALA A 46 60.888 -11.330 -5.060 1.00 0.00 C ATOM 0 H ALA A 46 63.604 -9.717 -5.738 1.00 0.00 H new ATOM 0 HA ALA A 46 62.079 -10.952 -6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.095 -11.839 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.586 -12.067 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.454 -10.762 -4.237 1.00 0.00 H new ATOM 742 N GLY A 47 61.174 -8.261 -7.092 1.00 0.00 N ATOM 743 CA GLY A 47 60.333 -7.227 -7.682 1.00 0.00 C ATOM 744 C GLY A 47 59.447 -6.579 -6.623 1.00 0.00 C ATOM 745 O GLY A 47 58.744 -5.606 -6.900 1.00 0.00 O ATOM 0 H GLY A 47 62.173 -8.053 -7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 47 60.958 -6.469 -8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.712 -7.660 -8.466 1.00 0.00 H new ATOM 749 N LYS A 48 59.484 -7.123 -5.413 1.00 0.00 N ATOM 750 CA LYS A 48 58.679 -6.590 -4.320 1.00 0.00 C ATOM 751 C LYS A 48 59.516 -5.669 -3.438 1.00 0.00 C ATOM 752 O LYS A 48 60.688 -5.939 -3.177 1.00 0.00 O ATOM 753 CB LYS A 48 58.121 -7.736 -3.474 1.00 0.00 C ATOM 754 CG LYS A 48 56.594 -7.656 -3.444 1.00 0.00 C ATOM 755 CD LYS A 48 56.042 -8.716 -2.487 1.00 0.00 C ATOM 756 CE LYS A 48 55.126 -9.670 -3.252 1.00 0.00 C ATOM 757 NZ LYS A 48 53.933 -8.927 -3.746 1.00 0.00 N ATOM 0 H LYS A 48 60.059 -7.928 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 48 57.855 -6.018 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 48 58.437 -8.694 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.518 -7.680 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.278 -6.663 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 48 56.192 -7.811 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.862 -9.271 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.491 -8.238 -1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 48 55.664 -10.113 -4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 48 54.814 -10.489 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 53.132 -9.583 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 53.685 -8.178 -3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 54.148 -8.501 -4.670 1.00 0.00 H new ATOM 771 N GLN A 49 58.903 -4.582 -2.979 1.00 0.00 N ATOM 772 CA GLN A 49 59.600 -3.630 -2.122 1.00 0.00 C ATOM 773 C GLN A 49 59.517 -4.070 -0.664 1.00 0.00 C ATOM 774 O GLN A 49 58.496 -4.598 -0.224 1.00 0.00 O ATOM 775 CB GLN A 49 58.983 -2.239 -2.276 1.00 0.00 C ATOM 776 CG GLN A 49 59.717 -1.252 -1.366 1.00 0.00 C ATOM 777 CD GLN A 49 59.548 0.169 -1.894 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.607 0.866 -1.513 1.00 0.00 O ATOM 779 NE2 GLN A 49 60.409 0.644 -2.750 1.00 0.00 N ATOM 0 H GLN A 49 57.934 -4.340 -3.184 1.00 0.00 H new ATOM 0 HA GLN A 49 60.647 -3.594 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.050 -1.912 -3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 49 57.924 -2.269 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 49 59.326 -1.321 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.776 -1.507 -1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 49 61.188 0.065 -3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 49 60.304 1.594 -3.105 1.00 0.00 H new ATOM 788 N LEU A 50 60.598 -3.855 0.078 1.00 0.00 N ATOM 789 CA LEU A 50 60.633 -4.240 1.485 1.00 0.00 C ATOM 790 C LEU A 50 60.306 -3.049 2.382 1.00 0.00 C ATOM 791 O LEU A 50 60.518 -1.898 2.002 1.00 0.00 O ATOM 792 CB LEU A 50 62.014 -4.788 1.848 1.00 0.00 C ATOM 793 CG LEU A 50 62.441 -5.842 0.823 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.786 -6.440 1.238 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.391 -6.953 0.762 1.00 0.00 C ATOM 0 H LEU A 50 61.454 -3.421 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 50 59.882 -5.014 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.742 -3.977 1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 50 61.990 -5.227 2.846 1.00 0.00 H new ATOM 0 HG LEU A 50 62.534 -5.375 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.091 -7.191 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.537 -5.651 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.690 -6.905 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.696 -7.703 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.297 -7.419 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.430 -6.530 0.468 1.00 0.00 H new ATOM 807 N GLU A 51 59.789 -3.341 3.574 1.00 0.00 N ATOM 808 CA GLU A 51 59.431 -2.296 4.529 1.00 0.00 C ATOM 809 C GLU A 51 60.201 -2.473 5.832 1.00 0.00 C ATOM 810 O GLU A 51 60.628 -3.577 6.171 1.00 0.00 O ATOM 811 CB GLU A 51 57.929 -2.343 4.815 1.00 0.00 C ATOM 812 CG GLU A 51 57.158 -1.913 3.565 1.00 0.00 C ATOM 813 CD GLU A 51 57.119 -0.392 3.474 1.00 0.00 C ATOM 814 OE1 GLU A 51 56.169 0.188 3.972 1.00 0.00 O ATOM 815 OE2 GLU A 51 58.042 0.172 2.908 1.00 0.00 O ATOM 0 H GLU A 51 59.609 -4.291 3.900 1.00 0.00 H new ATOM 0 HA GLU A 51 59.690 -1.330 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.635 -3.351 5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.686 -1.685 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 51 57.632 -2.327 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 51 56.143 -2.310 3.599 1.00 0.00 H new ATOM 822 N ASP A 52 60.374 -1.375 6.558 1.00 0.00 N ATOM 823 CA ASP A 52 61.090 -1.406 7.823 1.00 0.00 C ATOM 824 C ASP A 52 60.212 -1.998 8.921 1.00 0.00 C ATOM 825 O ASP A 52 59.113 -1.512 9.182 1.00 0.00 O ATOM 826 CB ASP A 52 61.509 0.012 8.211 1.00 0.00 C ATOM 827 CG ASP A 52 60.883 1.023 7.257 1.00 0.00 C ATOM 828 OD1 ASP A 52 59.668 1.136 7.264 1.00 0.00 O ATOM 829 OD2 ASP A 52 61.623 1.666 6.532 1.00 0.00 O ATOM 0 H ASP A 52 60.028 -0.454 6.291 1.00 0.00 H new ATOM 0 HA ASP A 52 61.975 -2.031 7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.198 0.224 9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.595 0.099 8.184 1.00 0.00 H new ATOM 834 N GLY A 53 60.706 -3.055 9.561 1.00 0.00 N ATOM 835 CA GLY A 53 59.958 -3.710 10.628 1.00 0.00 C ATOM 836 C GLY A 53 60.022 -5.225 10.478 1.00 0.00 C ATOM 837 O GLY A 53 59.989 -5.961 11.465 1.00 0.00 O ATOM 0 H GLY A 53 61.615 -3.473 9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.364 -3.418 11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.919 -3.381 10.606 1.00 0.00 H new ATOM 841 N ARG A 54 60.125 -5.683 9.236 1.00 0.00 N ATOM 842 CA ARG A 54 60.205 -7.111 8.961 1.00 0.00 C ATOM 843 C ARG A 54 61.663 -7.546 8.934 1.00 0.00 C ATOM 844 O ARG A 54 62.536 -6.768 8.548 1.00 0.00 O ATOM 845 CB ARG A 54 59.552 -7.434 7.615 1.00 0.00 C ATOM 846 CG ARG A 54 58.697 -6.251 7.149 1.00 0.00 C ATOM 847 CD ARG A 54 57.657 -5.910 8.222 1.00 0.00 C ATOM 848 NE ARG A 54 56.331 -5.810 7.623 1.00 0.00 N ATOM 849 CZ ARG A 54 55.660 -6.897 7.254 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.472 -6.783 6.726 1.00 0.00 N ATOM 851 NH2 ARG A 54 56.188 -8.078 7.420 1.00 0.00 N ATOM 0 H ARG A 54 60.155 -5.089 8.407 1.00 0.00 H new ATOM 0 HA ARG A 54 59.676 -7.648 9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.319 -7.653 6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 54 58.933 -8.327 7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.331 -5.386 6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.199 -6.497 6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.658 -6.677 8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.918 -4.969 8.706 1.00 0.00 H new ATOM 0 HE ARG A 54 55.911 -4.891 7.485 1.00 0.00 H new ATOM 0 HH11 ARG A 54 54.058 -5.860 6.596 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.958 -7.617 6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 54 57.116 -8.168 7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 54 55.673 -8.911 7.137 1.00 0.00 H new ATOM 865 N THR A 55 61.928 -8.779 9.357 1.00 0.00 N ATOM 866 CA THR A 55 63.297 -9.273 9.383 1.00 0.00 C ATOM 867 C THR A 55 63.592 -10.188 8.214 1.00 0.00 C ATOM 868 O THR A 55 62.692 -10.606 7.487 1.00 0.00 O ATOM 869 CB THR A 55 63.580 -9.998 10.693 1.00 0.00 C ATOM 870 OG1 THR A 55 62.841 -11.211 10.743 1.00 0.00 O ATOM 871 CG2 THR A 55 63.172 -9.091 11.843 1.00 0.00 C ATOM 0 H THR A 55 61.225 -9.443 9.681 1.00 0.00 H new ATOM 0 HA THR A 55 63.952 -8.406 9.302 1.00 0.00 H new ATOM 0 HB THR A 55 64.641 -10.236 10.767 1.00 0.00 H new ATOM 0 HG1 THR A 55 63.028 -11.673 11.587 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.368 -9.594 12.790 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.746 -8.166 11.798 1.00 0.00 H new ATOM 0 HG23 THR A 55 62.109 -8.862 11.766 1.00 0.00 H new ATOM 879 N LEU A 56 64.871 -10.490 8.042 1.00 0.00 N ATOM 880 CA LEU A 56 65.293 -11.352 6.960 1.00 0.00 C ATOM 881 C LEU A 56 64.561 -12.684 7.062 1.00 0.00 C ATOM 882 O LEU A 56 64.216 -13.296 6.051 1.00 0.00 O ATOM 883 CB LEU A 56 66.807 -11.601 7.041 1.00 0.00 C ATOM 884 CG LEU A 56 67.593 -10.319 6.723 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.089 -10.616 6.819 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.283 -9.840 5.304 1.00 0.00 C ATOM 0 H LEU A 56 65.627 -10.151 8.637 1.00 0.00 H new ATOM 0 HA LEU A 56 65.060 -10.870 6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.068 -11.954 8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.088 -12.387 6.341 1.00 0.00 H new ATOM 0 HG LEU A 56 67.306 -9.545 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.655 -9.712 6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.329 -10.953 7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.352 -11.395 6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.848 -8.931 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.563 -10.614 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.217 -9.633 5.215 1.00 0.00 H new ATOM 898 N SER A 57 64.326 -13.121 8.295 1.00 0.00 N ATOM 899 CA SER A 57 63.630 -14.381 8.531 1.00 0.00 C ATOM 900 C SER A 57 62.149 -14.263 8.176 1.00 0.00 C ATOM 901 O SER A 57 61.505 -15.251 7.824 1.00 0.00 O ATOM 902 CB SER A 57 63.771 -14.785 9.999 1.00 0.00 C ATOM 903 OG SER A 57 62.479 -14.984 10.557 1.00 0.00 O ATOM 0 H SER A 57 64.605 -12.625 9.141 1.00 0.00 H new ATOM 0 HA SER A 57 64.080 -15.143 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.360 -15.698 10.082 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.303 -14.011 10.552 1.00 0.00 H new ATOM 0 HG SER A 57 62.566 -15.245 11.498 1.00 0.00 H new ATOM 909 N ASP A 58 61.611 -13.050 8.283 1.00 0.00 N ATOM 910 CA ASP A 58 60.201 -12.819 7.983 1.00 0.00 C ATOM 911 C ASP A 58 59.948 -12.814 6.477 1.00 0.00 C ATOM 912 O ASP A 58 58.917 -13.299 6.013 1.00 0.00 O ATOM 913 CB ASP A 58 59.753 -11.484 8.580 1.00 0.00 C ATOM 914 CG ASP A 58 60.096 -11.441 10.064 1.00 0.00 C ATOM 915 OD1 ASP A 58 60.418 -12.484 10.608 1.00 0.00 O ATOM 916 OD2 ASP A 58 60.031 -10.365 10.638 1.00 0.00 O ATOM 0 H ASP A 58 62.126 -12.218 8.573 1.00 0.00 H new ATOM 0 HA ASP A 58 59.626 -13.633 8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.242 -10.660 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.680 -11.355 8.442 1.00 0.00 H new ATOM 921 N TYR A 59 60.889 -12.264 5.717 1.00 0.00 N ATOM 922 CA TYR A 59 60.743 -12.210 4.267 1.00 0.00 C ATOM 923 C TYR A 59 61.235 -13.510 3.646 1.00 0.00 C ATOM 924 O TYR A 59 61.238 -13.669 2.425 1.00 0.00 O ATOM 925 CB TYR A 59 61.537 -11.033 3.696 1.00 0.00 C ATOM 926 CG TYR A 59 60.635 -9.827 3.560 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.555 -9.860 2.668 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.877 -8.680 4.323 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.720 -8.745 2.539 1.00 0.00 C ATOM 930 CE2 TYR A 59 60.040 -7.564 4.196 1.00 0.00 C ATOM 931 CZ TYR A 59 58.961 -7.597 3.304 1.00 0.00 C ATOM 932 OH TYR A 59 58.137 -6.498 3.176 1.00 0.00 O ATOM 0 H TYR A 59 61.751 -11.854 6.075 1.00 0.00 H new ATOM 0 HA TYR A 59 59.688 -12.074 4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.378 -10.798 4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 59 61.953 -11.300 2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.367 -10.746 2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.710 -8.655 5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 59 57.889 -8.770 1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.227 -6.679 4.786 1.00 0.00 H new ATOM 0 HH TYR A 59 58.286 -5.888 3.928 1.00 0.00 H new ATOM 942 N ASN A 60 61.646 -14.438 4.502 1.00 0.00 N ATOM 943 CA ASN A 60 62.140 -15.728 4.042 1.00 0.00 C ATOM 944 C ASN A 60 63.472 -15.573 3.318 1.00 0.00 C ATOM 945 O ASN A 60 63.894 -16.462 2.579 1.00 0.00 O ATOM 946 CB ASN A 60 61.118 -16.377 3.106 1.00 0.00 C ATOM 947 CG ASN A 60 60.920 -17.841 3.485 1.00 0.00 C ATOM 948 OD1 ASN A 60 61.827 -18.655 3.316 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.781 -18.226 3.992 1.00 0.00 N ATOM 0 H ASN A 60 61.647 -14.321 5.515 1.00 0.00 H new ATOM 0 HA ASN A 60 62.290 -16.365 4.913 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.168 -15.845 3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.460 -16.303 2.074 1.00 0.00 H new ATOM 0 HD21 ASN A 60 59.641 -19.203 4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 60 59.030 -17.550 4.131 1.00 0.00 H new ATOM 956 N ILE A 61 64.132 -14.440 3.534 1.00 0.00 N ATOM 957 CA ILE A 61 65.418 -14.189 2.894 1.00 0.00 C ATOM 958 C ILE A 61 66.459 -15.182 3.400 1.00 0.00 C ATOM 959 O ILE A 61 66.475 -15.535 4.578 1.00 0.00 O ATOM 960 CB ILE A 61 65.867 -12.752 3.172 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.096 -11.815 2.235 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.371 -12.614 2.904 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.205 -10.370 2.723 1.00 0.00 C ATOM 0 H ILE A 61 63.802 -13.689 4.140 1.00 0.00 H new ATOM 0 HA ILE A 61 65.312 -14.319 1.817 1.00 0.00 H new ATOM 0 HB ILE A 61 65.669 -12.497 4.213 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.492 -11.895 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.049 -12.114 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.684 -11.589 3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.920 -13.294 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.579 -12.860 1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.653 -9.716 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.787 -10.292 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.253 -10.071 2.742 1.00 0.00 H new ATOM 975 N GLN A 62 67.319 -15.640 2.495 1.00 0.00 N ATOM 976 CA GLN A 62 68.350 -16.605 2.856 1.00 0.00 C ATOM 977 C GLN A 62 69.634 -15.899 3.274 1.00 0.00 C ATOM 978 O GLN A 62 69.690 -14.671 3.335 1.00 0.00 O ATOM 979 CB GLN A 62 68.640 -17.531 1.673 1.00 0.00 C ATOM 980 CG GLN A 62 67.349 -18.226 1.238 1.00 0.00 C ATOM 981 CD GLN A 62 67.553 -18.907 -0.110 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.649 -18.863 -0.669 1.00 0.00 O ATOM 983 NE2 GLN A 62 66.557 -19.536 -0.671 1.00 0.00 N ATOM 0 H GLN A 62 67.322 -15.361 1.514 1.00 0.00 H new ATOM 0 HA GLN A 62 67.984 -17.192 3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.054 -16.959 0.843 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.388 -18.273 1.953 1.00 0.00 H new ATOM 0 HG2 GLN A 62 67.053 -18.962 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.540 -17.499 1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 62 65.650 -19.571 -0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 62 66.686 -19.992 -1.574 1.00 0.00 H new ATOM 992 N LYS A 63 70.661 -16.689 3.567 1.00 0.00 N ATOM 993 CA LYS A 63 71.943 -16.142 3.988 1.00 0.00 C ATOM 994 C LYS A 63 72.866 -15.940 2.803 1.00 0.00 C ATOM 995 O LYS A 63 73.967 -15.436 2.962 1.00 0.00 O ATOM 996 CB LYS A 63 72.608 -17.089 4.983 1.00 0.00 C ATOM 997 CG LYS A 63 72.572 -18.516 4.432 1.00 0.00 C ATOM 998 CD LYS A 63 71.384 -19.266 5.035 1.00 0.00 C ATOM 999 CE LYS A 63 71.750 -19.768 6.434 1.00 0.00 C ATOM 1000 NZ LYS A 63 70.557 -19.677 7.323 1.00 0.00 N ATOM 0 H LYS A 63 70.630 -17.707 3.521 1.00 0.00 H new ATOM 0 HA LYS A 63 71.759 -15.176 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.639 -16.782 5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.093 -17.045 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.489 -18.496 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.501 -19.033 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 63 70.516 -18.609 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 63 71.109 -20.106 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 63 72.100 -20.799 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.567 -19.174 6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 70.806 -20.018 8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 70.242 -18.687 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 69.790 -20.262 6.935 1.00 0.00 H new ATOM 1014 N GLU A 64 72.409 -16.338 1.626 1.00 0.00 N ATOM 1015 CA GLU A 64 73.191 -16.200 0.412 1.00 0.00 C ATOM 1016 C GLU A 64 72.390 -15.461 -0.661 1.00 0.00 C ATOM 1017 O GLU A 64 72.907 -15.139 -1.727 1.00 0.00 O ATOM 1018 CB GLU A 64 73.604 -17.579 -0.095 1.00 0.00 C ATOM 1019 CG GLU A 64 75.051 -17.853 0.320 1.00 0.00 C ATOM 1020 CD GLU A 64 75.438 -19.289 -0.015 1.00 0.00 C ATOM 1021 OE1 GLU A 64 76.010 -19.497 -1.073 1.00 0.00 O ATOM 1022 OE2 GLU A 64 75.177 -20.158 0.801 1.00 0.00 O ATOM 0 H GLU A 64 71.492 -16.763 1.488 1.00 0.00 H new ATOM 0 HA GLU A 64 74.085 -15.618 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.944 -18.343 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.509 -17.625 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.720 -17.161 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.168 -17.678 1.389 1.00 0.00 H new ATOM 1029 N SER A 65 71.116 -15.218 -0.368 1.00 0.00 N ATOM 1030 CA SER A 65 70.223 -14.540 -1.308 1.00 0.00 C ATOM 1031 C SER A 65 70.855 -13.279 -1.890 1.00 0.00 C ATOM 1032 O SER A 65 71.825 -12.744 -1.352 1.00 0.00 O ATOM 1033 CB SER A 65 68.922 -14.167 -0.602 1.00 0.00 C ATOM 1034 OG SER A 65 68.078 -15.306 -0.536 1.00 0.00 O ATOM 0 H SER A 65 70.676 -15.480 0.514 1.00 0.00 H new ATOM 0 HA SER A 65 70.027 -15.229 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.133 -13.798 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.422 -13.361 -1.139 1.00 0.00 H new ATOM 0 HG SER A 65 67.141 -15.020 -0.546 1.00 0.00 H new ATOM 1040 N THR A 66 70.276 -12.808 -2.992 1.00 0.00 N ATOM 1041 CA THR A 66 70.752 -11.602 -3.658 1.00 0.00 C ATOM 1042 C THR A 66 69.714 -10.491 -3.511 1.00 0.00 C ATOM 1043 O THR A 66 68.562 -10.651 -3.919 1.00 0.00 O ATOM 1044 CB THR A 66 70.993 -11.885 -5.143 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.669 -13.127 -5.283 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.844 -10.767 -5.748 1.00 0.00 C ATOM 0 H THR A 66 69.473 -13.247 -3.443 1.00 0.00 H new ATOM 0 HA THR A 66 71.689 -11.287 -3.198 1.00 0.00 H new ATOM 0 HB THR A 66 70.036 -11.931 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.823 -13.311 -6.233 1.00 0.00 H new ATOM 0 HG21 THR A 66 72.014 -10.971 -6.805 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.324 -9.815 -5.641 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.801 -10.717 -5.229 1.00 0.00 H new ATOM 1054 N LEU A 67 70.120 -9.375 -2.917 1.00 0.00 N ATOM 1055 CA LEU A 67 69.210 -8.254 -2.708 1.00 0.00 C ATOM 1056 C LEU A 67 69.485 -7.135 -3.706 1.00 0.00 C ATOM 1057 O LEU A 67 70.638 -6.848 -4.031 1.00 0.00 O ATOM 1058 CB LEU A 67 69.369 -7.713 -1.286 1.00 0.00 C ATOM 1059 CG LEU A 67 68.519 -8.545 -0.324 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.154 -8.539 1.068 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.114 -7.946 -0.241 1.00 0.00 C ATOM 0 H LEU A 67 71.068 -9.222 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 67 68.191 -8.612 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.417 -7.750 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 67 69.063 -6.668 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 67 68.462 -9.570 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 67 68.544 -9.133 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.156 -8.965 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 67 69.215 -7.515 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 67 66.506 -8.537 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.177 -6.920 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.656 -7.953 -1.230 1.00 0.00 H new ATOM 1073 N HIS A 68 68.419 -6.500 -4.181 1.00 0.00 N ATOM 1074 CA HIS A 68 68.555 -5.404 -5.132 1.00 0.00 C ATOM 1075 C HIS A 68 68.512 -4.070 -4.395 1.00 0.00 C ATOM 1076 O HIS A 68 67.522 -3.745 -3.738 1.00 0.00 O ATOM 1077 CB HIS A 68 67.428 -5.459 -6.166 1.00 0.00 C ATOM 1078 CG HIS A 68 67.468 -6.782 -6.882 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.764 -7.969 -6.230 1.00 0.00 N ATOM 1080 CD2 HIS A 68 67.246 -7.120 -8.194 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.714 -8.957 -7.142 1.00 0.00 C ATOM 1082 NE2 HIS A 68 67.402 -8.495 -8.355 1.00 0.00 N ATOM 0 H HIS A 68 67.457 -6.724 -3.925 1.00 0.00 H new ATOM 0 HA HIS A 68 69.512 -5.501 -5.645 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.463 -5.328 -5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.536 -4.643 -6.881 1.00 0.00 H new ATOM 0 HD2 HIS A 68 66.990 -6.426 -8.981 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.903 -9.997 -6.920 1.00 0.00 H new ATOM 0 HE2 HIS A 68 67.300 -9.033 -9.215 1.00 0.00 H new ATOM 1090 N LEU A 69 69.592 -3.307 -4.499 1.00 0.00 N ATOM 1091 CA LEU A 69 69.670 -2.015 -3.828 1.00 0.00 C ATOM 1092 C LEU A 69 69.326 -0.883 -4.793 1.00 0.00 C ATOM 1093 O LEU A 69 69.884 -0.795 -5.886 1.00 0.00 O ATOM 1094 CB LEU A 69 71.080 -1.806 -3.270 1.00 0.00 C ATOM 1095 CG LEU A 69 71.115 -0.546 -2.404 1.00 0.00 C ATOM 1096 CD1 LEU A 69 71.372 -0.933 -0.948 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.237 0.376 -2.890 1.00 0.00 C ATOM 0 H LEU A 69 70.421 -3.557 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 69 68.949 -2.006 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.379 -2.672 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.795 -1.716 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 69 70.159 -0.029 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 69 71.397 -0.034 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.575 -1.590 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 69 72.328 -1.451 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 69 72.263 1.274 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 69 73.193 -0.143 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 69 72.056 0.654 -3.928 1.00 0.00 H new ATOM 1109 N VAL A 70 68.404 -0.020 -4.374 1.00 0.00 N ATOM 1110 CA VAL A 70 67.987 1.109 -5.198 1.00 0.00 C ATOM 1111 C VAL A 70 68.073 2.406 -4.401 1.00 0.00 C ATOM 1112 O VAL A 70 67.825 2.419 -3.196 1.00 0.00 O ATOM 1113 CB VAL A 70 66.551 0.900 -5.684 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.306 1.750 -6.932 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.338 -0.576 -6.022 1.00 0.00 C ATOM 0 H VAL A 70 67.933 -0.081 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 70 68.653 1.176 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 70 65.855 1.198 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.283 1.601 -7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.458 2.802 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.002 1.453 -7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.315 -0.726 -6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.034 -0.874 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.512 -1.182 -5.133 1.00 0.00 H new ATOM 1125 N LEU A 71 68.429 3.491 -5.083 1.00 0.00 N ATOM 1126 CA LEU A 71 68.550 4.791 -4.428 1.00 0.00 C ATOM 1127 C LEU A 71 67.428 5.725 -4.870 1.00 0.00 C ATOM 1128 O LEU A 71 67.036 5.735 -6.036 1.00 0.00 O ATOM 1129 CB LEU A 71 69.904 5.419 -4.765 1.00 0.00 C ATOM 1130 CG LEU A 71 71.009 4.380 -4.573 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.370 5.027 -4.838 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.967 3.850 -3.137 1.00 0.00 C ATOM 0 H LEU A 71 68.637 3.497 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 71 68.475 4.642 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.904 5.780 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 71 70.086 6.282 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 71 70.857 3.556 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 71 73.158 4.286 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.401 5.405 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 71 72.523 5.852 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.755 3.109 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 71 71.119 4.674 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.998 3.389 -2.948 1.00 0.00 H new ATOM 1144 N ARG A 72 66.917 6.509 -3.926 1.00 0.00 N ATOM 1145 CA ARG A 72 65.841 7.446 -4.223 1.00 0.00 C ATOM 1146 C ARG A 72 66.407 8.803 -4.627 1.00 0.00 C ATOM 1147 O ARG A 72 67.126 9.440 -3.858 1.00 0.00 O ATOM 1148 CB ARG A 72 64.944 7.610 -2.997 1.00 0.00 C ATOM 1149 CG ARG A 72 63.557 7.043 -3.303 1.00 0.00 C ATOM 1150 CD ARG A 72 62.659 7.219 -2.081 1.00 0.00 C ATOM 1151 NE ARG A 72 61.291 6.821 -2.394 1.00 0.00 N ATOM 1152 CZ ARG A 72 60.263 7.288 -1.694 1.00 0.00 C ATOM 1153 NH1 ARG A 72 59.048 6.916 -1.992 1.00 0.00 N ATOM 1154 NH2 ARG A 72 60.468 8.120 -0.710 1.00 0.00 N ATOM 0 H ARG A 72 67.229 6.514 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 72 65.256 7.049 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 72 65.380 7.093 -2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 72 64.867 8.663 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 72 63.124 7.554 -4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 72 63.633 5.987 -3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 72 63.039 6.620 -1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 72 62.677 8.259 -1.756 1.00 0.00 H new ATOM 0 HE ARG A 72 61.121 6.173 -3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.888 6.267 -2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.259 7.274 -1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 72 61.418 8.412 -0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 72 59.679 8.479 -0.173 1.00 0.00 H new ATOM 1168 N LEU A 73 66.075 9.241 -5.837 1.00 0.00 N ATOM 1169 CA LEU A 73 66.557 10.524 -6.331 1.00 0.00 C ATOM 1170 C LEU A 73 65.806 10.927 -7.596 1.00 0.00 C ATOM 1171 O LEU A 73 66.246 10.643 -8.710 1.00 0.00 O ATOM 1172 CB LEU A 73 68.056 10.440 -6.631 1.00 0.00 C ATOM 1173 CG LEU A 73 68.641 11.851 -6.723 1.00 0.00 C ATOM 1174 CD1 LEU A 73 69.357 12.193 -5.415 1.00 0.00 C ATOM 1175 CD2 LEU A 73 69.640 11.914 -7.880 1.00 0.00 C ATOM 0 H LEU A 73 65.479 8.731 -6.489 1.00 0.00 H new ATOM 0 HA LEU A 73 66.382 11.276 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.563 9.876 -5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 73 68.221 9.905 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 73 67.837 12.566 -6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.774 13.198 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 73 68.647 12.148 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 73 70.161 11.477 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 73 70.057 12.919 -7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 73 70.444 11.198 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 73 69.132 11.670 -8.813 1.00 0.00 H new ATOM 1187 N ARG A 74 64.667 11.590 -7.417 1.00 0.00 N ATOM 1188 CA ARG A 74 63.864 12.027 -8.552 1.00 0.00 C ATOM 1189 C ARG A 74 64.136 13.493 -8.871 1.00 0.00 C ATOM 1190 O ARG A 74 64.508 14.270 -7.991 1.00 0.00 O ATOM 1191 CB ARG A 74 62.376 11.840 -8.241 1.00 0.00 C ATOM 1192 CG ARG A 74 62.088 10.358 -7.991 1.00 0.00 C ATOM 1193 CD ARG A 74 61.643 9.697 -9.297 1.00 0.00 C ATOM 1194 NE ARG A 74 60.243 10.004 -9.566 1.00 0.00 N ATOM 1195 CZ ARG A 74 59.743 9.907 -10.793 1.00 0.00 C ATOM 1196 NH1 ARG A 74 58.486 10.186 -11.009 1.00 0.00 N ATOM 1197 NH2 ARG A 74 60.507 9.534 -11.782 1.00 0.00 N ATOM 0 H ARG A 74 64.283 11.834 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 74 64.135 11.423 -9.418 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.100 12.428 -7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.772 12.204 -9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.980 9.863 -7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.312 10.250 -7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.264 10.048 -10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.780 8.618 -9.232 1.00 0.00 H new ATOM 0 HE ARG A 74 59.638 10.298 -8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 74 57.888 10.478 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.102 10.112 -11.951 1.00 0.00 H new ATOM 0 HH21 ARG A 74 61.489 9.316 -11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.122 9.460 -12.724 1.00 0.00 H new ATOM 1211 N GLY A 75 63.953 13.863 -10.134 1.00 0.00 N ATOM 1212 CA GLY A 75 64.184 15.240 -10.558 1.00 0.00 C ATOM 1213 C GLY A 75 63.909 15.402 -12.049 1.00 0.00 C ATOM 1214 O GLY A 75 63.200 16.320 -12.463 1.00 0.00 O ATOM 0 H GLY A 75 63.648 13.235 -10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 75 63.541 15.913 -9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 75 65.214 15.524 -10.341 1.00 0.00 H new ATOM 1218 N GLY A 76 64.475 14.506 -12.852 1.00 0.00 N ATOM 1219 CA GLY A 76 64.283 14.561 -14.296 1.00 0.00 C ATOM 1220 C GLY A 76 64.375 15.996 -14.803 1.00 0.00 C ATOM 1221 O GLY A 76 65.078 16.777 -14.185 1.00 0.00 O ATOM 1222 OXT GLY A 76 63.744 16.291 -15.803 1.00 0.00 O ATOM 0 H GLY A 76 65.066 13.739 -12.530 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.036 13.947 -14.791 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.310 14.142 -14.554 1.00 0.00 H new TER 1226 GLY A 76