USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 624 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= -1.78! K(o=-4.2!,f=0.3) USER MOD Set 1.2: A 62 GLN : amide:sc= -2.42! K(o=-4.2!,f=-0.32) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.94 K(o=-0.94,f=0.45) USER MOD Set 3.1: A 7 THR OG1 : rot 141:sc= 1.5 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.12 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0228) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.88 (180deg=1.53) USER MOD Single : A 2 GLN : amide:sc= 0.316 X(o=0.32,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0179) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 2.4 (180deg=2.27) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 1.1 (180deg=1.06) USER MOD Single : A 31 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 1.89 (180deg=0.925) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 41 ASN : amide:sc= -0.924 K(o=-0.92,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.38) USER MOD Single : A 55 THR OG1 : rot -75:sc= 1.48 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 166:sc= 0.177 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -92:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0276 K(o=-0.028,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.432 -2.212 4.072 1.00 0.00 N ATOM 2 CA MET A 1 -13.146 -2.685 2.704 1.00 0.00 C ATOM 3 C MET A 1 -11.898 -3.554 2.717 1.00 0.00 C ATOM 4 O MET A 1 -11.152 -3.556 3.692 1.00 0.00 O ATOM 5 CB MET A 1 -12.848 -1.522 1.735 1.00 0.00 C ATOM 6 CG MET A 1 -14.029 -0.661 1.306 1.00 0.00 C ATOM 7 SD MET A 1 -14.858 0.267 2.611 1.00 0.00 S ATOM 8 CE MET A 1 -15.976 1.286 1.616 1.00 0.00 C ATOM 0 H1 MET A 1 -14.102 -1.418 4.032 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.847 -2.987 4.628 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.549 -1.897 4.522 1.00 0.00 H new ATOM 0 HA MET A 1 -14.031 -3.228 2.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.107 -0.873 2.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.388 -1.937 0.838 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.681 0.045 0.552 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.765 -1.305 0.824 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.529 1.962 2.268 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.397 1.867 0.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.676 0.643 1.082 1.00 0.00 H new ATOM 18 N GLN A 2 -11.631 -4.280 1.631 1.00 0.00 N ATOM 19 CA GLN A 2 -10.436 -5.097 1.493 1.00 0.00 C ATOM 20 C GLN A 2 -9.836 -4.768 0.134 1.00 0.00 C ATOM 21 O GLN A 2 -10.575 -4.400 -0.785 1.00 0.00 O ATOM 22 CB GLN A 2 -10.697 -6.604 1.664 1.00 0.00 C ATOM 23 CG GLN A 2 -11.340 -7.304 0.458 1.00 0.00 C ATOM 24 CD GLN A 2 -11.368 -8.815 0.665 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.919 -9.312 1.643 1.00 0.00 O ATOM 26 NE2 GLN A 2 -10.773 -9.577 -0.236 1.00 0.00 N ATOM 0 H GLN A 2 -12.246 -4.314 0.818 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.738 -4.862 2.296 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.750 -7.096 1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.341 -6.747 2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.355 -6.933 0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.782 -7.066 -0.447 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.319 -9.151 -1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.768 -10.591 -0.123 1.00 0.00 H new ATOM 35 N ILE A 3 -8.519 -4.881 0.005 1.00 0.00 N ATOM 36 CA ILE A 3 -7.786 -4.635 -1.232 1.00 0.00 C ATOM 37 C ILE A 3 -6.667 -5.674 -1.305 1.00 0.00 C ATOM 38 O ILE A 3 -6.300 -6.274 -0.287 1.00 0.00 O ATOM 39 CB ILE A 3 -7.293 -3.170 -1.385 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.985 -2.810 -0.650 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.387 -2.131 -1.058 1.00 0.00 C ATOM 42 CD1 ILE A 3 -6.024 -3.006 0.861 1.00 0.00 C ATOM 0 H ILE A 3 -7.914 -5.154 0.780 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.452 -4.751 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.052 -3.120 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.177 -3.415 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.742 -1.769 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.983 -1.126 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.233 -2.269 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.719 -2.264 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.061 -2.727 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.806 -2.379 1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.232 -4.052 1.087 1.00 0.00 H new ATOM 54 N PHE A 4 -6.131 -5.891 -2.499 1.00 0.00 N ATOM 55 CA PHE A 4 -5.065 -6.844 -2.753 1.00 0.00 C ATOM 56 C PHE A 4 -3.774 -6.073 -2.962 1.00 0.00 C ATOM 57 O PHE A 4 -3.799 -4.923 -3.405 1.00 0.00 O ATOM 58 CB PHE A 4 -5.435 -7.699 -3.971 1.00 0.00 C ATOM 59 CG PHE A 4 -6.826 -8.291 -3.859 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.139 -9.120 -2.767 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.828 -7.951 -4.788 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.445 -9.600 -2.593 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.135 -8.442 -4.621 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.447 -9.256 -3.518 1.00 0.00 C ATOM 0 H PHE A 4 -6.435 -5.395 -3.337 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.926 -7.520 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.374 -7.089 -4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.708 -8.504 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.369 -9.388 -2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.593 -7.314 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.681 -10.233 -1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.900 -8.193 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.456 -9.617 -3.381 1.00 0.00 H new ATOM 74 N VAL A 5 -2.645 -6.710 -2.679 1.00 0.00 N ATOM 75 CA VAL A 5 -1.327 -6.124 -2.809 1.00 0.00 C ATOM 76 C VAL A 5 -0.372 -7.178 -3.369 1.00 0.00 C ATOM 77 O VAL A 5 -0.160 -8.214 -2.736 1.00 0.00 O ATOM 78 CB VAL A 5 -0.843 -5.589 -1.444 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.388 -4.707 -1.662 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.890 -4.758 -0.681 1.00 0.00 C ATOM 0 H VAL A 5 -2.626 -7.673 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.359 -5.278 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.627 -6.469 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.736 -4.325 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.179 -5.295 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.127 -3.872 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.468 -4.422 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.174 -3.892 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.771 -5.371 -0.488 1.00 0.00 H new ATOM 90 N LYS A 6 0.148 -6.944 -4.574 1.00 0.00 N ATOM 91 CA LYS A 6 1.100 -7.825 -5.231 1.00 0.00 C ATOM 92 C LYS A 6 2.470 -7.486 -4.637 1.00 0.00 C ATOM 93 O LYS A 6 2.822 -6.305 -4.576 1.00 0.00 O ATOM 94 CB LYS A 6 1.069 -7.587 -6.747 1.00 0.00 C ATOM 95 CG LYS A 6 1.823 -8.682 -7.517 1.00 0.00 C ATOM 96 CD LYS A 6 0.970 -9.920 -7.836 1.00 0.00 C ATOM 97 CE LYS A 6 -0.031 -9.673 -8.974 1.00 0.00 C ATOM 98 NZ LYS A 6 0.610 -9.541 -10.300 1.00 0.00 N ATOM 0 H LYS A 6 -0.088 -6.120 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 6 0.865 -8.877 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.034 -7.552 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.511 -6.616 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.200 -8.262 -8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.690 -8.991 -6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.625 -10.748 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.428 -10.223 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.746 -10.495 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.597 -8.766 -8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.123 -9.495 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.181 -8.672 -10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.223 -10.363 -10.473 1.00 0.00 H new ATOM 112 N THR A 7 3.227 -8.477 -4.181 1.00 0.00 N ATOM 113 CA THR A 7 4.543 -8.283 -3.585 1.00 0.00 C ATOM 114 C THR A 7 5.651 -8.289 -4.643 1.00 0.00 C ATOM 115 O THR A 7 5.440 -8.666 -5.802 1.00 0.00 O ATOM 116 CB THR A 7 4.796 -9.396 -2.554 1.00 0.00 C ATOM 117 OG1 THR A 7 4.876 -10.622 -3.233 1.00 0.00 O ATOM 118 CG2 THR A 7 3.713 -9.522 -1.476 1.00 0.00 C ATOM 0 H THR A 7 2.938 -9.455 -4.216 1.00 0.00 H new ATOM 0 HA THR A 7 4.560 -7.308 -3.099 1.00 0.00 H new ATOM 0 HB THR A 7 5.721 -9.132 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.579 -11.174 -2.830 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.972 -10.330 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.641 -8.587 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.754 -9.739 -1.947 1.00 0.00 H new ATOM 126 N LEU A 8 6.869 -7.937 -4.220 1.00 0.00 N ATOM 127 CA LEU A 8 8.068 -7.930 -5.056 1.00 0.00 C ATOM 128 C LEU A 8 8.459 -9.371 -5.405 1.00 0.00 C ATOM 129 O LEU A 8 9.195 -9.594 -6.367 1.00 0.00 O ATOM 130 CB LEU A 8 9.239 -7.279 -4.299 1.00 0.00 C ATOM 131 CG LEU A 8 9.202 -5.742 -4.302 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.295 -5.203 -3.378 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.437 -5.192 -5.715 1.00 0.00 C ATOM 0 H LEU A 8 7.050 -7.642 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 8 7.856 -7.364 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.233 -7.631 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.177 -7.611 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 8 8.219 -5.424 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.269 -4.113 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.127 -5.568 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.269 -5.543 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.406 -4.103 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.412 -5.520 -6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.660 -5.562 -6.384 1.00 0.00 H new ATOM 145 N THR A 9 7.985 -10.342 -4.620 1.00 0.00 N ATOM 146 CA THR A 9 8.217 -11.771 -4.785 1.00 0.00 C ATOM 147 C THR A 9 7.181 -12.383 -5.753 1.00 0.00 C ATOM 148 O THR A 9 7.223 -13.579 -6.035 1.00 0.00 O ATOM 149 CB THR A 9 8.210 -12.427 -3.387 1.00 0.00 C ATOM 150 OG1 THR A 9 7.081 -12.019 -2.632 1.00 0.00 O ATOM 151 CG2 THR A 9 9.448 -12.017 -2.582 1.00 0.00 C ATOM 0 H THR A 9 7.399 -10.137 -3.811 1.00 0.00 H new ATOM 0 HA THR A 9 9.189 -11.957 -5.241 1.00 0.00 H new ATOM 0 HB THR A 9 8.192 -13.504 -3.554 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.102 -12.451 -1.753 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.418 -12.493 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.347 -12.332 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.460 -10.934 -2.460 1.00 0.00 H new ATOM 159 N GLY A 10 6.245 -11.573 -6.266 1.00 0.00 N ATOM 160 CA GLY A 10 5.197 -11.970 -7.203 1.00 0.00 C ATOM 161 C GLY A 10 3.998 -12.600 -6.502 1.00 0.00 C ATOM 162 O GLY A 10 3.138 -13.200 -7.146 1.00 0.00 O ATOM 0 H GLY A 10 6.200 -10.583 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.867 -11.097 -7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.607 -12.678 -7.923 1.00 0.00 H new ATOM 166 N LYS A 11 3.976 -12.553 -5.175 1.00 0.00 N ATOM 167 CA LYS A 11 2.937 -13.087 -4.314 1.00 0.00 C ATOM 168 C LYS A 11 1.801 -12.077 -4.215 1.00 0.00 C ATOM 169 O LYS A 11 1.933 -10.950 -4.691 1.00 0.00 O ATOM 170 CB LYS A 11 3.554 -13.316 -2.924 1.00 0.00 C ATOM 171 CG LYS A 11 2.971 -14.544 -2.217 1.00 0.00 C ATOM 172 CD LYS A 11 3.433 -14.638 -0.762 1.00 0.00 C ATOM 173 CE LYS A 11 2.696 -13.630 0.131 1.00 0.00 C ATOM 174 NZ LYS A 11 3.209 -13.713 1.514 1.00 0.00 N ATOM 0 H LYS A 11 4.729 -12.115 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 11 2.543 -14.022 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.633 -13.437 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.388 -12.433 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.882 -14.499 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.269 -15.446 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.262 -15.648 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.506 -14.456 -0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.832 -12.620 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.625 -13.835 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.705 -13.028 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.057 -14.673 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.226 -13.497 1.521 1.00 0.00 H new ATOM 188 N THR A 12 0.699 -12.446 -3.569 1.00 0.00 N ATOM 189 CA THR A 12 -0.427 -11.547 -3.373 1.00 0.00 C ATOM 190 C THR A 12 -0.876 -11.691 -1.920 1.00 0.00 C ATOM 191 O THR A 12 -0.934 -12.804 -1.387 1.00 0.00 O ATOM 192 CB THR A 12 -1.559 -11.800 -4.386 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.098 -11.987 -5.713 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.498 -10.590 -4.466 1.00 0.00 C ATOM 0 H THR A 12 0.564 -13.374 -3.169 1.00 0.00 H new ATOM 0 HA THR A 12 -0.127 -10.516 -3.560 1.00 0.00 H new ATOM 0 HB THR A 12 -2.051 -12.702 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.862 -12.144 -6.306 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.290 -10.791 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.938 -10.406 -3.486 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.934 -9.712 -4.781 1.00 0.00 H new ATOM 202 N ILE A 13 -1.145 -10.564 -1.263 1.00 0.00 N ATOM 203 CA ILE A 13 -1.591 -10.459 0.122 1.00 0.00 C ATOM 204 C ILE A 13 -2.844 -9.573 0.104 1.00 0.00 C ATOM 205 O ILE A 13 -2.985 -8.722 -0.775 1.00 0.00 O ATOM 206 CB ILE A 13 -0.442 -9.865 0.987 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.831 -10.747 0.906 1.00 0.00 C ATOM 208 CG2 ILE A 13 -0.866 -9.686 2.458 1.00 0.00 C ATOM 209 CD1 ILE A 13 2.054 -10.200 1.655 1.00 0.00 C ATOM 0 H ILE A 13 -1.052 -9.651 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.839 -11.424 0.563 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.215 -8.880 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.595 -11.735 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.096 -10.879 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.036 -9.269 3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.719 -9.009 2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.144 -10.653 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.891 -10.889 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.325 -9.226 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.816 -10.096 2.714 1.00 0.00 H new ATOM 221 N THR A 14 -3.756 -9.768 1.054 1.00 0.00 N ATOM 222 CA THR A 14 -4.986 -9.000 1.194 1.00 0.00 C ATOM 223 C THR A 14 -4.890 -8.218 2.504 1.00 0.00 C ATOM 224 O THR A 14 -4.296 -8.705 3.470 1.00 0.00 O ATOM 225 CB THR A 14 -6.191 -9.954 1.246 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.202 -10.873 0.169 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.539 -9.225 1.215 1.00 0.00 C ATOM 0 H THR A 14 -3.654 -10.488 1.769 1.00 0.00 H new ATOM 0 HA THR A 14 -5.117 -8.324 0.349 1.00 0.00 H new ATOM 0 HB THR A 14 -6.070 -10.475 2.196 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.984 -11.458 0.246 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.348 -9.954 1.254 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.611 -8.557 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.618 -8.645 0.296 1.00 0.00 H new ATOM 235 N LEU A 15 -5.446 -7.006 2.544 1.00 0.00 N ATOM 236 CA LEU A 15 -5.467 -6.152 3.729 1.00 0.00 C ATOM 237 C LEU A 15 -6.881 -5.609 3.860 1.00 0.00 C ATOM 238 O LEU A 15 -7.573 -5.453 2.852 1.00 0.00 O ATOM 239 CB LEU A 15 -4.529 -4.933 3.637 1.00 0.00 C ATOM 240 CG LEU A 15 -3.146 -5.123 3.005 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.510 -3.740 2.826 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.243 -5.971 3.892 1.00 0.00 C ATOM 0 H LEU A 15 -5.903 -6.584 1.736 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.137 -6.758 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.047 -4.157 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.383 -4.550 4.647 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.260 -5.634 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.523 -3.849 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.139 -3.132 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.415 -3.255 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.270 -6.087 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.118 -5.481 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.694 -6.952 4.038 1.00 0.00 H new ATOM 254 N GLU A 16 -7.271 -5.271 5.082 1.00 0.00 N ATOM 255 CA GLU A 16 -8.573 -4.707 5.409 1.00 0.00 C ATOM 256 C GLU A 16 -8.315 -3.229 5.693 1.00 0.00 C ATOM 257 O GLU A 16 -7.464 -2.924 6.527 1.00 0.00 O ATOM 258 CB GLU A 16 -9.159 -5.448 6.610 1.00 0.00 C ATOM 259 CG GLU A 16 -10.538 -4.888 6.960 1.00 0.00 C ATOM 260 CD GLU A 16 -11.182 -5.710 8.066 1.00 0.00 C ATOM 261 OE1 GLU A 16 -11.766 -6.781 7.772 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.156 -5.255 9.233 1.00 0.00 O ATOM 0 H GLU A 16 -6.670 -5.386 5.898 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.303 -4.810 4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.237 -6.512 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.492 -5.351 7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.445 -3.849 7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.175 -4.895 6.076 1.00 0.00 H new ATOM 269 N VAL A 17 -8.981 -2.314 4.993 1.00 0.00 N ATOM 270 CA VAL A 17 -8.822 -0.865 5.118 1.00 0.00 C ATOM 271 C VAL A 17 -10.166 -0.158 4.978 1.00 0.00 C ATOM 272 O VAL A 17 -11.122 -0.761 4.493 1.00 0.00 O ATOM 273 CB VAL A 17 -7.894 -0.372 3.979 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.491 -0.995 4.036 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.501 -0.617 2.575 1.00 0.00 C ATOM 0 H VAL A 17 -9.676 -2.572 4.293 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.402 -0.641 6.098 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.800 0.702 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.889 -0.611 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.017 -0.738 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.571 -2.079 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.812 -0.254 1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.670 -1.684 2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.449 -0.085 2.491 1.00 0.00 H new ATOM 285 N GLU A 18 -10.230 1.127 5.318 1.00 0.00 N ATOM 286 CA GLU A 18 -11.431 1.946 5.200 1.00 0.00 C ATOM 287 C GLU A 18 -11.096 3.159 4.325 1.00 0.00 C ATOM 288 O GLU A 18 -9.921 3.491 4.165 1.00 0.00 O ATOM 289 CB GLU A 18 -11.981 2.373 6.568 1.00 0.00 C ATOM 290 CG GLU A 18 -12.554 1.225 7.417 1.00 0.00 C ATOM 291 CD GLU A 18 -13.857 0.618 6.875 1.00 0.00 C ATOM 292 OE1 GLU A 18 -14.886 0.641 7.591 1.00 0.00 O ATOM 293 OE2 GLU A 18 -13.883 0.046 5.763 1.00 0.00 O ATOM 0 H GLU A 18 -9.430 1.638 5.691 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.223 1.358 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.183 2.859 7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.762 3.118 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.805 0.437 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.732 1.592 8.428 1.00 0.00 H new ATOM 300 N PRO A 19 -12.094 3.856 3.760 1.00 0.00 N ATOM 301 CA PRO A 19 -11.858 5.013 2.902 1.00 0.00 C ATOM 302 C PRO A 19 -11.057 6.133 3.581 1.00 0.00 C ATOM 303 O PRO A 19 -10.181 6.744 2.965 1.00 0.00 O ATOM 304 CB PRO A 19 -13.247 5.487 2.470 1.00 0.00 C ATOM 305 CG PRO A 19 -14.140 4.265 2.676 1.00 0.00 C ATOM 306 CD PRO A 19 -13.516 3.570 3.868 1.00 0.00 C ATOM 0 HA PRO A 19 -11.235 4.733 2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.584 6.332 3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.251 5.813 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.173 4.551 2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.150 3.622 1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.926 3.947 4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.707 2.497 3.845 1.00 0.00 H new ATOM 314 N SER A 20 -11.355 6.410 4.850 1.00 0.00 N ATOM 315 CA SER A 20 -10.681 7.450 5.615 1.00 0.00 C ATOM 316 C SER A 20 -9.357 6.987 6.221 1.00 0.00 C ATOM 317 O SER A 20 -8.652 7.808 6.807 1.00 0.00 O ATOM 318 CB SER A 20 -11.607 7.949 6.720 1.00 0.00 C ATOM 319 OG SER A 20 -12.803 8.453 6.149 1.00 0.00 O ATOM 0 H SER A 20 -12.075 5.915 5.376 1.00 0.00 H new ATOM 0 HA SER A 20 -10.444 8.255 4.920 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.836 7.137 7.410 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.112 8.729 7.298 1.00 0.00 H new ATOM 0 HG SER A 20 -13.397 8.771 6.861 1.00 0.00 H new ATOM 325 N ASP A 21 -9.021 5.699 6.144 1.00 0.00 N ATOM 326 CA ASP A 21 -7.760 5.208 6.694 1.00 0.00 C ATOM 327 C ASP A 21 -6.632 5.845 5.888 1.00 0.00 C ATOM 328 O ASP A 21 -6.680 5.898 4.654 1.00 0.00 O ATOM 329 CB ASP A 21 -7.629 3.674 6.656 1.00 0.00 C ATOM 330 CG ASP A 21 -8.330 2.931 7.796 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.429 1.688 7.696 1.00 0.00 O ATOM 332 OD2 ASP A 21 -8.745 3.555 8.805 1.00 0.00 O ATOM 0 H ASP A 21 -9.601 4.982 5.709 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.716 5.483 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.031 3.315 5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.570 3.415 6.672 1.00 0.00 H new ATOM 337 N THR A 22 -5.632 6.382 6.582 1.00 0.00 N ATOM 338 CA THR A 22 -4.504 7.001 5.905 1.00 0.00 C ATOM 339 C THR A 22 -3.558 5.924 5.412 1.00 0.00 C ATOM 340 O THR A 22 -3.560 4.816 5.957 1.00 0.00 O ATOM 341 CB THR A 22 -3.793 8.019 6.805 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.435 7.488 8.068 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.697 9.220 7.024 1.00 0.00 C ATOM 0 H THR A 22 -5.582 6.400 7.601 1.00 0.00 H new ATOM 0 HA THR A 22 -4.873 7.560 5.045 1.00 0.00 H new ATOM 0 HB THR A 22 -2.874 8.302 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.985 8.179 8.598 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.192 9.944 7.664 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.927 9.682 6.064 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.622 8.897 7.502 1.00 0.00 H new ATOM 351 N ILE A 23 -2.689 6.269 4.458 1.00 0.00 N ATOM 352 CA ILE A 23 -1.708 5.338 3.903 1.00 0.00 C ATOM 353 C ILE A 23 -0.819 4.764 5.023 1.00 0.00 C ATOM 354 O ILE A 23 -0.227 3.705 4.841 1.00 0.00 O ATOM 355 CB ILE A 23 -0.941 6.007 2.743 1.00 0.00 C ATOM 356 CG1 ILE A 23 -1.877 6.481 1.604 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.154 5.100 2.158 1.00 0.00 C ATOM 358 CD1 ILE A 23 -2.893 5.455 1.087 1.00 0.00 C ATOM 0 H ILE A 23 -2.647 7.203 4.050 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.207 4.474 3.464 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.466 6.882 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.423 7.357 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.259 6.803 0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.662 5.620 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.875 4.852 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.298 4.184 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.490 5.903 0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.365 4.585 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.547 5.148 1.903 1.00 0.00 H new ATOM 370 N GLU A 24 -0.731 5.426 6.183 1.00 0.00 N ATOM 371 CA GLU A 24 0.036 4.957 7.331 1.00 0.00 C ATOM 372 C GLU A 24 -0.526 3.585 7.715 1.00 0.00 C ATOM 373 O GLU A 24 0.222 2.624 7.849 1.00 0.00 O ATOM 374 CB GLU A 24 -0.128 5.910 8.525 1.00 0.00 C ATOM 375 CG GLU A 24 0.205 7.378 8.255 1.00 0.00 C ATOM 376 CD GLU A 24 1.698 7.698 8.173 1.00 0.00 C ATOM 377 OE1 GLU A 24 2.530 6.855 7.781 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.040 8.864 8.478 1.00 0.00 O ATOM 0 H GLU A 24 -1.200 6.317 6.347 1.00 0.00 H new ATOM 0 HA GLU A 24 1.095 4.908 7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.158 5.849 8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.507 5.557 9.338 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.267 7.676 7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.239 7.986 9.043 1.00 0.00 H new ATOM 385 N ASN A 25 -1.861 3.494 7.807 1.00 0.00 N ATOM 386 CA ASN A 25 -2.587 2.269 8.156 1.00 0.00 C ATOM 387 C ASN A 25 -2.262 1.171 7.169 1.00 0.00 C ATOM 388 O ASN A 25 -1.976 0.043 7.538 1.00 0.00 O ATOM 389 CB ASN A 25 -4.118 2.427 8.086 1.00 0.00 C ATOM 390 CG ASN A 25 -4.597 3.403 9.115 1.00 0.00 C ATOM 391 OD1 ASN A 25 -5.130 3.040 10.158 1.00 0.00 O ATOM 392 ND2 ASN A 25 -4.358 4.664 8.843 1.00 0.00 N ATOM 0 H ASN A 25 -2.477 4.289 7.637 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.278 2.038 9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.408 2.767 7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.596 1.460 8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.618 5.388 9.512 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.912 4.920 7.962 1.00 0.00 H new ATOM 399 N VAL A 26 -2.367 1.500 5.888 1.00 0.00 N ATOM 400 CA VAL A 26 -2.129 0.592 4.784 1.00 0.00 C ATOM 401 C VAL A 26 -0.700 0.044 4.879 1.00 0.00 C ATOM 402 O VAL A 26 -0.511 -1.168 4.809 1.00 0.00 O ATOM 403 CB VAL A 26 -2.492 1.304 3.466 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.630 0.271 2.337 1.00 0.00 C ATOM 405 CG2 VAL A 26 -3.818 2.091 3.591 1.00 0.00 C ATOM 0 H VAL A 26 -2.629 2.438 5.584 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.770 -0.289 4.822 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.691 2.008 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.887 0.780 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.686 -0.259 2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.415 -0.441 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.042 2.580 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.626 1.405 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.722 2.844 4.373 1.00 0.00 H new ATOM 415 N LYS A 27 0.292 0.923 5.058 1.00 0.00 N ATOM 416 CA LYS A 27 1.712 0.605 5.204 1.00 0.00 C ATOM 417 C LYS A 27 1.883 -0.316 6.423 1.00 0.00 C ATOM 418 O LYS A 27 2.527 -1.357 6.324 1.00 0.00 O ATOM 419 CB LYS A 27 2.466 1.946 5.303 1.00 0.00 C ATOM 420 CG LYS A 27 3.930 1.858 5.751 1.00 0.00 C ATOM 421 CD LYS A 27 4.658 3.215 5.716 1.00 0.00 C ATOM 422 CE LYS A 27 3.894 4.256 6.544 1.00 0.00 C ATOM 423 NZ LYS A 27 4.660 5.486 6.824 1.00 0.00 N ATOM 0 H LYS A 27 0.114 1.926 5.107 1.00 0.00 H new ATOM 0 HA LYS A 27 2.127 0.059 4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.433 2.432 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.931 2.591 6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.970 1.458 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.458 1.153 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.669 3.102 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.751 3.558 4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.979 4.524 6.016 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.596 3.804 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.117 6.094 7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.568 5.237 7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.835 5.996 5.935 1.00 0.00 H new ATOM 437 N ALA A 28 1.272 0.033 7.555 1.00 0.00 N ATOM 438 CA ALA A 28 1.319 -0.730 8.792 1.00 0.00 C ATOM 439 C ALA A 28 0.750 -2.139 8.594 1.00 0.00 C ATOM 440 O ALA A 28 1.364 -3.125 9.009 1.00 0.00 O ATOM 441 CB ALA A 28 0.538 0.033 9.870 1.00 0.00 C ATOM 0 H ALA A 28 0.714 0.883 7.634 1.00 0.00 H new ATOM 0 HA ALA A 28 2.356 -0.846 9.107 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.565 -0.528 10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.990 1.013 10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.497 0.157 9.551 1.00 0.00 H new ATOM 447 N LYS A 29 -0.412 -2.245 7.946 1.00 0.00 N ATOM 448 CA LYS A 29 -1.099 -3.503 7.679 1.00 0.00 C ATOM 449 C LYS A 29 -0.293 -4.391 6.745 1.00 0.00 C ATOM 450 O LYS A 29 -0.345 -5.606 6.936 1.00 0.00 O ATOM 451 CB LYS A 29 -2.483 -3.230 7.079 1.00 0.00 C ATOM 452 CG LYS A 29 -3.475 -2.643 8.095 1.00 0.00 C ATOM 453 CD LYS A 29 -4.580 -1.905 7.334 1.00 0.00 C ATOM 454 CE LYS A 29 -5.604 -1.230 8.251 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.464 -2.190 8.970 1.00 0.00 N ATOM 0 H LYS A 29 -0.912 -1.433 7.584 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.213 -4.029 8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.380 -2.541 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.889 -4.159 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.903 -3.437 8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.962 -1.960 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.127 -1.151 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.096 -2.611 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.078 -0.609 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.231 -0.565 7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.076 -1.677 9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.053 -2.708 8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.870 -2.863 9.495 1.00 0.00 H new ATOM 469 N ILE A 30 0.384 -3.857 5.723 1.00 0.00 N ATOM 470 CA ILE A 30 1.167 -4.721 4.843 1.00 0.00 C ATOM 471 C ILE A 30 2.433 -5.162 5.577 1.00 0.00 C ATOM 472 O ILE A 30 2.791 -6.333 5.486 1.00 0.00 O ATOM 473 CB ILE A 30 1.417 -4.100 3.454 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.120 -5.075 2.490 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.198 -2.787 3.499 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.314 -6.339 2.162 1.00 0.00 C ATOM 0 H ILE A 30 0.405 -2.864 5.492 1.00 0.00 H new ATOM 0 HA ILE A 30 0.590 -5.617 4.612 1.00 0.00 H new ATOM 0 HB ILE A 30 0.418 -3.881 3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.342 -4.550 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.075 -5.371 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.335 -2.410 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.645 -2.054 4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.172 -2.959 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.885 -6.967 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.114 -6.891 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.370 -6.058 1.695 1.00 0.00 H new ATOM 488 N GLN A 31 3.076 -4.279 6.351 1.00 0.00 N ATOM 489 CA GLN A 31 4.279 -4.610 7.111 1.00 0.00 C ATOM 490 C GLN A 31 3.986 -5.808 8.014 1.00 0.00 C ATOM 491 O GLN A 31 4.772 -6.750 8.072 1.00 0.00 O ATOM 492 CB GLN A 31 4.726 -3.406 7.948 1.00 0.00 C ATOM 493 CG GLN A 31 5.628 -2.464 7.154 1.00 0.00 C ATOM 494 CD GLN A 31 6.054 -1.279 8.012 1.00 0.00 C ATOM 495 OE1 GLN A 31 6.405 -1.411 9.181 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.950 -0.074 7.486 1.00 0.00 N ATOM 0 H GLN A 31 2.772 -3.312 6.465 1.00 0.00 H new ATOM 0 HA GLN A 31 5.086 -4.864 6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.849 -2.861 8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.257 -3.756 8.833 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.509 -3.003 6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.101 -2.108 6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.658 0.035 6.515 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.161 0.749 8.051 1.00 0.00 H new ATOM 505 N ASP A 32 2.808 -5.812 8.635 1.00 0.00 N ATOM 506 CA ASP A 32 2.287 -6.843 9.530 1.00 0.00 C ATOM 507 C ASP A 32 2.097 -8.217 8.855 1.00 0.00 C ATOM 508 O ASP A 32 1.757 -9.204 9.510 1.00 0.00 O ATOM 509 CB ASP A 32 0.977 -6.284 10.104 1.00 0.00 C ATOM 510 CG ASP A 32 0.144 -7.274 10.902 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.935 -7.662 10.384 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.514 -7.548 12.064 1.00 0.00 O ATOM 0 H ASP A 32 2.148 -5.043 8.518 1.00 0.00 H new ATOM 0 HA ASP A 32 3.010 -7.052 10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.213 -5.434 10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.371 -5.905 9.281 1.00 0.00 H new ATOM 517 N LYS A 33 2.319 -8.314 7.542 1.00 0.00 N ATOM 518 CA LYS A 33 2.188 -9.529 6.734 1.00 0.00 C ATOM 519 C LYS A 33 3.361 -9.689 5.770 1.00 0.00 C ATOM 520 O LYS A 33 3.351 -10.647 4.998 1.00 0.00 O ATOM 521 CB LYS A 33 0.899 -9.432 5.900 1.00 0.00 C ATOM 522 CG LYS A 33 -0.365 -9.337 6.756 1.00 0.00 C ATOM 523 CD LYS A 33 -1.500 -8.691 5.968 1.00 0.00 C ATOM 524 CE LYS A 33 -2.660 -8.322 6.888 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.277 -7.351 7.936 1.00 0.00 N ATOM 0 H LYS A 33 2.609 -7.509 6.987 1.00 0.00 H new ATOM 0 HA LYS A 33 2.166 -10.384 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.958 -8.558 5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.827 -10.305 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.664 -10.332 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.160 -8.753 7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.134 -7.798 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.847 -9.376 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.471 -7.904 6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.044 -9.226 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.119 -6.824 8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.869 -7.858 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.574 -6.687 7.554 1.00 0.00 H new ATOM 539 N GLU A 34 4.348 -8.791 5.795 1.00 0.00 N ATOM 540 CA GLU A 34 5.499 -8.820 4.904 1.00 0.00 C ATOM 541 C GLU A 34 6.817 -8.834 5.673 1.00 0.00 C ATOM 542 O GLU A 34 7.775 -9.458 5.219 1.00 0.00 O ATOM 543 CB GLU A 34 5.394 -7.619 3.938 1.00 0.00 C ATOM 544 CG GLU A 34 6.368 -7.621 2.748 1.00 0.00 C ATOM 545 CD GLU A 34 6.098 -8.710 1.700 1.00 0.00 C ATOM 546 OE1 GLU A 34 6.172 -8.420 0.486 1.00 0.00 O ATOM 547 OE2 GLU A 34 5.892 -9.887 2.069 1.00 0.00 O ATOM 0 H GLU A 34 4.365 -8.009 6.450 1.00 0.00 H new ATOM 0 HA GLU A 34 5.493 -9.745 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.377 -7.580 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.552 -6.704 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.326 -6.647 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.383 -7.744 3.127 1.00 0.00 H new ATOM 554 N GLY A 35 6.880 -8.181 6.838 1.00 0.00 N ATOM 555 CA GLY A 35 8.077 -8.117 7.661 1.00 0.00 C ATOM 556 C GLY A 35 9.161 -7.286 6.985 1.00 0.00 C ATOM 557 O GLY A 35 10.168 -7.837 6.538 1.00 0.00 O ATOM 0 H GLY A 35 6.087 -7.678 7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.833 -7.683 8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.449 -9.125 7.847 1.00 0.00 H new ATOM 561 N ILE A 36 8.925 -5.983 6.835 1.00 0.00 N ATOM 562 CA ILE A 36 9.849 -5.024 6.232 1.00 0.00 C ATOM 563 C ILE A 36 9.748 -3.709 7.018 1.00 0.00 C ATOM 564 O ILE A 36 8.726 -3.501 7.681 1.00 0.00 O ATOM 565 CB ILE A 36 9.591 -4.823 4.713 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.164 -4.365 4.325 1.00 0.00 C ATOM 567 CG2 ILE A 36 9.922 -6.102 3.937 1.00 0.00 C ATOM 568 CD1 ILE A 36 7.999 -2.845 4.380 1.00 0.00 C ATOM 0 H ILE A 36 8.053 -5.551 7.141 1.00 0.00 H new ATOM 0 HA ILE A 36 10.866 -5.412 6.295 1.00 0.00 H new ATOM 0 HB ILE A 36 10.254 -4.002 4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.935 -4.715 3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.442 -4.830 4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.735 -5.942 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.971 -6.357 4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.296 -6.918 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.980 -2.579 4.099 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.199 -2.494 5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.700 -2.378 3.688 1.00 0.00 H new ATOM 580 N PRO A 37 10.759 -2.826 6.959 1.00 0.00 N ATOM 581 CA PRO A 37 10.724 -1.552 7.659 1.00 0.00 C ATOM 582 C PRO A 37 9.899 -0.509 6.880 1.00 0.00 C ATOM 583 O PRO A 37 9.767 -0.623 5.665 1.00 0.00 O ATOM 584 CB PRO A 37 12.186 -1.065 7.689 1.00 0.00 C ATOM 585 CG PRO A 37 13.018 -2.203 7.097 1.00 0.00 C ATOM 586 CD PRO A 37 12.013 -2.954 6.235 1.00 0.00 C ATOM 0 HA PRO A 37 10.278 -1.671 8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.305 -0.151 7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.502 -0.839 8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.853 -1.827 6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.439 -2.841 7.874 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.943 -2.522 5.237 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.297 -3.999 6.111 1.00 0.00 H new ATOM 594 N PRO A 38 9.459 0.598 7.509 1.00 0.00 N ATOM 595 CA PRO A 38 8.717 1.684 6.858 1.00 0.00 C ATOM 596 C PRO A 38 9.514 2.427 5.762 1.00 0.00 C ATOM 597 O PRO A 38 9.063 3.473 5.287 1.00 0.00 O ATOM 598 CB PRO A 38 8.375 2.678 7.981 1.00 0.00 C ATOM 599 CG PRO A 38 8.510 1.883 9.273 1.00 0.00 C ATOM 600 CD PRO A 38 9.537 0.804 8.942 1.00 0.00 C ATOM 0 HA PRO A 38 7.848 1.263 6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.053 3.532 7.971 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.365 3.072 7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.846 2.514 10.096 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.557 1.447 9.574 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.539 1.117 9.236 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.320 -0.119 9.480 1.00 0.00 H new ATOM 608 N ASP A 39 10.735 2.004 5.442 1.00 0.00 N ATOM 609 CA ASP A 39 11.654 2.557 4.456 1.00 0.00 C ATOM 610 C ASP A 39 12.003 1.466 3.439 1.00 0.00 C ATOM 611 O ASP A 39 11.781 0.285 3.701 1.00 0.00 O ATOM 612 CB ASP A 39 12.908 3.056 5.184 1.00 0.00 C ATOM 613 CG ASP A 39 13.925 3.603 4.189 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.993 2.977 4.010 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.650 4.659 3.571 1.00 0.00 O ATOM 0 H ASP A 39 11.140 1.193 5.909 1.00 0.00 H new ATOM 0 HA ASP A 39 11.201 3.394 3.924 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.635 3.833 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.352 2.241 5.755 1.00 0.00 H new ATOM 620 N GLN A 40 12.550 1.836 2.278 1.00 0.00 N ATOM 621 CA GLN A 40 12.925 0.898 1.218 1.00 0.00 C ATOM 622 C GLN A 40 11.708 0.139 0.665 1.00 0.00 C ATOM 623 O GLN A 40 11.843 -0.956 0.129 1.00 0.00 O ATOM 624 CB GLN A 40 14.113 0.020 1.668 1.00 0.00 C ATOM 625 CG GLN A 40 14.882 -0.645 0.509 1.00 0.00 C ATOM 626 CD GLN A 40 16.184 -1.290 0.974 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.338 -1.678 2.130 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.173 -1.414 0.108 1.00 0.00 N ATOM 0 H GLN A 40 12.747 2.809 2.045 1.00 0.00 H new ATOM 0 HA GLN A 40 13.292 1.453 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.806 0.633 2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.743 -0.757 2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.250 -1.401 0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.101 0.101 -0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.052 -1.094 -0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.058 -1.830 0.400 1.00 0.00 H new ATOM 637 N ASN A 41 10.502 0.711 0.760 1.00 0.00 N ATOM 638 CA ASN A 41 9.288 0.084 0.249 1.00 0.00 C ATOM 639 C ASN A 41 8.217 1.148 0.002 1.00 0.00 C ATOM 640 O ASN A 41 8.177 2.153 0.714 1.00 0.00 O ATOM 641 CB ASN A 41 8.786 -0.953 1.263 1.00 0.00 C ATOM 642 CG ASN A 41 7.590 -1.719 0.731 1.00 0.00 C ATOM 643 OD1 ASN A 41 6.470 -1.541 1.198 1.00 0.00 O ATOM 644 ND2 ASN A 41 7.795 -2.579 -0.253 1.00 0.00 N ATOM 0 H ASN A 41 10.345 1.621 1.194 1.00 0.00 H new ATOM 0 HA ASN A 41 9.505 -0.416 -0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.590 -1.650 1.500 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.514 -0.452 2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.013 -3.109 -0.638 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.735 -2.712 -0.627 1.00 0.00 H new ATOM 651 N ARG A 42 7.349 0.963 -0.991 1.00 0.00 N ATOM 652 CA ARG A 42 6.276 1.888 -1.354 1.00 0.00 C ATOM 653 C ARG A 42 5.148 1.110 -2.019 1.00 0.00 C ATOM 654 O ARG A 42 5.390 0.042 -2.584 1.00 0.00 O ATOM 655 CB ARG A 42 6.854 2.914 -2.340 1.00 0.00 C ATOM 656 CG ARG A 42 5.994 4.171 -2.540 1.00 0.00 C ATOM 657 CD ARG A 42 6.834 5.162 -3.345 1.00 0.00 C ATOM 658 NE ARG A 42 6.301 6.528 -3.365 1.00 0.00 N ATOM 659 CZ ARG A 42 6.568 7.477 -2.458 1.00 0.00 C ATOM 660 NH1 ARG A 42 7.171 7.194 -1.306 1.00 0.00 N ATOM 661 NH2 ARG A 42 6.230 8.727 -2.735 1.00 0.00 N ATOM 0 H ARG A 42 7.374 0.135 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 42 5.883 2.393 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.840 3.218 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.994 2.429 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.072 3.928 -3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.707 4.599 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.843 5.184 -2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.916 4.802 -4.370 1.00 0.00 H new ATOM 0 HE ARG A 42 5.676 6.776 -4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.443 6.234 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.362 7.937 -0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.777 8.948 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.422 9.468 -2.061 1.00 0.00 H new ATOM 675 N LEU A 43 3.940 1.669 -1.991 1.00 0.00 N ATOM 676 CA LEU A 43 2.749 1.081 -2.580 1.00 0.00 C ATOM 677 C LEU A 43 2.330 1.907 -3.789 1.00 0.00 C ATOM 678 O LEU A 43 2.511 3.126 -3.833 1.00 0.00 O ATOM 679 CB LEU A 43 1.595 1.034 -1.561 1.00 0.00 C ATOM 680 CG LEU A 43 1.655 -0.076 -0.496 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.549 -1.467 -1.122 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.889 0.007 0.411 1.00 0.00 C ATOM 0 H LEU A 43 3.763 2.569 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 43 2.977 0.060 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.555 1.995 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.660 0.927 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 43 0.786 0.092 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.595 -2.223 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.603 -1.555 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.374 -1.616 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.863 -0.807 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.792 -0.075 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.890 0.962 0.937 1.00 0.00 H new ATOM 694 N ILE A 44 1.704 1.237 -4.749 1.00 0.00 N ATOM 695 CA ILE A 44 1.193 1.778 -6.000 1.00 0.00 C ATOM 696 C ILE A 44 -0.228 1.224 -6.159 1.00 0.00 C ATOM 697 O ILE A 44 -0.499 0.161 -5.614 1.00 0.00 O ATOM 698 CB ILE A 44 2.093 1.275 -7.162 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.604 1.533 -6.976 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.661 1.777 -8.551 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.035 3.003 -6.910 1.00 0.00 C ATOM 0 H ILE A 44 1.529 0.235 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 44 1.189 2.868 -6.008 1.00 0.00 H new ATOM 0 HB ILE A 44 1.937 0.197 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.926 1.040 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.137 1.056 -7.798 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.339 1.382 -9.308 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.646 1.439 -8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.691 2.866 -8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.116 3.060 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.755 3.506 -7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.541 3.490 -6.069 1.00 0.00 H new ATOM 713 N PHE A 45 -1.119 1.895 -6.892 1.00 0.00 N ATOM 714 CA PHE A 45 -2.493 1.476 -7.184 1.00 0.00 C ATOM 715 C PHE A 45 -2.698 1.777 -8.666 1.00 0.00 C ATOM 716 O PHE A 45 -2.935 2.926 -9.046 1.00 0.00 O ATOM 717 CB PHE A 45 -3.564 2.191 -6.340 1.00 0.00 C ATOM 718 CG PHE A 45 -4.955 1.956 -6.904 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.710 3.029 -7.415 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.427 0.638 -7.055 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.928 2.788 -8.074 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.621 0.396 -7.761 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.377 1.470 -8.259 1.00 0.00 C ATOM 0 H PHE A 45 -0.890 2.792 -7.320 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.613 0.422 -6.935 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.520 1.832 -5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.355 3.261 -6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.352 4.041 -7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.874 -0.186 -6.630 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.518 3.616 -8.438 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.956 -0.618 -7.920 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.302 1.283 -8.783 1.00 0.00 H new ATOM 733 N ALA A 46 -2.658 0.745 -9.506 1.00 0.00 N ATOM 734 CA ALA A 46 -2.821 0.820 -10.951 1.00 0.00 C ATOM 735 C ALA A 46 -1.934 1.935 -11.514 1.00 0.00 C ATOM 736 O ALA A 46 -2.414 2.893 -12.128 1.00 0.00 O ATOM 737 CB ALA A 46 -4.307 0.979 -11.289 1.00 0.00 C ATOM 0 H ALA A 46 -2.504 -0.209 -9.180 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.491 -0.102 -11.429 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.430 1.035 -12.371 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.861 0.123 -10.905 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.688 1.892 -10.832 1.00 0.00 H new ATOM 743 N GLY A 47 -0.640 1.847 -11.213 1.00 0.00 N ATOM 744 CA GLY A 47 0.382 2.789 -11.632 1.00 0.00 C ATOM 745 C GLY A 47 0.419 4.085 -10.823 1.00 0.00 C ATOM 746 O GLY A 47 1.404 4.811 -10.916 1.00 0.00 O ATOM 0 H GLY A 47 -0.265 1.085 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.356 2.304 -11.562 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.223 3.035 -12.682 1.00 0.00 H new ATOM 750 N LYS A 48 -0.606 4.424 -10.034 1.00 0.00 N ATOM 751 CA LYS A 48 -0.584 5.650 -9.251 1.00 0.00 C ATOM 752 C LYS A 48 0.314 5.422 -8.052 1.00 0.00 C ATOM 753 O LYS A 48 0.106 4.460 -7.318 1.00 0.00 O ATOM 754 CB LYS A 48 -2.005 6.040 -8.834 1.00 0.00 C ATOM 755 CG LYS A 48 -2.004 7.355 -8.041 1.00 0.00 C ATOM 756 CD LYS A 48 -3.291 8.151 -8.255 1.00 0.00 C ATOM 757 CE LYS A 48 -3.307 8.754 -9.666 1.00 0.00 C ATOM 758 NZ LYS A 48 -4.388 9.750 -9.816 1.00 0.00 N ATOM 0 H LYS A 48 -1.453 3.866 -9.925 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.191 6.478 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.632 6.146 -9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.441 5.246 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.883 7.139 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.149 7.960 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.156 7.503 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.366 8.944 -7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.346 9.225 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.438 7.960 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.371 10.138 -10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.307 9.294 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.248 10.520 -9.131 1.00 0.00 H new ATOM 772 N GLN A 49 1.267 6.320 -7.833 1.00 0.00 N ATOM 773 CA GLN A 49 2.205 6.234 -6.722 1.00 0.00 C ATOM 774 C GLN A 49 1.459 6.711 -5.478 1.00 0.00 C ATOM 775 O GLN A 49 0.768 7.734 -5.550 1.00 0.00 O ATOM 776 CB GLN A 49 3.416 7.161 -6.953 1.00 0.00 C ATOM 777 CG GLN A 49 4.342 6.845 -8.141 1.00 0.00 C ATOM 778 CD GLN A 49 3.705 6.913 -9.533 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.995 6.066 -10.373 1.00 0.00 O ATOM 780 NE2 GLN A 49 2.868 7.899 -9.838 1.00 0.00 N ATOM 0 H GLN A 49 1.411 7.136 -8.428 1.00 0.00 H new ATOM 0 HA GLN A 49 2.570 5.212 -6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.041 8.177 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.020 7.156 -6.046 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.182 7.539 -8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.751 5.844 -8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.630 8.601 -9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.464 7.954 -10.773 1.00 0.00 H new ATOM 789 N LEU A 50 1.607 5.994 -4.364 1.00 0.00 N ATOM 790 CA LEU A 50 0.967 6.286 -3.088 1.00 0.00 C ATOM 791 C LEU A 50 2.054 6.466 -2.038 1.00 0.00 C ATOM 792 O LEU A 50 3.112 5.832 -2.123 1.00 0.00 O ATOM 793 CB LEU A 50 0.052 5.119 -2.660 1.00 0.00 C ATOM 794 CG LEU A 50 -0.853 4.534 -3.761 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.577 3.297 -3.237 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.884 5.545 -4.264 1.00 0.00 C ATOM 0 H LEU A 50 2.198 5.164 -4.328 1.00 0.00 H new ATOM 0 HA LEU A 50 0.364 7.188 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.678 4.318 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.580 5.460 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.208 4.269 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.215 2.889 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.845 2.547 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.189 3.570 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.497 5.085 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.520 5.858 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.371 6.414 -4.676 1.00 0.00 H new ATOM 808 N GLU A 51 1.807 7.299 -1.032 1.00 0.00 N ATOM 809 CA GLU A 51 2.745 7.556 0.045 1.00 0.00 C ATOM 810 C GLU A 51 1.988 8.068 1.264 1.00 0.00 C ATOM 811 O GLU A 51 0.786 8.341 1.202 1.00 0.00 O ATOM 812 CB GLU A 51 3.817 8.540 -0.433 1.00 0.00 C ATOM 813 CG GLU A 51 3.377 10.006 -0.527 1.00 0.00 C ATOM 814 CD GLU A 51 4.181 10.761 -1.588 1.00 0.00 C ATOM 815 OE1 GLU A 51 5.396 11.003 -1.397 1.00 0.00 O ATOM 816 OE2 GLU A 51 3.608 11.134 -2.644 1.00 0.00 O ATOM 0 H GLU A 51 0.935 7.820 -0.945 1.00 0.00 H new ATOM 0 HA GLU A 51 3.253 6.637 0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.669 8.478 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.166 8.220 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.315 10.054 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.505 10.489 0.442 1.00 0.00 H new ATOM 823 N ASP A 52 2.678 8.139 2.397 1.00 0.00 N ATOM 824 CA ASP A 52 2.068 8.623 3.623 1.00 0.00 C ATOM 825 C ASP A 52 1.786 10.119 3.517 1.00 0.00 C ATOM 826 O ASP A 52 2.502 10.868 2.852 1.00 0.00 O ATOM 827 CB ASP A 52 2.873 8.243 4.873 1.00 0.00 C ATOM 828 CG ASP A 52 4.382 8.462 4.781 1.00 0.00 C ATOM 829 OD1 ASP A 52 4.840 9.600 4.555 1.00 0.00 O ATOM 830 OD2 ASP A 52 5.131 7.471 4.957 1.00 0.00 O ATOM 0 H ASP A 52 3.657 7.868 2.489 1.00 0.00 H new ATOM 0 HA ASP A 52 1.110 8.119 3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.492 8.818 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.690 7.192 5.095 1.00 0.00 H new ATOM 835 N GLY A 53 0.698 10.547 4.160 1.00 0.00 N ATOM 836 CA GLY A 53 0.249 11.930 4.182 1.00 0.00 C ATOM 837 C GLY A 53 -1.189 12.130 3.704 1.00 0.00 C ATOM 838 O GLY A 53 -1.700 13.236 3.881 1.00 0.00 O ATOM 0 H GLY A 53 0.093 9.921 4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.339 12.313 5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.914 12.526 3.557 1.00 0.00 H new ATOM 842 N ARG A 54 -1.857 11.124 3.118 1.00 0.00 N ATOM 843 CA ARG A 54 -3.239 11.224 2.645 1.00 0.00 C ATOM 844 C ARG A 54 -4.076 10.009 3.042 1.00 0.00 C ATOM 845 O ARG A 54 -3.550 9.068 3.648 1.00 0.00 O ATOM 846 CB ARG A 54 -3.307 11.387 1.135 1.00 0.00 C ATOM 847 CG ARG A 54 -2.248 12.296 0.512 1.00 0.00 C ATOM 848 CD ARG A 54 -2.915 12.885 -0.715 1.00 0.00 C ATOM 849 NE ARG A 54 -1.985 13.560 -1.628 1.00 0.00 N ATOM 850 CZ ARG A 54 -2.347 14.045 -2.820 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.627 14.080 -3.183 1.00 0.00 N ATOM 852 NH2 ARG A 54 -1.431 14.505 -3.654 1.00 0.00 N ATOM 0 H ARG A 54 -1.442 10.206 2.959 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.651 12.111 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.225 10.401 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.291 11.777 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.939 13.077 1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.353 11.735 0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.427 12.089 -1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.677 13.596 -0.397 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.013 13.664 -1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.347 13.734 -2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.888 14.453 -4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.446 14.490 -3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.709 14.875 -4.563 1.00 0.00 H new ATOM 866 N THR A 55 -5.360 10.047 2.687 1.00 0.00 N ATOM 867 CA THR A 55 -6.341 8.997 2.936 1.00 0.00 C ATOM 868 C THR A 55 -6.523 8.137 1.693 1.00 0.00 C ATOM 869 O THR A 55 -6.101 8.504 0.591 1.00 0.00 O ATOM 870 CB THR A 55 -7.708 9.586 3.326 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.214 10.420 2.299 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.660 10.333 4.654 1.00 0.00 C ATOM 0 H THR A 55 -5.760 10.847 2.196 1.00 0.00 H new ATOM 0 HA THR A 55 -5.964 8.392 3.761 1.00 0.00 H new ATOM 0 HB THR A 55 -8.388 8.744 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.726 11.270 2.298 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.649 10.729 4.884 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.350 9.650 5.445 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.947 11.155 4.584 1.00 0.00 H new ATOM 880 N LEU A 56 -7.197 7.001 1.864 1.00 0.00 N ATOM 881 CA LEU A 56 -7.502 6.085 0.780 1.00 0.00 C ATOM 882 C LEU A 56 -8.434 6.806 -0.214 1.00 0.00 C ATOM 883 O LEU A 56 -8.314 6.632 -1.430 1.00 0.00 O ATOM 884 CB LEU A 56 -8.155 4.830 1.387 1.00 0.00 C ATOM 885 CG LEU A 56 -7.681 3.524 0.729 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.101 2.583 1.786 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.832 2.837 0.000 1.00 0.00 C ATOM 0 H LEU A 56 -7.548 6.693 2.771 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.608 5.775 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.934 4.793 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.238 4.907 1.288 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.906 3.769 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.768 1.661 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.254 3.064 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.866 2.352 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.474 1.915 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.626 2.605 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.220 3.500 -0.774 1.00 0.00 H new ATOM 899 N SER A 57 -9.327 7.655 0.308 1.00 0.00 N ATOM 900 CA SER A 57 -10.284 8.454 -0.426 1.00 0.00 C ATOM 901 C SER A 57 -9.574 9.501 -1.284 1.00 0.00 C ATOM 902 O SER A 57 -9.933 9.658 -2.450 1.00 0.00 O ATOM 903 CB SER A 57 -11.199 9.133 0.591 1.00 0.00 C ATOM 904 OG SER A 57 -12.154 8.216 1.081 1.00 0.00 O ATOM 0 H SER A 57 -9.395 7.803 1.315 1.00 0.00 H new ATOM 0 HA SER A 57 -10.863 7.820 -1.098 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.607 9.527 1.417 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.703 9.981 0.127 1.00 0.00 H new ATOM 0 HG SER A 57 -12.733 8.664 1.733 1.00 0.00 H new ATOM 910 N ASP A 58 -8.542 10.182 -0.770 1.00 0.00 N ATOM 911 CA ASP A 58 -7.804 11.211 -1.519 1.00 0.00 C ATOM 912 C ASP A 58 -7.224 10.632 -2.800 1.00 0.00 C ATOM 913 O ASP A 58 -7.212 11.298 -3.838 1.00 0.00 O ATOM 914 CB ASP A 58 -6.632 11.794 -0.722 1.00 0.00 C ATOM 915 CG ASP A 58 -7.064 12.756 0.374 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.742 12.510 1.561 1.00 0.00 O ATOM 917 OD2 ASP A 58 -7.702 13.783 0.059 1.00 0.00 O ATOM 0 H ASP A 58 -8.194 10.036 0.178 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.529 11.998 -1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.065 10.978 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.960 12.313 -1.406 1.00 0.00 H new ATOM 922 N TYR A 59 -6.720 9.399 -2.728 1.00 0.00 N ATOM 923 CA TYR A 59 -6.147 8.724 -3.883 1.00 0.00 C ATOM 924 C TYR A 59 -7.224 8.109 -4.786 1.00 0.00 C ATOM 925 O TYR A 59 -6.909 7.655 -5.889 1.00 0.00 O ATOM 926 CB TYR A 59 -5.176 7.645 -3.410 1.00 0.00 C ATOM 927 CG TYR A 59 -3.851 8.203 -2.942 1.00 0.00 C ATOM 928 CD1 TYR A 59 -2.930 8.700 -3.885 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.529 8.206 -1.575 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.674 9.165 -3.466 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.279 8.679 -1.149 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.346 9.147 -2.093 1.00 0.00 C ATOM 933 OH TYR A 59 -0.130 9.563 -1.666 1.00 0.00 O ATOM 0 H TYR A 59 -6.700 8.847 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.616 9.467 -4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.635 7.083 -2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.000 6.941 -4.223 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.191 8.723 -4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.244 7.844 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.962 9.534 -4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.033 8.684 -0.097 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.153 9.699 -0.696 1.00 0.00 H new ATOM 943 N ASN A 60 -8.488 8.138 -4.359 1.00 0.00 N ATOM 944 CA ASN A 60 -9.664 7.601 -5.024 1.00 0.00 C ATOM 945 C ASN A 60 -9.406 6.133 -5.366 1.00 0.00 C ATOM 946 O ASN A 60 -9.232 5.754 -6.524 1.00 0.00 O ATOM 947 CB ASN A 60 -10.102 8.477 -6.208 1.00 0.00 C ATOM 948 CG ASN A 60 -11.471 8.088 -6.656 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.496 8.525 -6.145 1.00 0.00 O ATOM 950 ND2 ASN A 60 -11.491 7.220 -7.638 1.00 0.00 N ATOM 0 H ASN A 60 -8.728 8.573 -3.468 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.525 7.626 -4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.091 9.527 -5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.397 8.367 -7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.382 6.884 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.616 6.880 -8.036 1.00 0.00 H new ATOM 957 N ILE A 61 -9.367 5.305 -4.330 1.00 0.00 N ATOM 958 CA ILE A 61 -9.115 3.874 -4.404 1.00 0.00 C ATOM 959 C ILE A 61 -10.366 3.142 -3.915 1.00 0.00 C ATOM 960 O ILE A 61 -10.724 3.231 -2.742 1.00 0.00 O ATOM 961 CB ILE A 61 -7.854 3.512 -3.576 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.610 4.309 -4.023 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.573 2.003 -3.660 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.378 4.062 -3.143 1.00 0.00 C ATOM 0 H ILE A 61 -9.517 5.628 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.913 3.566 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.061 3.785 -2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.370 4.045 -5.053 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.847 5.373 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.685 1.765 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.427 1.451 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.408 1.721 -4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.541 4.653 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.600 4.352 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.116 3.004 -3.172 1.00 0.00 H new ATOM 976 N GLN A 62 -11.067 2.448 -4.812 1.00 0.00 N ATOM 977 CA GLN A 62 -12.259 1.678 -4.476 1.00 0.00 C ATOM 978 C GLN A 62 -11.827 0.342 -3.844 1.00 0.00 C ATOM 979 O GLN A 62 -10.630 0.064 -3.685 1.00 0.00 O ATOM 980 CB GLN A 62 -13.111 1.475 -5.743 1.00 0.00 C ATOM 981 CG GLN A 62 -13.843 2.760 -6.162 1.00 0.00 C ATOM 982 CD GLN A 62 -12.952 3.812 -6.822 1.00 0.00 C ATOM 983 OE1 GLN A 62 -12.657 3.753 -8.015 1.00 0.00 O ATOM 984 NE2 GLN A 62 -12.525 4.826 -6.091 1.00 0.00 N ATOM 0 H GLN A 62 -10.819 2.406 -5.800 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.874 2.210 -3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.471 1.141 -6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.840 0.685 -5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.645 2.497 -6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.311 3.200 -5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.767 4.879 -5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.953 5.556 -6.516 1.00 0.00 H new ATOM 993 N LYS A 63 -12.790 -0.469 -3.404 1.00 0.00 N ATOM 994 CA LYS A 63 -12.517 -1.774 -2.804 1.00 0.00 C ATOM 995 C LYS A 63 -11.956 -2.718 -3.870 1.00 0.00 C ATOM 996 O LYS A 63 -12.080 -2.468 -5.071 1.00 0.00 O ATOM 997 CB LYS A 63 -13.796 -2.346 -2.164 1.00 0.00 C ATOM 998 CG LYS A 63 -14.882 -2.644 -3.207 1.00 0.00 C ATOM 999 CD LYS A 63 -16.210 -3.077 -2.588 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.167 -3.320 -3.758 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.560 -3.515 -3.332 1.00 0.00 N ATOM 0 H LYS A 63 -13.782 -0.238 -3.454 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.774 -1.665 -2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.552 -3.261 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.182 -1.637 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.045 -1.755 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.528 -3.428 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.085 -3.981 -1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.598 -2.307 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.118 -2.473 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.837 -4.198 -4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.159 -3.675 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.618 -4.340 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.890 -2.668 -2.826 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.382 -3.826 -3.414 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.787 -4.884 -4.221 1.00 0.00 C ATOM 1017 C GLU A 64 -9.826 -4.374 -5.298 1.00 0.00 C ATOM 1018 O GLU A 64 -9.800 -4.854 -6.439 1.00 0.00 O ATOM 1019 CB GLU A 64 -11.880 -5.833 -4.721 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.444 -6.630 -3.539 1.00 0.00 C ATOM 1021 CD GLU A 64 -13.442 -7.683 -3.995 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.531 -7.759 -3.378 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -13.110 -8.466 -4.913 1.00 0.00 O ATOM 0 H GLU A 64 -11.316 -4.020 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.126 -5.472 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.676 -5.266 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.472 -6.512 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.627 -7.112 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.928 -5.949 -2.839 1.00 0.00 H new ATOM 1030 N SER A 65 -9.080 -3.331 -4.943 1.00 0.00 N ATOM 1031 CA SER A 65 -8.067 -2.722 -5.782 1.00 0.00 C ATOM 1032 C SER A 65 -6.871 -3.698 -5.780 1.00 0.00 C ATOM 1033 O SER A 65 -6.851 -4.634 -4.974 1.00 0.00 O ATOM 1034 CB SER A 65 -7.766 -1.307 -5.261 1.00 0.00 C ATOM 1035 OG SER A 65 -8.202 -1.092 -3.933 1.00 0.00 O ATOM 0 H SER A 65 -9.171 -2.877 -4.034 1.00 0.00 H new ATOM 0 HA SER A 65 -8.373 -2.573 -6.817 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.692 -1.129 -5.316 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.244 -0.578 -5.915 1.00 0.00 H new ATOM 0 HG SER A 65 -9.106 -0.714 -3.943 1.00 0.00 H new ATOM 1041 N THR A 66 -5.874 -3.510 -6.650 1.00 0.00 N ATOM 1042 CA THR A 66 -4.737 -4.420 -6.713 1.00 0.00 C ATOM 1043 C THR A 66 -3.523 -3.531 -6.755 1.00 0.00 C ATOM 1044 O THR A 66 -3.152 -2.999 -7.806 1.00 0.00 O ATOM 1045 CB THR A 66 -4.845 -5.383 -7.904 1.00 0.00 C ATOM 1046 OG1 THR A 66 -6.133 -5.954 -7.935 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.800 -6.503 -7.813 1.00 0.00 C ATOM 0 H THR A 66 -5.835 -2.738 -7.316 1.00 0.00 H new ATOM 0 HA THR A 66 -4.687 -5.086 -5.851 1.00 0.00 H new ATOM 0 HB THR A 66 -4.663 -4.814 -8.815 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.201 -6.567 -8.697 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.903 -7.167 -8.671 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.800 -6.068 -7.809 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.953 -7.070 -6.895 1.00 0.00 H new ATOM 1055 N LEU A 67 -3.008 -3.279 -5.562 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.859 -2.445 -5.335 1.00 0.00 C ATOM 1057 C LEU A 67 -0.603 -3.255 -5.638 1.00 0.00 C ATOM 1058 O LEU A 67 -0.655 -4.486 -5.707 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.878 -1.930 -3.881 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.916 -0.812 -3.638 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.371 -1.298 -3.657 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.666 -0.134 -2.292 1.00 0.00 C ATOM 0 H LEU A 67 -3.398 -3.666 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.873 -1.575 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.090 -2.763 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.887 -1.557 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.784 -0.117 -4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.039 -0.455 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.595 -1.739 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.515 -2.046 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.406 0.651 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.746 -0.871 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.667 0.303 -2.284 1.00 0.00 H new ATOM 1074 N HIS A 68 0.528 -2.578 -5.793 1.00 0.00 N ATOM 1075 CA HIS A 68 1.810 -3.204 -6.078 1.00 0.00 C ATOM 1076 C HIS A 68 2.849 -2.659 -5.107 1.00 0.00 C ATOM 1077 O HIS A 68 2.825 -1.470 -4.779 1.00 0.00 O ATOM 1078 CB HIS A 68 2.212 -2.956 -7.539 1.00 0.00 C ATOM 1079 CG HIS A 68 3.252 -3.943 -7.996 1.00 0.00 C ATOM 1080 ND1 HIS A 68 4.543 -3.975 -7.532 1.00 0.00 N ATOM 1081 CD2 HIS A 68 3.061 -5.035 -8.799 1.00 0.00 C ATOM 1082 CE1 HIS A 68 5.115 -5.091 -8.005 1.00 0.00 C ATOM 1083 NE2 HIS A 68 4.264 -5.751 -8.813 1.00 0.00 N ATOM 0 H HIS A 68 0.579 -1.562 -5.723 1.00 0.00 H new ATOM 0 HA HIS A 68 1.739 -4.283 -5.944 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.332 -3.030 -8.178 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.598 -1.942 -7.645 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.153 -5.295 -9.323 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.118 -5.415 -7.771 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.458 -6.606 -9.334 1.00 0.00 H new ATOM 1090 N LEU A 69 3.710 -3.540 -4.604 1.00 0.00 N ATOM 1091 CA LEU A 69 4.793 -3.245 -3.681 1.00 0.00 C ATOM 1092 C LEU A 69 6.050 -3.081 -4.508 1.00 0.00 C ATOM 1093 O LEU A 69 6.468 -4.002 -5.205 1.00 0.00 O ATOM 1094 CB LEU A 69 4.992 -4.404 -2.700 1.00 0.00 C ATOM 1095 CG LEU A 69 3.968 -4.353 -1.562 1.00 0.00 C ATOM 1096 CD1 LEU A 69 3.694 -5.743 -0.988 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.475 -3.428 -0.456 1.00 0.00 C ATOM 0 H LEU A 69 3.665 -4.530 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 69 4.566 -2.345 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.902 -5.352 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.000 -4.364 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 69 3.032 -3.968 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.963 -5.667 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.303 -6.390 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.620 -6.165 -0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.745 -3.393 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.423 -3.805 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.619 -2.425 -0.858 1.00 0.00 H new ATOM 1109 N VAL A 70 6.653 -1.906 -4.421 1.00 0.00 N ATOM 1110 CA VAL A 70 7.869 -1.548 -5.130 1.00 0.00 C ATOM 1111 C VAL A 70 8.825 -0.909 -4.127 1.00 0.00 C ATOM 1112 O VAL A 70 8.426 -0.592 -3.006 1.00 0.00 O ATOM 1113 CB VAL A 70 7.516 -0.627 -6.316 1.00 0.00 C ATOM 1114 CG1 VAL A 70 6.631 -1.341 -7.346 1.00 0.00 C ATOM 1115 CG2 VAL A 70 6.780 0.642 -5.874 1.00 0.00 C ATOM 0 H VAL A 70 6.297 -1.151 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 70 8.367 -2.419 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 70 8.473 -0.356 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.404 -0.659 -8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.156 -2.214 -7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.703 -1.658 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.555 1.255 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.851 0.368 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.409 1.207 -5.186 1.00 0.00 H new ATOM 1125 N LEU A 71 10.085 -0.683 -4.501 1.00 0.00 N ATOM 1126 CA LEU A 71 11.055 -0.068 -3.606 1.00 0.00 C ATOM 1127 C LEU A 71 11.873 1.011 -4.297 1.00 0.00 C ATOM 1128 O LEU A 71 11.720 1.289 -5.490 1.00 0.00 O ATOM 1129 CB LEU A 71 11.918 -1.147 -2.938 1.00 0.00 C ATOM 1130 CG LEU A 71 12.879 -1.942 -3.841 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.114 -1.121 -4.218 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.351 -3.175 -3.071 1.00 0.00 C ATOM 0 H LEU A 71 10.455 -0.919 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 71 10.513 0.451 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.508 -0.670 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.251 -1.856 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 71 12.347 -2.208 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.767 -1.717 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.805 -0.224 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.652 -0.836 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.034 -3.753 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.865 -2.862 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.491 -3.791 -2.807 1.00 0.00 H new ATOM 1144 N ARG A 72 12.675 1.685 -3.486 1.00 0.00 N ATOM 1145 CA ARG A 72 13.616 2.751 -3.765 1.00 0.00 C ATOM 1146 C ARG A 72 14.499 2.798 -2.521 1.00 0.00 C ATOM 1147 O ARG A 72 14.253 2.055 -1.573 1.00 0.00 O ATOM 1148 CB ARG A 72 12.865 4.068 -3.966 1.00 0.00 C ATOM 1149 CG ARG A 72 13.647 5.107 -4.777 1.00 0.00 C ATOM 1150 CD ARG A 72 12.735 6.308 -4.992 1.00 0.00 C ATOM 1151 NE ARG A 72 13.273 7.254 -5.976 1.00 0.00 N ATOM 1152 CZ ARG A 72 13.170 8.586 -5.951 1.00 0.00 C ATOM 1153 NH1 ARG A 72 12.785 9.251 -4.865 1.00 0.00 N ATOM 1154 NH2 ARG A 72 13.465 9.239 -7.064 1.00 0.00 N ATOM 0 H ARG A 72 12.678 1.465 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 72 14.198 2.589 -4.672 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.920 3.864 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.622 4.490 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.552 5.404 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.961 4.689 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.756 5.962 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.587 6.822 -4.042 1.00 0.00 H new ATOM 0 HE ARG A 72 13.780 6.852 -6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.556 8.743 -4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.719 10.269 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.757 8.725 -7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.400 10.257 -7.091 1.00 0.00 H new ATOM 1168 N LEU A 73 15.489 3.671 -2.475 1.00 0.00 N ATOM 1169 CA LEU A 73 16.381 3.804 -1.335 1.00 0.00 C ATOM 1170 C LEU A 73 16.695 5.284 -1.163 1.00 0.00 C ATOM 1171 O LEU A 73 16.293 6.109 -1.993 1.00 0.00 O ATOM 1172 CB LEU A 73 17.648 2.973 -1.605 1.00 0.00 C ATOM 1173 CG LEU A 73 18.050 2.042 -0.451 1.00 0.00 C ATOM 1174 CD1 LEU A 73 19.281 1.237 -0.856 1.00 0.00 C ATOM 1175 CD2 LEU A 73 18.395 2.774 0.844 1.00 0.00 C ATOM 0 H LEU A 73 15.700 4.316 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 73 15.929 3.434 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.491 2.374 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.475 3.651 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 73 17.180 1.413 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.568 0.576 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.052 0.643 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.103 1.917 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 73 18.668 2.049 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.232 3.449 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.531 3.347 1.179 1.00 0.00 H new ATOM 1187 N ARG A 74 17.405 5.629 -0.090 1.00 0.00 N ATOM 1188 CA ARG A 74 17.804 6.996 0.212 1.00 0.00 C ATOM 1189 C ARG A 74 18.913 7.463 -0.725 1.00 0.00 C ATOM 1190 O ARG A 74 19.183 6.846 -1.763 1.00 0.00 O ATOM 1191 CB ARG A 74 18.157 7.137 1.706 1.00 0.00 C ATOM 1192 CG ARG A 74 19.389 6.329 2.123 1.00 0.00 C ATOM 1193 CD ARG A 74 19.870 6.687 3.526 1.00 0.00 C ATOM 1194 NE ARG A 74 21.104 5.947 3.807 1.00 0.00 N ATOM 1195 CZ ARG A 74 21.558 5.576 5.003 1.00 0.00 C ATOM 1196 NH1 ARG A 74 21.025 6.079 6.108 1.00 0.00 N ATOM 1197 NH2 ARG A 74 22.541 4.691 5.084 1.00 0.00 N ATOM 0 H ARG A 74 17.723 4.952 0.604 1.00 0.00 H new ATOM 0 HA ARG A 74 16.962 7.664 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 74 18.329 8.189 1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 74 17.304 6.818 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 74 19.154 5.265 2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 74 20.194 6.505 1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 74 20.048 7.760 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 74 19.105 6.438 4.262 1.00 0.00 H new ATOM 0 HE ARG A 74 21.675 5.689 3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 74 20.263 6.754 6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 74 21.377 5.791 7.021 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.945 4.298 4.234 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.894 4.402 5.997 1.00 0.00 H new ATOM 1211 N GLY A 75 19.531 8.591 -0.382 1.00 0.00 N ATOM 1212 CA GLY A 75 20.616 9.189 -1.141 1.00 0.00 C ATOM 1213 C GLY A 75 21.841 8.289 -1.314 1.00 0.00 C ATOM 1214 O GLY A 75 22.670 8.587 -2.174 1.00 0.00 O ATOM 0 H GLY A 75 19.282 9.124 0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.243 9.467 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 75 20.924 10.110 -0.646 1.00 0.00 H new ATOM 1218 N GLY A 76 21.981 7.213 -0.541 1.00 0.00 N ATOM 1219 CA GLY A 76 23.089 6.283 -0.605 1.00 0.00 C ATOM 1220 C GLY A 76 22.734 5.115 0.277 1.00 0.00 C ATOM 1221 O GLY A 76 22.542 4.004 -0.250 1.00 0.00 O ATOM 0 H GLY A 76 21.295 6.963 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 76 23.258 5.955 -1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.010 6.757 -0.266 1.00 0.00 H new TER 1225 GLY A 76