USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 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 63 SER OG : rot -30:sc= 0.523 USER MOD Set 1.2: A 66 THR OG1 : rot -144:sc= 1.51 USER MOD Set 2.1: A 9 ASN : amide:sc= 0.932 K(o=2,f=-7.7!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 145:sc= 1.1 (180deg=-0.0328) USER MOD Single : A 1 MET CE :methyl -141:sc= 0 (180deg=-0.29) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.26 (180deg=1.1) USER MOD Single : A 2 GLN : amide:sc= -1.46! K(o=-1.5!,f=0.031) USER MOD Single : A 3 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.56) USER MOD Single : A 16 ASN : amide:sc= -0.596 K(o=-0.6,f=-0.022) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot -36:sc= 0.425 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -83:sc= 0.97 USER MOD Single : A 33 ASN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -170:sc= -0.0237 (180deg=-0.189) USER MOD Single : A 44 ASN : amide:sc= -1.67! X(o=-1.7!,f=-1.7) USER MOD Single : A 47 THR OG1 : rot 73:sc= 0.71 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 69 THR OG1 : rot 29:sc= 0.895 USER MOD Single : A 72 SER OG : rot -130:sc= -0.349 USER MOD Single : A 79 HIS : no HD1:sc= -0.294 X(o=-0.29,f=0.035) USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= 2.17 (180deg=0.828) USER MOD Single : A 82 SER OG : rot 81:sc= 0.751 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.183 -8.891 -5.638 1.00 0.00 N ATOM 2 CA MET A 1 -6.775 -8.510 -5.406 1.00 0.00 C ATOM 3 C MET A 1 -6.057 -9.613 -4.635 1.00 0.00 C ATOM 4 O MET A 1 -6.623 -10.216 -3.720 1.00 0.00 O ATOM 5 CB MET A 1 -6.671 -7.137 -4.675 1.00 0.00 C ATOM 6 CG MET A 1 -6.894 -5.948 -5.612 1.00 0.00 C ATOM 7 SD MET A 1 -8.468 -6.065 -6.502 1.00 0.00 S ATOM 8 CE MET A 1 -8.192 -4.976 -7.898 1.00 0.00 C ATOM 0 H1 MET A 1 -8.737 -8.044 -5.879 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.234 -9.573 -6.422 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.572 -9.325 -4.776 1.00 0.00 H new ATOM 0 HA MET A 1 -6.284 -8.391 -6.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.406 -7.102 -3.870 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.688 -7.050 -4.213 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.873 -5.024 -5.035 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.076 -5.895 -6.330 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.102 -4.414 -8.107 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.383 -4.283 -7.665 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.922 -5.567 -8.773 1.00 0.00 H new ATOM 18 N GLN A 2 -4.825 -9.901 -5.058 1.00 0.00 N ATOM 19 CA GLN A 2 -3.946 -10.888 -4.418 1.00 0.00 C ATOM 20 C GLN A 2 -2.932 -10.197 -3.493 1.00 0.00 C ATOM 21 O GLN A 2 -2.618 -10.712 -2.420 1.00 0.00 O ATOM 22 CB GLN A 2 -3.223 -11.776 -5.479 1.00 0.00 C ATOM 23 CG GLN A 2 -2.592 -11.026 -6.692 1.00 0.00 C ATOM 24 CD GLN A 2 -3.501 -11.022 -7.929 1.00 0.00 C ATOM 25 OE1 GLN A 2 -3.460 -11.946 -8.738 1.00 0.00 O ATOM 26 NE2 GLN A 2 -4.290 -9.978 -8.109 1.00 0.00 N ATOM 0 H GLN A 2 -4.401 -9.449 -5.868 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.568 -11.544 -3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.435 -12.337 -4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.939 -12.504 -5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.374 -9.998 -6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.641 -11.494 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.304 -9.225 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.885 -9.925 -8.936 1.00 0.00 H new ATOM 35 N HIS A 3 -2.456 -9.004 -3.906 1.00 0.00 N ATOM 36 CA HIS A 3 -1.326 -8.313 -3.258 1.00 0.00 C ATOM 37 C HIS A 3 -1.694 -7.690 -1.899 1.00 0.00 C ATOM 38 O HIS A 3 -0.791 -7.402 -1.123 1.00 0.00 O ATOM 39 CB HIS A 3 -0.724 -7.234 -4.196 1.00 0.00 C ATOM 40 CG HIS A 3 -0.038 -7.761 -5.437 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.777 -8.865 -5.438 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.044 -7.310 -6.712 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.248 -9.065 -6.653 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.763 -8.133 -7.446 1.00 0.00 N ATOM 0 H HIS A 3 -2.846 -8.494 -4.699 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.577 -9.080 -3.062 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.522 -6.557 -4.502 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.006 -6.643 -3.628 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.588 -6.454 -7.083 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.918 -9.859 -6.948 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.957 -8.040 -8.443 1.00 0.00 H new ATOM 53 N LEU A 4 -3.012 -7.508 -1.615 1.00 0.00 N ATOM 54 CA LEU A 4 -3.513 -6.871 -0.355 1.00 0.00 C ATOM 55 C LEU A 4 -2.916 -7.518 0.915 1.00 0.00 C ATOM 56 O LEU A 4 -2.697 -6.841 1.925 1.00 0.00 O ATOM 57 CB LEU A 4 -5.079 -6.922 -0.264 1.00 0.00 C ATOM 58 CG LEU A 4 -5.746 -8.279 0.181 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.259 -8.115 0.414 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.469 -9.429 -0.815 1.00 0.00 C ATOM 0 H LEU A 4 -3.759 -7.796 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.185 -5.833 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.399 -6.147 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.480 -6.657 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.281 -8.552 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.686 -9.070 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.429 -7.375 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.735 -7.783 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.951 -10.341 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.867 -9.165 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.394 -9.593 -0.892 1.00 0.00 H new ATOM 72 N GLU A 5 -2.662 -8.837 0.832 1.00 0.00 N ATOM 73 CA GLU A 5 -2.179 -9.635 1.961 1.00 0.00 C ATOM 74 C GLU A 5 -0.703 -9.324 2.272 1.00 0.00 C ATOM 75 O GLU A 5 -0.316 -9.203 3.440 1.00 0.00 O ATOM 76 CB GLU A 5 -2.391 -11.142 1.688 1.00 0.00 C ATOM 77 CG GLU A 5 -1.908 -12.063 2.824 1.00 0.00 C ATOM 78 CD GLU A 5 -2.351 -13.516 2.642 1.00 0.00 C ATOM 79 OE1 GLU A 5 -1.701 -14.256 1.883 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.359 -13.918 3.252 1.00 0.00 O ATOM 0 H GLU A 5 -2.788 -9.376 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.760 -9.365 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.452 -11.323 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.868 -11.411 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.820 -12.024 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.288 -11.689 3.775 1.00 0.00 H new ATOM 87 N ALA A 6 0.107 -9.188 1.218 1.00 0.00 N ATOM 88 CA ALA A 6 1.521 -8.800 1.341 1.00 0.00 C ATOM 89 C ALA A 6 1.655 -7.328 1.763 1.00 0.00 C ATOM 90 O ALA A 6 2.621 -6.961 2.424 1.00 0.00 O ATOM 91 CB ALA A 6 2.264 -9.063 0.034 1.00 0.00 C ATOM 0 H ALA A 6 -0.195 -9.343 0.256 1.00 0.00 H new ATOM 0 HA ALA A 6 1.975 -9.411 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.308 -8.770 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.208 -10.124 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.807 -8.483 -0.768 1.00 0.00 H new ATOM 97 N VAL A 7 0.661 -6.500 1.384 1.00 0.00 N ATOM 98 CA VAL A 7 0.607 -5.084 1.773 1.00 0.00 C ATOM 99 C VAL A 7 0.369 -4.965 3.291 1.00 0.00 C ATOM 100 O VAL A 7 1.116 -4.273 3.983 1.00 0.00 O ATOM 101 CB VAL A 7 -0.511 -4.289 0.998 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.635 -2.842 1.530 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.262 -4.280 -0.531 1.00 0.00 C ATOM 0 H VAL A 7 -0.122 -6.796 0.802 1.00 0.00 H new ATOM 0 HA VAL A 7 1.567 -4.641 1.508 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.452 -4.809 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.414 -2.317 0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.894 -2.864 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.315 -2.324 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.056 -3.721 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.698 -3.808 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.252 -5.304 -0.904 1.00 0.00 H new ATOM 113 N ARG A 8 -0.660 -5.679 3.804 1.00 0.00 N ATOM 114 CA ARG A 8 -1.008 -5.641 5.245 1.00 0.00 C ATOM 115 C ARG A 8 0.100 -6.295 6.067 1.00 0.00 C ATOM 116 O ARG A 8 0.327 -5.899 7.209 1.00 0.00 O ATOM 117 CB ARG A 8 -2.381 -6.303 5.543 1.00 0.00 C ATOM 118 CG ARG A 8 -2.482 -7.804 5.225 1.00 0.00 C ATOM 119 CD ARG A 8 -3.895 -8.374 5.438 1.00 0.00 C ATOM 120 NE ARG A 8 -3.997 -9.785 5.018 1.00 0.00 N ATOM 121 CZ ARG A 8 -5.145 -10.432 4.744 1.00 0.00 C ATOM 122 NH1 ARG A 8 -6.325 -9.857 4.946 1.00 0.00 N ATOM 123 NH2 ARG A 8 -5.103 -11.676 4.301 1.00 0.00 N ATOM 0 H ARG A 8 -1.261 -6.285 3.246 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.099 -4.593 5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.612 -6.158 6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.148 -5.778 4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.182 -7.971 4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.778 -8.350 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.164 -8.290 6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.614 -7.777 4.877 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.128 -10.312 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.373 -8.907 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.183 -10.365 4.732 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.204 -12.140 4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.969 -12.172 4.091 1.00 0.00 H new ATOM 137 N ASN A 9 0.815 -7.260 5.446 1.00 0.00 N ATOM 138 CA ASN A 9 1.986 -7.900 6.048 1.00 0.00 C ATOM 139 C ASN A 9 3.067 -6.840 6.339 1.00 0.00 C ATOM 140 O ASN A 9 3.532 -6.712 7.476 1.00 0.00 O ATOM 141 CB ASN A 9 2.546 -9.003 5.107 1.00 0.00 C ATOM 142 CG ASN A 9 3.859 -9.641 5.591 1.00 0.00 C ATOM 143 OD1 ASN A 9 4.098 -9.796 6.787 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.725 -10.004 4.660 1.00 0.00 N ATOM 0 H ASN A 9 0.589 -7.610 4.515 1.00 0.00 H new ATOM 0 HA ASN A 9 1.690 -8.370 6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.795 -9.785 4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.707 -8.573 4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.615 -10.423 4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.503 -9.865 3.674 1.00 0.00 H new ATOM 151 N ILE A 10 3.406 -6.064 5.289 1.00 0.00 N ATOM 152 CA ILE A 10 4.431 -5.012 5.342 1.00 0.00 C ATOM 153 C ILE A 10 4.045 -3.899 6.329 1.00 0.00 C ATOM 154 O ILE A 10 4.812 -3.596 7.239 1.00 0.00 O ATOM 155 CB ILE A 10 4.695 -4.397 3.912 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.344 -5.458 2.959 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.565 -3.117 3.997 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.517 -4.993 1.524 1.00 0.00 C ATOM 0 H ILE A 10 2.968 -6.155 4.372 1.00 0.00 H new ATOM 0 HA ILE A 10 5.350 -5.480 5.694 1.00 0.00 H new ATOM 0 HB ILE A 10 3.731 -4.110 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.320 -5.737 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.728 -6.357 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.727 -2.720 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.055 -2.370 4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.526 -3.360 4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.973 -5.790 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.543 -4.743 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.159 -4.113 1.502 1.00 0.00 H new ATOM 170 N LEU A 11 2.858 -3.305 6.142 1.00 0.00 N ATOM 171 CA LEU A 11 2.406 -2.153 6.947 1.00 0.00 C ATOM 172 C LEU A 11 2.219 -2.537 8.426 1.00 0.00 C ATOM 173 O LEU A 11 2.495 -1.730 9.305 1.00 0.00 O ATOM 174 CB LEU A 11 1.115 -1.507 6.345 1.00 0.00 C ATOM 175 CG LEU A 11 1.334 -0.517 5.138 1.00 0.00 C ATOM 176 CD1 LEU A 11 1.969 -1.205 3.910 1.00 0.00 C ATOM 177 CD2 LEU A 11 0.025 0.202 4.749 1.00 0.00 C ATOM 0 H LEU A 11 2.186 -3.604 5.435 1.00 0.00 H new ATOM 0 HA LEU A 11 3.191 -1.398 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.452 -2.307 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.597 -0.970 7.140 1.00 0.00 H new ATOM 0 HG LEU A 11 2.045 0.233 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.096 -0.476 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.941 -1.616 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.319 -2.010 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.215 0.876 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.723 -0.536 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.343 0.774 5.601 1.00 0.00 H new ATOM 189 N GLY A 12 1.775 -3.775 8.690 1.00 0.00 N ATOM 190 CA GLY A 12 1.656 -4.272 10.054 1.00 0.00 C ATOM 191 C GLY A 12 2.982 -4.720 10.661 1.00 0.00 C ATOM 192 O GLY A 12 3.089 -4.845 11.879 1.00 0.00 O ATOM 0 H GLY A 12 1.495 -4.444 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.226 -3.490 10.680 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.959 -5.110 10.066 1.00 0.00 H new ATOM 196 N ASP A 13 3.981 -5.005 9.808 1.00 0.00 N ATOM 197 CA ASP A 13 5.359 -5.321 10.254 1.00 0.00 C ATOM 198 C ASP A 13 6.070 -4.029 10.699 1.00 0.00 C ATOM 199 O ASP A 13 6.665 -3.967 11.775 1.00 0.00 O ATOM 200 CB ASP A 13 6.141 -5.996 9.094 1.00 0.00 C ATOM 201 CG ASP A 13 7.615 -6.304 9.427 1.00 0.00 C ATOM 202 OD1 ASP A 13 7.880 -7.212 10.244 1.00 0.00 O ATOM 203 OD2 ASP A 13 8.513 -5.633 8.880 1.00 0.00 O ATOM 0 H ASP A 13 3.863 -5.024 8.795 1.00 0.00 H new ATOM 0 HA ASP A 13 5.319 -6.008 11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.639 -6.925 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.105 -5.347 8.219 1.00 0.00 H new ATOM 208 N VAL A 14 5.965 -3.000 9.845 1.00 0.00 N ATOM 209 CA VAL A 14 6.623 -1.696 10.027 1.00 0.00 C ATOM 210 C VAL A 14 5.983 -0.914 11.191 1.00 0.00 C ATOM 211 O VAL A 14 6.683 -0.434 12.076 1.00 0.00 O ATOM 212 CB VAL A 14 6.559 -0.860 8.693 1.00 0.00 C ATOM 213 CG1 VAL A 14 7.088 0.576 8.883 1.00 0.00 C ATOM 214 CG2 VAL A 14 7.316 -1.583 7.546 1.00 0.00 C ATOM 0 H VAL A 14 5.409 -3.051 8.991 1.00 0.00 H new ATOM 0 HA VAL A 14 7.669 -1.872 10.276 1.00 0.00 H new ATOM 0 HB VAL A 14 5.508 -0.782 8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.025 1.115 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.487 1.089 9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.127 0.541 9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.256 -0.985 6.637 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.361 -1.714 7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.863 -2.558 7.369 1.00 0.00 H new ATOM 224 N LEU A 15 4.648 -0.815 11.179 1.00 0.00 N ATOM 225 CA LEU A 15 3.871 -0.094 12.221 1.00 0.00 C ATOM 226 C LEU A 15 3.733 -0.945 13.508 1.00 0.00 C ATOM 227 O LEU A 15 3.239 -0.445 14.525 1.00 0.00 O ATOM 228 CB LEU A 15 2.468 0.296 11.667 1.00 0.00 C ATOM 229 CG LEU A 15 2.348 1.560 10.743 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.501 1.691 9.741 1.00 0.00 C ATOM 231 CD2 LEU A 15 0.987 1.552 10.002 1.00 0.00 C ATOM 0 H LEU A 15 4.066 -1.229 10.451 1.00 0.00 H new ATOM 0 HA LEU A 15 4.412 0.815 12.483 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.083 -0.558 11.110 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.806 0.446 12.520 1.00 0.00 H new ATOM 0 HG LEU A 15 2.408 2.431 11.396 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.356 2.585 9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.445 1.768 10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.523 0.814 9.095 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.915 2.433 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.911 0.654 9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.176 1.564 10.730 1.00 0.00 H new ATOM 243 N ASN A 16 4.144 -2.231 13.425 1.00 0.00 N ATOM 244 CA ASN A 16 4.209 -3.167 14.570 1.00 0.00 C ATOM 245 C ASN A 16 2.786 -3.505 15.110 1.00 0.00 C ATOM 246 O ASN A 16 2.532 -3.517 16.321 1.00 0.00 O ATOM 247 CB ASN A 16 5.178 -2.626 15.674 1.00 0.00 C ATOM 248 CG ASN A 16 5.533 -3.632 16.787 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.705 -3.257 17.945 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.680 -4.906 16.443 1.00 0.00 N ATOM 0 H ASN A 16 4.444 -2.654 12.547 1.00 0.00 H new ATOM 0 HA ASN A 16 4.628 -4.112 14.225 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.101 -2.298 15.196 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.726 -1.746 16.132 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.941 -5.597 17.146 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.532 -5.193 15.476 1.00 0.00 H new ATOM 257 N LEU A 17 1.868 -3.774 14.161 1.00 0.00 N ATOM 258 CA LEU A 17 0.490 -4.265 14.435 1.00 0.00 C ATOM 259 C LEU A 17 0.518 -5.734 14.899 1.00 0.00 C ATOM 260 O LEU A 17 -0.301 -6.147 15.733 1.00 0.00 O ATOM 261 CB LEU A 17 -0.406 -4.118 13.157 1.00 0.00 C ATOM 262 CG LEU A 17 -1.079 -2.718 12.911 1.00 0.00 C ATOM 263 CD1 LEU A 17 -0.078 -1.565 13.056 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.776 -2.667 11.524 1.00 0.00 C ATOM 0 H LEU A 17 2.059 -3.657 13.166 1.00 0.00 H new ATOM 0 HA LEU A 17 0.064 -3.659 15.234 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.205 -4.357 12.286 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.195 -4.868 13.209 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.838 -2.591 13.683 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.586 -0.617 12.878 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.339 -1.569 14.063 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.726 -1.688 12.330 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.232 -1.687 11.382 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.039 -2.841 10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.546 -3.437 11.475 1.00 0.00 H new ATOM 276 N GLY A 18 1.457 -6.510 14.326 1.00 0.00 N ATOM 277 CA GLY A 18 1.606 -7.927 14.642 1.00 0.00 C ATOM 278 C GLY A 18 0.467 -8.791 14.112 1.00 0.00 C ATOM 279 O GLY A 18 0.511 -9.267 12.976 1.00 0.00 O ATOM 0 H GLY A 18 2.126 -6.167 13.636 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.548 -8.287 14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.668 -8.045 15.724 1.00 0.00 H new ATOM 283 N GLU A 19 -0.558 -8.979 14.947 1.00 0.00 N ATOM 284 CA GLU A 19 -1.729 -9.822 14.633 1.00 0.00 C ATOM 285 C GLU A 19 -2.896 -8.963 14.114 1.00 0.00 C ATOM 286 O GLU A 19 -3.798 -9.467 13.428 1.00 0.00 O ATOM 287 CB GLU A 19 -2.138 -10.599 15.906 1.00 0.00 C ATOM 288 CG GLU A 19 -3.208 -11.682 15.700 1.00 0.00 C ATOM 289 CD GLU A 19 -3.577 -12.406 17.005 1.00 0.00 C ATOM 290 OE1 GLU A 19 -2.757 -13.213 17.500 1.00 0.00 O ATOM 291 OE2 GLU A 19 -4.672 -12.168 17.547 1.00 0.00 O ATOM 0 H GLU A 19 -0.605 -8.549 15.871 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.470 -10.529 13.845 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.248 -11.066 16.328 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.504 -9.886 16.645 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.103 -11.227 15.276 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.847 -12.411 14.974 1.00 0.00 H new ATOM 298 N ARG A 20 -2.853 -7.650 14.436 1.00 0.00 N ATOM 299 CA ARG A 20 -3.890 -6.678 14.029 1.00 0.00 C ATOM 300 C ARG A 20 -3.951 -6.588 12.480 1.00 0.00 C ATOM 301 O ARG A 20 -5.035 -6.433 11.904 1.00 0.00 O ATOM 302 CB ARG A 20 -3.615 -5.293 14.706 1.00 0.00 C ATOM 303 CG ARG A 20 -4.782 -4.258 14.694 1.00 0.00 C ATOM 304 CD ARG A 20 -4.976 -3.528 13.351 1.00 0.00 C ATOM 305 NE ARG A 20 -6.092 -2.566 13.399 1.00 0.00 N ATOM 306 CZ ARG A 20 -7.234 -2.660 12.714 1.00 0.00 C ATOM 307 NH1 ARG A 20 -7.492 -3.716 11.960 1.00 0.00 N ATOM 308 NH2 ARG A 20 -8.133 -1.697 12.812 1.00 0.00 N ATOM 0 H ARG A 20 -2.099 -7.236 14.985 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.871 -7.012 14.368 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.331 -5.473 15.743 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.754 -4.840 14.214 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.709 -4.771 14.951 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.602 -3.517 15.473 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.057 -3.004 13.088 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.162 -4.260 12.565 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.982 -1.757 14.010 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.813 -4.475 11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.370 -3.772 11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.952 -0.889 13.408 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.008 -1.761 12.292 1.00 0.00 H new ATOM 322 N LYS A 21 -2.779 -6.733 11.829 1.00 0.00 N ATOM 323 CA LYS A 21 -2.663 -6.713 10.354 1.00 0.00 C ATOM 324 C LYS A 21 -3.315 -7.962 9.715 1.00 0.00 C ATOM 325 O LYS A 21 -3.806 -7.906 8.595 1.00 0.00 O ATOM 326 CB LYS A 21 -1.189 -6.607 9.919 1.00 0.00 C ATOM 327 CG LYS A 21 -0.342 -7.835 10.268 1.00 0.00 C ATOM 328 CD LYS A 21 1.074 -7.800 9.685 1.00 0.00 C ATOM 329 CE LYS A 21 1.762 -9.153 9.793 1.00 0.00 C ATOM 330 NZ LYS A 21 3.175 -9.113 9.329 1.00 0.00 N ATOM 0 H LYS A 21 -1.888 -6.867 12.308 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.199 -5.832 10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.150 -6.447 8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.746 -5.728 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.276 -7.922 11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.851 -8.729 9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.029 -7.497 8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.665 -7.049 10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.733 -9.490 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.210 -9.886 9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.749 -9.759 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.222 -9.407 8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.544 -8.145 9.422 1.00 0.00 H new ATOM 344 N HIS A 22 -3.308 -9.085 10.452 1.00 0.00 N ATOM 345 CA HIS A 22 -3.875 -10.363 9.981 1.00 0.00 C ATOM 346 C HIS A 22 -5.410 -10.323 10.049 1.00 0.00 C ATOM 347 O HIS A 22 -6.097 -10.790 9.138 1.00 0.00 O ATOM 348 CB HIS A 22 -3.322 -11.536 10.838 1.00 0.00 C ATOM 349 CG HIS A 22 -3.894 -12.894 10.488 1.00 0.00 C ATOM 350 ND1 HIS A 22 -3.458 -13.641 9.418 1.00 0.00 N ATOM 351 CD2 HIS A 22 -4.870 -13.634 11.078 1.00 0.00 C ATOM 352 CE1 HIS A 22 -4.134 -14.770 9.362 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.999 -14.791 10.355 1.00 0.00 N ATOM 0 H HIS A 22 -2.910 -9.134 11.390 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.582 -10.519 8.943 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.238 -11.572 10.725 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.526 -11.330 11.889 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.439 -13.361 11.955 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.001 -15.548 8.625 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.657 -15.545 10.553 1.00 0.00 H new ATOM 362 N THR A 23 -5.935 -9.737 11.135 1.00 0.00 N ATOM 363 CA THR A 23 -7.379 -9.741 11.437 1.00 0.00 C ATOM 364 C THR A 23 -8.125 -8.574 10.734 1.00 0.00 C ATOM 365 O THR A 23 -9.292 -8.296 11.048 1.00 0.00 O ATOM 366 CB THR A 23 -7.613 -9.732 12.995 1.00 0.00 C ATOM 367 OG1 THR A 23 -9.000 -9.948 13.322 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.141 -8.425 13.646 1.00 0.00 C ATOM 0 H THR A 23 -5.373 -9.246 11.830 1.00 0.00 H new ATOM 0 HA THR A 23 -7.803 -10.661 11.035 1.00 0.00 H new ATOM 0 HB THR A 23 -7.016 -10.553 13.393 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.566 -9.512 12.652 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.323 -8.467 14.720 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.075 -8.292 13.464 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.689 -7.586 13.217 1.00 0.00 H new ATOM 376 N LEU A 24 -7.466 -7.906 9.759 1.00 0.00 N ATOM 377 CA LEU A 24 -8.120 -6.891 8.904 1.00 0.00 C ATOM 378 C LEU A 24 -8.203 -7.366 7.437 1.00 0.00 C ATOM 379 O LEU A 24 -7.494 -8.295 7.026 1.00 0.00 O ATOM 380 CB LEU A 24 -7.437 -5.489 9.052 1.00 0.00 C ATOM 381 CG LEU A 24 -5.893 -5.345 8.793 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.519 -5.450 7.303 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.343 -4.022 9.385 1.00 0.00 C ATOM 0 H LEU A 24 -6.480 -8.053 9.545 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.146 -6.768 9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.946 -4.805 8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.632 -5.137 10.065 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.426 -6.187 9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.440 -5.343 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.829 -6.421 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.022 -4.661 6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.273 -3.953 9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.852 -3.177 8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.517 -4.005 10.461 1.00 0.00 H new ATOM 395 N THR A 25 -9.074 -6.698 6.663 1.00 0.00 N ATOM 396 CA THR A 25 -9.357 -7.023 5.247 1.00 0.00 C ATOM 397 C THR A 25 -9.084 -5.795 4.352 1.00 0.00 C ATOM 398 O THR A 25 -8.574 -4.786 4.831 1.00 0.00 O ATOM 399 CB THR A 25 -10.849 -7.480 5.092 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.715 -6.509 5.707 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.114 -8.865 5.706 1.00 0.00 C ATOM 0 H THR A 25 -9.613 -5.903 7.006 1.00 0.00 H new ATOM 0 HA THR A 25 -8.702 -7.836 4.935 1.00 0.00 H new ATOM 0 HB THR A 25 -11.054 -7.556 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.648 -6.794 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.163 -9.129 5.569 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.486 -9.607 5.214 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.882 -8.841 6.771 1.00 0.00 H new ATOM 409 N ALA A 26 -9.432 -5.891 3.047 1.00 0.00 N ATOM 410 CA ALA A 26 -9.235 -4.792 2.067 1.00 0.00 C ATOM 411 C ALA A 26 -10.035 -3.518 2.429 1.00 0.00 C ATOM 412 O ALA A 26 -9.690 -2.421 1.986 1.00 0.00 O ATOM 413 CB ALA A 26 -9.611 -5.260 0.654 1.00 0.00 C ATOM 0 H ALA A 26 -9.855 -6.727 2.644 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.177 -4.530 2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.461 -4.443 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.982 -6.104 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.657 -5.566 0.638 1.00 0.00 H new ATOM 419 N SER A 27 -11.100 -3.676 3.236 1.00 0.00 N ATOM 420 CA SER A 27 -11.973 -2.560 3.650 1.00 0.00 C ATOM 421 C SER A 27 -11.450 -1.832 4.915 1.00 0.00 C ATOM 422 O SER A 27 -12.080 -0.871 5.373 1.00 0.00 O ATOM 423 CB SER A 27 -13.409 -3.083 3.879 1.00 0.00 C ATOM 424 OG SER A 27 -13.937 -3.676 2.699 1.00 0.00 O ATOM 0 H SER A 27 -11.380 -4.579 3.619 1.00 0.00 H new ATOM 0 HA SER A 27 -11.972 -1.825 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.407 -3.815 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.052 -2.261 4.195 1.00 0.00 H new ATOM 0 HG SER A 27 -14.845 -3.999 2.874 1.00 0.00 H new ATOM 430 N SER A 28 -10.299 -2.276 5.465 1.00 0.00 N ATOM 431 CA SER A 28 -9.709 -1.668 6.676 1.00 0.00 C ATOM 432 C SER A 28 -9.093 -0.303 6.353 1.00 0.00 C ATOM 433 O SER A 28 -8.255 -0.196 5.458 1.00 0.00 O ATOM 434 CB SER A 28 -8.636 -2.588 7.287 1.00 0.00 C ATOM 435 OG SER A 28 -7.531 -2.771 6.415 1.00 0.00 O ATOM 0 H SER A 28 -9.759 -3.055 5.088 1.00 0.00 H new ATOM 0 HA SER A 28 -10.511 -1.533 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.288 -2.163 8.228 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.079 -3.557 7.519 1.00 0.00 H new ATOM 0 HG SER A 28 -7.739 -3.476 5.767 1.00 0.00 H new ATOM 441 N VAL A 29 -9.508 0.732 7.090 1.00 0.00 N ATOM 442 CA VAL A 29 -8.957 2.083 6.953 1.00 0.00 C ATOM 443 C VAL A 29 -7.589 2.110 7.649 1.00 0.00 C ATOM 444 O VAL A 29 -7.432 1.541 8.742 1.00 0.00 O ATOM 445 CB VAL A 29 -9.923 3.162 7.570 1.00 0.00 C ATOM 446 CG1 VAL A 29 -9.383 4.610 7.402 1.00 0.00 C ATOM 447 CG2 VAL A 29 -11.337 3.022 6.966 1.00 0.00 C ATOM 0 H VAL A 29 -10.237 0.656 7.800 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.846 2.329 5.897 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.977 2.975 8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.087 5.315 7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.418 4.699 7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.264 4.833 6.342 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.995 3.774 7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.287 3.165 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.729 2.028 7.183 1.00 0.00 H new ATOM 457 N LEU A 30 -6.593 2.731 7.004 1.00 0.00 N ATOM 458 CA LEU A 30 -5.210 2.745 7.509 1.00 0.00 C ATOM 459 C LEU A 30 -4.847 4.143 8.021 1.00 0.00 C ATOM 460 O LEU A 30 -4.679 4.342 9.227 1.00 0.00 O ATOM 461 CB LEU A 30 -4.236 2.263 6.405 1.00 0.00 C ATOM 462 CG LEU A 30 -4.566 0.866 5.784 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.549 0.505 4.695 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.652 -0.252 6.863 1.00 0.00 C ATOM 0 H LEU A 30 -6.719 3.234 6.126 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.124 2.056 8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.224 3.004 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.229 2.228 6.822 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.552 0.939 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.796 -0.470 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.578 1.257 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.549 0.471 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.883 -1.203 6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.697 -0.330 7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.436 -0.007 7.579 1.00 0.00 H new ATOM 476 N LEU A 31 -4.713 5.105 7.095 1.00 0.00 N ATOM 477 CA LEU A 31 -4.430 6.510 7.430 1.00 0.00 C ATOM 478 C LEU A 31 -5.597 7.083 8.267 1.00 0.00 C ATOM 479 O LEU A 31 -6.742 7.135 7.797 1.00 0.00 O ATOM 480 CB LEU A 31 -4.181 7.330 6.119 1.00 0.00 C ATOM 481 CG LEU A 31 -3.342 8.655 6.248 1.00 0.00 C ATOM 482 CD1 LEU A 31 -2.826 9.126 4.874 1.00 0.00 C ATOM 483 CD2 LEU A 31 -4.127 9.796 6.945 1.00 0.00 C ATOM 0 H LEU A 31 -4.798 4.931 6.093 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.524 6.580 8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.677 6.679 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.150 7.584 5.690 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.489 8.414 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.250 10.043 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.191 8.354 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.672 9.314 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.499 10.685 7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.024 10.024 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.410 9.482 7.950 1.00 0.00 H new ATOM 495 N GLY A 32 -5.288 7.469 9.515 1.00 0.00 N ATOM 496 CA GLY A 32 -6.265 8.045 10.442 1.00 0.00 C ATOM 497 C GLY A 32 -6.822 7.030 11.432 1.00 0.00 C ATOM 498 O GLY A 32 -7.133 7.381 12.575 1.00 0.00 O ATOM 0 H GLY A 32 -4.350 7.389 9.907 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.797 8.861 10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.088 8.476 9.871 1.00 0.00 H new ATOM 502 N ASN A 33 -6.953 5.770 10.992 1.00 0.00 N ATOM 503 CA ASN A 33 -7.558 4.691 11.802 1.00 0.00 C ATOM 504 C ASN A 33 -6.488 3.958 12.631 1.00 0.00 C ATOM 505 O ASN A 33 -6.695 3.691 13.824 1.00 0.00 O ATOM 506 CB ASN A 33 -8.323 3.728 10.870 1.00 0.00 C ATOM 507 CG ASN A 33 -8.984 2.543 11.583 1.00 0.00 C ATOM 508 OD1 ASN A 33 -10.082 2.662 12.123 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.359 1.372 11.524 1.00 0.00 N ATOM 0 H ASN A 33 -6.645 5.466 10.068 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.264 5.121 12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.091 4.290 10.339 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.632 3.344 10.119 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.790 0.543 11.933 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.448 1.302 11.070 1.00 0.00 H new ATOM 516 N ILE A 34 -5.346 3.637 11.995 1.00 0.00 N ATOM 517 CA ILE A 34 -4.211 2.995 12.678 1.00 0.00 C ATOM 518 C ILE A 34 -3.419 4.074 13.447 1.00 0.00 C ATOM 519 O ILE A 34 -2.898 5.009 12.820 1.00 0.00 O ATOM 520 CB ILE A 34 -3.236 2.250 11.683 1.00 0.00 C ATOM 521 CG1 ILE A 34 -4.015 1.290 10.720 1.00 0.00 C ATOM 522 CG2 ILE A 34 -2.134 1.483 12.457 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.794 0.163 11.392 1.00 0.00 C ATOM 0 H ILE A 34 -5.186 3.814 11.003 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.618 2.243 13.353 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.754 3.010 11.068 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.711 1.885 10.129 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.302 0.848 10.023 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.476 0.979 11.749 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.553 2.185 13.055 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.596 0.745 13.112 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.293 -0.438 10.632 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.108 -0.466 11.959 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.538 0.587 12.066 1.00 0.00 H new ATOM 535 N PRO A 35 -3.288 3.948 14.809 1.00 0.00 N ATOM 536 CA PRO A 35 -2.616 4.969 15.651 1.00 0.00 C ATOM 537 C PRO A 35 -1.087 5.012 15.439 1.00 0.00 C ATOM 538 O PRO A 35 -0.428 5.968 15.856 1.00 0.00 O ATOM 539 CB PRO A 35 -2.982 4.520 17.093 1.00 0.00 C ATOM 540 CG PRO A 35 -3.172 3.039 16.992 1.00 0.00 C ATOM 541 CD PRO A 35 -3.774 2.799 15.629 1.00 0.00 C ATOM 0 HA PRO A 35 -2.938 5.983 15.412 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.190 4.771 17.799 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.889 5.013 17.443 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.223 2.514 17.099 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.829 2.673 17.781 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.449 1.846 15.212 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.863 2.773 15.673 1.00 0.00 H new ATOM 549 N GLU A 36 -0.537 3.974 14.775 1.00 0.00 N ATOM 550 CA GLU A 36 0.915 3.808 14.591 1.00 0.00 C ATOM 551 C GLU A 36 1.374 4.402 13.250 1.00 0.00 C ATOM 552 O GLU A 36 2.583 4.556 13.015 1.00 0.00 O ATOM 553 CB GLU A 36 1.270 2.298 14.661 1.00 0.00 C ATOM 554 CG GLU A 36 0.663 1.528 15.855 1.00 0.00 C ATOM 555 CD GLU A 36 1.041 2.097 17.235 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.115 1.749 17.760 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.263 2.889 17.808 1.00 0.00 O ATOM 0 H GLU A 36 -1.090 3.228 14.352 1.00 0.00 H new ATOM 0 HA GLU A 36 1.434 4.344 15.386 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.940 1.822 13.738 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.355 2.199 14.701 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.423 1.530 15.759 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.985 0.488 15.803 1.00 0.00 H new ATOM 564 N LEU A 37 0.399 4.738 12.378 1.00 0.00 N ATOM 565 CA LEU A 37 0.677 5.254 11.033 1.00 0.00 C ATOM 566 C LEU A 37 0.956 6.769 11.132 1.00 0.00 C ATOM 567 O LEU A 37 0.037 7.588 11.072 1.00 0.00 O ATOM 568 CB LEU A 37 -0.505 4.903 10.065 1.00 0.00 C ATOM 569 CG LEU A 37 -0.204 4.989 8.519 1.00 0.00 C ATOM 570 CD1 LEU A 37 -1.153 4.087 7.702 1.00 0.00 C ATOM 571 CD2 LEU A 37 -0.263 6.433 7.987 1.00 0.00 C ATOM 0 H LEU A 37 -0.595 4.657 12.591 1.00 0.00 H new ATOM 0 HA LEU A 37 1.564 4.782 10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.840 3.891 10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.337 5.571 10.287 1.00 0.00 H new ATOM 0 HG LEU A 37 0.817 4.628 8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.914 4.174 6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.032 3.051 8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.184 4.399 7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.048 6.436 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.258 6.844 8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.476 7.043 8.507 1.00 0.00 H new ATOM 583 N ASP A 38 2.234 7.104 11.348 1.00 0.00 N ATOM 584 CA ASP A 38 2.749 8.485 11.452 1.00 0.00 C ATOM 585 C ASP A 38 3.429 8.868 10.119 1.00 0.00 C ATOM 586 O ASP A 38 3.550 8.021 9.231 1.00 0.00 O ATOM 587 CB ASP A 38 3.760 8.528 12.646 1.00 0.00 C ATOM 588 CG ASP A 38 4.357 9.922 12.946 1.00 0.00 C ATOM 589 OD1 ASP A 38 3.703 10.722 13.639 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.475 10.228 12.468 1.00 0.00 O ATOM 0 H ASP A 38 2.966 6.402 11.460 1.00 0.00 H new ATOM 0 HA ASP A 38 1.948 9.201 11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.257 8.164 13.542 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.577 7.837 12.436 1.00 0.00 H new ATOM 595 N SER A 39 3.847 10.141 9.995 1.00 0.00 N ATOM 596 CA SER A 39 4.617 10.667 8.851 1.00 0.00 C ATOM 597 C SER A 39 5.776 9.740 8.410 1.00 0.00 C ATOM 598 O SER A 39 5.754 9.175 7.316 1.00 0.00 O ATOM 599 CB SER A 39 5.170 12.070 9.205 1.00 0.00 C ATOM 600 OG SER A 39 4.171 13.093 9.065 1.00 0.00 O ATOM 0 H SER A 39 3.655 10.849 10.703 1.00 0.00 H new ATOM 0 HA SER A 39 3.931 10.725 8.006 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.543 12.065 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.017 12.300 8.559 1.00 0.00 H new ATOM 0 HG SER A 39 4.558 13.962 9.299 1.00 0.00 H new ATOM 605 N MET A 40 6.779 9.558 9.271 1.00 0.00 N ATOM 606 CA MET A 40 7.971 8.774 8.895 1.00 0.00 C ATOM 607 C MET A 40 7.653 7.270 8.792 1.00 0.00 C ATOM 608 O MET A 40 8.413 6.518 8.177 1.00 0.00 O ATOM 609 CB MET A 40 9.144 9.063 9.851 1.00 0.00 C ATOM 610 CG MET A 40 9.659 10.513 9.763 1.00 0.00 C ATOM 611 SD MET A 40 10.159 10.997 8.089 1.00 0.00 S ATOM 612 CE MET A 40 11.428 9.788 7.699 1.00 0.00 C ATOM 0 H MET A 40 6.797 9.933 10.219 1.00 0.00 H new ATOM 0 HA MET A 40 8.282 9.091 7.900 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.829 8.858 10.874 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.963 8.380 9.627 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.879 11.190 10.112 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.508 10.631 10.437 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.937 10.079 6.780 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.150 9.742 8.515 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.969 8.809 7.565 1.00 0.00 H new ATOM 622 N ALA A 41 6.510 6.860 9.373 1.00 0.00 N ATOM 623 CA ALA A 41 5.962 5.506 9.210 1.00 0.00 C ATOM 624 C ALA A 41 5.414 5.284 7.783 1.00 0.00 C ATOM 625 O ALA A 41 5.504 4.167 7.272 1.00 0.00 O ATOM 626 CB ALA A 41 4.875 5.232 10.258 1.00 0.00 C ATOM 0 H ALA A 41 5.942 7.462 9.969 1.00 0.00 H new ATOM 0 HA ALA A 41 6.777 4.799 9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.482 4.225 10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.302 5.321 11.257 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.068 5.955 10.142 1.00 0.00 H new ATOM 632 N VAL A 42 4.842 6.349 7.137 1.00 0.00 N ATOM 633 CA VAL A 42 4.381 6.247 5.725 1.00 0.00 C ATOM 634 C VAL A 42 5.607 6.093 4.806 1.00 0.00 C ATOM 635 O VAL A 42 5.585 5.319 3.856 1.00 0.00 O ATOM 636 CB VAL A 42 3.471 7.452 5.211 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.422 7.863 6.253 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.275 8.688 4.730 1.00 0.00 C ATOM 0 H VAL A 42 4.695 7.263 7.564 1.00 0.00 H new ATOM 0 HA VAL A 42 3.733 5.371 5.689 1.00 0.00 H new ATOM 0 HB VAL A 42 2.957 7.059 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.824 8.686 5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.773 7.015 6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.923 8.180 7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.585 9.463 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.881 9.070 5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.925 8.400 3.903 1.00 0.00 H new ATOM 648 N VAL A 43 6.689 6.834 5.128 1.00 0.00 N ATOM 649 CA VAL A 43 7.940 6.792 4.341 1.00 0.00 C ATOM 650 C VAL A 43 8.570 5.397 4.436 1.00 0.00 C ATOM 651 O VAL A 43 9.011 4.818 3.438 1.00 0.00 O ATOM 652 CB VAL A 43 8.968 7.876 4.836 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.208 7.959 3.909 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.279 9.252 4.988 1.00 0.00 C ATOM 0 H VAL A 43 6.721 7.468 5.927 1.00 0.00 H new ATOM 0 HA VAL A 43 7.691 7.012 3.303 1.00 0.00 H new ATOM 0 HB VAL A 43 9.329 7.569 5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.893 8.719 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.713 6.993 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.891 8.224 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.007 9.987 5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.874 9.564 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.470 9.176 5.715 1.00 0.00 H new ATOM 664 N ASN A 44 8.558 4.881 5.666 1.00 0.00 N ATOM 665 CA ASN A 44 9.161 3.594 6.026 1.00 0.00 C ATOM 666 C ASN A 44 8.441 2.400 5.354 1.00 0.00 C ATOM 667 O ASN A 44 9.099 1.444 4.914 1.00 0.00 O ATOM 668 CB ASN A 44 9.167 3.464 7.572 1.00 0.00 C ATOM 669 CG ASN A 44 10.126 2.403 8.122 1.00 0.00 C ATOM 670 OD1 ASN A 44 11.088 2.014 7.470 1.00 0.00 O ATOM 671 ND2 ASN A 44 9.899 1.975 9.350 1.00 0.00 N ATOM 0 H ASN A 44 8.120 5.354 6.456 1.00 0.00 H new ATOM 0 HA ASN A 44 10.185 3.567 5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.430 4.430 8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.157 3.230 7.907 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.533 1.302 9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.090 2.317 9.868 1.00 0.00 H new ATOM 678 N VAL A 45 7.089 2.455 5.274 1.00 0.00 N ATOM 679 CA VAL A 45 6.310 1.404 4.589 1.00 0.00 C ATOM 680 C VAL A 45 6.523 1.462 3.070 1.00 0.00 C ATOM 681 O VAL A 45 6.649 0.419 2.458 1.00 0.00 O ATOM 682 CB VAL A 45 4.766 1.413 4.912 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.503 1.133 6.398 1.00 0.00 C ATOM 684 CG2 VAL A 45 4.084 2.719 4.474 1.00 0.00 C ATOM 0 H VAL A 45 6.525 3.207 5.671 1.00 0.00 H new ATOM 0 HA VAL A 45 6.698 0.467 4.987 1.00 0.00 H new ATOM 0 HB VAL A 45 4.322 0.606 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.429 1.146 6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.905 0.155 6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.987 1.899 7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.023 2.675 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.542 3.561 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.204 2.849 3.398 1.00 0.00 H new ATOM 694 N ILE A 46 6.593 2.685 2.475 1.00 0.00 N ATOM 695 CA ILE A 46 6.808 2.843 1.009 1.00 0.00 C ATOM 696 C ILE A 46 8.164 2.228 0.604 1.00 0.00 C ATOM 697 O ILE A 46 8.259 1.503 -0.395 1.00 0.00 O ATOM 698 CB ILE A 46 6.745 4.352 0.543 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.333 4.958 0.816 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.111 4.505 -0.958 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.203 6.448 0.534 1.00 0.00 C ATOM 0 H ILE A 46 6.505 3.566 2.981 1.00 0.00 H new ATOM 0 HA ILE A 46 5.995 2.316 0.510 1.00 0.00 H new ATOM 0 HB ILE A 46 7.484 4.901 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.602 4.424 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.073 4.778 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.056 5.556 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.123 4.137 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.411 3.930 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.186 6.773 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.904 6.999 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.426 6.640 -0.515 1.00 0.00 H new ATOM 713 N THR A 47 9.186 2.504 1.435 1.00 0.00 N ATOM 714 CA THR A 47 10.533 1.929 1.280 1.00 0.00 C ATOM 715 C THR A 47 10.462 0.388 1.337 1.00 0.00 C ATOM 716 O THR A 47 11.051 -0.299 0.508 1.00 0.00 O ATOM 717 CB THR A 47 11.499 2.452 2.394 1.00 0.00 C ATOM 718 OG1 THR A 47 11.552 3.886 2.353 1.00 0.00 O ATOM 719 CG2 THR A 47 12.928 1.878 2.253 1.00 0.00 C ATOM 0 H THR A 47 9.100 3.133 2.233 1.00 0.00 H new ATOM 0 HA THR A 47 10.922 2.239 0.310 1.00 0.00 H new ATOM 0 HB THR A 47 11.103 2.114 3.352 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.716 4.255 2.707 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.559 2.272 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.892 0.791 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.342 2.166 1.287 1.00 0.00 H new ATOM 727 N ALA A 48 9.700 -0.121 2.314 1.00 0.00 N ATOM 728 CA ALA A 48 9.478 -1.562 2.497 1.00 0.00 C ATOM 729 C ALA A 48 8.742 -2.188 1.279 1.00 0.00 C ATOM 730 O ALA A 48 9.073 -3.289 0.852 1.00 0.00 O ATOM 731 CB ALA A 48 8.726 -1.795 3.808 1.00 0.00 C ATOM 0 H ALA A 48 9.218 0.457 3.003 1.00 0.00 H new ATOM 0 HA ALA A 48 10.442 -2.066 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.560 -2.863 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.316 -1.408 4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.766 -1.280 3.773 1.00 0.00 H new ATOM 737 N LEU A 49 7.793 -1.434 0.682 1.00 0.00 N ATOM 738 CA LEU A 49 7.066 -1.851 -0.548 1.00 0.00 C ATOM 739 C LEU A 49 8.069 -2.063 -1.715 1.00 0.00 C ATOM 740 O LEU A 49 7.943 -3.032 -2.486 1.00 0.00 O ATOM 741 CB LEU A 49 5.956 -0.799 -0.931 1.00 0.00 C ATOM 742 CG LEU A 49 4.490 -1.069 -0.431 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.957 -2.412 -0.956 1.00 0.00 C ATOM 744 CD2 LEU A 49 4.367 -0.999 1.095 1.00 0.00 C ATOM 0 H LEU A 49 7.506 -0.521 1.034 1.00 0.00 H new ATOM 0 HA LEU A 49 6.564 -2.798 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.268 0.172 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.930 -0.719 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 49 3.874 -0.269 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.941 -2.568 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.954 -2.401 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.597 -3.221 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.335 -1.193 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.018 -1.747 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.661 -0.007 1.439 1.00 0.00 H new ATOM 756 N GLU A 50 9.074 -1.154 -1.796 1.00 0.00 N ATOM 757 CA GLU A 50 10.205 -1.267 -2.752 1.00 0.00 C ATOM 758 C GLU A 50 10.961 -2.594 -2.539 1.00 0.00 C ATOM 759 O GLU A 50 11.174 -3.352 -3.492 1.00 0.00 O ATOM 760 CB GLU A 50 11.219 -0.097 -2.575 1.00 0.00 C ATOM 761 CG GLU A 50 10.628 1.317 -2.614 1.00 0.00 C ATOM 762 CD GLU A 50 10.099 1.713 -3.990 1.00 0.00 C ATOM 763 OE1 GLU A 50 10.915 2.150 -4.834 1.00 0.00 O ATOM 764 OE2 GLU A 50 8.884 1.616 -4.226 1.00 0.00 O ATOM 0 H GLU A 50 9.123 -0.326 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 50 9.780 -1.229 -3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.732 -0.229 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.974 -0.175 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.818 1.385 -1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.392 2.031 -2.307 1.00 0.00 H new ATOM 771 N GLU A 51 11.335 -2.853 -1.262 1.00 0.00 N ATOM 772 CA GLU A 51 12.186 -4.002 -0.876 1.00 0.00 C ATOM 773 C GLU A 51 11.545 -5.346 -1.292 1.00 0.00 C ATOM 774 O GLU A 51 12.220 -6.227 -1.824 1.00 0.00 O ATOM 775 CB GLU A 51 12.453 -4.026 0.665 1.00 0.00 C ATOM 776 CG GLU A 51 12.883 -2.690 1.304 1.00 0.00 C ATOM 777 CD GLU A 51 14.128 -2.044 0.674 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.258 -2.403 1.063 1.00 0.00 O ATOM 779 OE2 GLU A 51 13.982 -1.169 -0.202 1.00 0.00 O ATOM 0 H GLU A 51 11.055 -2.271 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 51 13.132 -3.876 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.546 -4.368 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.227 -4.767 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.053 -1.987 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.074 -2.856 2.364 1.00 0.00 H new ATOM 786 N TYR A 52 10.237 -5.486 -1.027 1.00 0.00 N ATOM 787 CA TYR A 52 9.514 -6.760 -1.221 1.00 0.00 C ATOM 788 C TYR A 52 9.090 -6.981 -2.684 1.00 0.00 C ATOM 789 O TYR A 52 9.446 -8.005 -3.281 1.00 0.00 O ATOM 790 CB TYR A 52 8.293 -6.841 -0.269 1.00 0.00 C ATOM 791 CG TYR A 52 8.672 -7.026 1.216 1.00 0.00 C ATOM 792 CD1 TYR A 52 9.335 -6.023 1.923 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.380 -8.201 1.903 1.00 0.00 C ATOM 794 CE1 TYR A 52 9.689 -6.176 3.242 1.00 0.00 C ATOM 795 CE2 TYR A 52 8.734 -8.360 3.228 1.00 0.00 C ATOM 796 CZ TYR A 52 9.385 -7.343 3.892 1.00 0.00 C ATOM 797 OH TYR A 52 9.735 -7.499 5.214 1.00 0.00 O ATOM 0 H TYR A 52 9.652 -4.728 -0.675 1.00 0.00 H new ATOM 0 HA TYR A 52 10.207 -7.564 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.702 -5.931 -0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.657 -7.671 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.577 -5.099 1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.868 -9.002 1.391 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.203 -5.382 3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.501 -9.280 3.743 1.00 0.00 H new ATOM 0 HH TYR A 52 9.447 -8.382 5.527 1.00 0.00 H new ATOM 807 N PHE A 53 8.336 -6.024 -3.266 1.00 0.00 N ATOM 808 CA PHE A 53 7.737 -6.204 -4.607 1.00 0.00 C ATOM 809 C PHE A 53 8.723 -5.861 -5.749 1.00 0.00 C ATOM 810 O PHE A 53 8.489 -6.263 -6.900 1.00 0.00 O ATOM 811 CB PHE A 53 6.460 -5.351 -4.748 1.00 0.00 C ATOM 812 CG PHE A 53 5.261 -5.786 -3.892 1.00 0.00 C ATOM 813 CD1 PHE A 53 5.166 -5.428 -2.549 1.00 0.00 C ATOM 814 CD2 PHE A 53 4.215 -6.533 -4.442 1.00 0.00 C ATOM 815 CE1 PHE A 53 4.065 -5.802 -1.791 1.00 0.00 C ATOM 816 CE2 PHE A 53 3.121 -6.899 -3.685 1.00 0.00 C ATOM 817 CZ PHE A 53 3.044 -6.532 -2.360 1.00 0.00 C ATOM 0 H PHE A 53 8.128 -5.125 -2.832 1.00 0.00 H new ATOM 0 HA PHE A 53 7.485 -7.261 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.706 -4.320 -4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.156 -5.359 -5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.958 -4.853 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.264 -6.829 -5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.008 -5.520 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.324 -7.474 -4.132 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.186 -6.815 -1.768 1.00 0.00 H new ATOM 827 N ASP A 54 9.801 -5.110 -5.418 1.00 0.00 N ATOM 828 CA ASP A 54 10.846 -4.674 -6.380 1.00 0.00 C ATOM 829 C ASP A 54 10.248 -3.815 -7.506 1.00 0.00 C ATOM 830 O ASP A 54 10.315 -4.164 -8.690 1.00 0.00 O ATOM 831 CB ASP A 54 11.670 -5.877 -6.943 1.00 0.00 C ATOM 832 CG ASP A 54 12.577 -6.532 -5.891 1.00 0.00 C ATOM 833 OD1 ASP A 54 12.057 -7.215 -4.994 1.00 0.00 O ATOM 834 OD2 ASP A 54 13.817 -6.379 -5.960 1.00 0.00 O ATOM 0 H ASP A 54 9.973 -4.786 -4.466 1.00 0.00 H new ATOM 0 HA ASP A 54 11.547 -4.048 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.984 -6.626 -7.339 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.281 -5.532 -7.777 1.00 0.00 H new ATOM 839 N PHE A 55 9.625 -2.709 -7.106 1.00 0.00 N ATOM 840 CA PHE A 55 9.126 -1.673 -8.029 1.00 0.00 C ATOM 841 C PHE A 55 9.628 -0.298 -7.572 1.00 0.00 C ATOM 842 O PHE A 55 10.472 -0.204 -6.676 1.00 0.00 O ATOM 843 CB PHE A 55 7.562 -1.725 -8.128 1.00 0.00 C ATOM 844 CG PHE A 55 6.760 -1.679 -6.809 1.00 0.00 C ATOM 845 CD1 PHE A 55 7.083 -0.813 -5.765 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.653 -2.495 -6.631 1.00 0.00 C ATOM 847 CE1 PHE A 55 6.335 -0.767 -4.620 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.899 -2.445 -5.479 1.00 0.00 C ATOM 849 CZ PHE A 55 5.245 -1.581 -4.472 1.00 0.00 C ATOM 0 H PHE A 55 9.447 -2.498 -6.124 1.00 0.00 H new ATOM 0 HA PHE A 55 9.512 -1.860 -9.031 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.237 -0.890 -8.748 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.289 -2.639 -8.655 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.942 -0.165 -5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.375 -3.186 -7.414 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.607 -0.084 -3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.036 -3.086 -5.369 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.659 -1.543 -3.565 1.00 0.00 H new ATOM 859 N SER A 56 9.120 0.760 -8.211 1.00 0.00 N ATOM 860 CA SER A 56 9.272 2.136 -7.710 1.00 0.00 C ATOM 861 C SER A 56 7.907 2.836 -7.628 1.00 0.00 C ATOM 862 O SER A 56 7.297 3.111 -8.664 1.00 0.00 O ATOM 863 CB SER A 56 10.241 2.915 -8.621 1.00 0.00 C ATOM 864 OG SER A 56 11.525 2.308 -8.625 1.00 0.00 O ATOM 0 H SER A 56 8.595 0.692 -9.083 1.00 0.00 H new ATOM 0 HA SER A 56 9.688 2.106 -6.703 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.846 2.948 -9.636 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.322 3.946 -8.277 1.00 0.00 H new ATOM 0 HG SER A 56 12.125 2.816 -9.210 1.00 0.00 H new ATOM 870 N VAL A 57 7.431 3.118 -6.388 1.00 0.00 N ATOM 871 CA VAL A 57 6.207 3.903 -6.156 1.00 0.00 C ATOM 872 C VAL A 57 6.482 5.362 -6.562 1.00 0.00 C ATOM 873 O VAL A 57 7.303 6.043 -5.935 1.00 0.00 O ATOM 874 CB VAL A 57 5.725 3.848 -4.648 1.00 0.00 C ATOM 875 CG1 VAL A 57 4.429 4.661 -4.438 1.00 0.00 C ATOM 876 CG2 VAL A 57 5.533 2.401 -4.160 1.00 0.00 C ATOM 0 H VAL A 57 7.887 2.806 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 57 5.407 3.472 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 57 6.515 4.302 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.127 4.601 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.606 5.703 -4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.638 4.254 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.202 2.408 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.783 1.906 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.478 1.863 -4.236 1.00 0.00 H new ATOM 886 N ASP A 58 5.817 5.807 -7.630 1.00 0.00 N ATOM 887 CA ASP A 58 6.040 7.138 -8.222 1.00 0.00 C ATOM 888 C ASP A 58 5.350 8.244 -7.389 1.00 0.00 C ATOM 889 O ASP A 58 4.350 7.994 -6.730 1.00 0.00 O ATOM 890 CB ASP A 58 5.539 7.141 -9.687 1.00 0.00 C ATOM 891 CG ASP A 58 5.762 8.483 -10.399 1.00 0.00 C ATOM 892 OD1 ASP A 58 6.916 8.962 -10.427 1.00 0.00 O ATOM 893 OD2 ASP A 58 4.795 9.077 -10.904 1.00 0.00 O ATOM 0 H ASP A 58 5.106 5.258 -8.113 1.00 0.00 H new ATOM 0 HA ASP A 58 7.108 7.354 -8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.050 6.354 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.476 6.902 -9.701 1.00 0.00 H new ATOM 898 N ASP A 59 5.908 9.469 -7.428 1.00 0.00 N ATOM 899 CA ASP A 59 5.391 10.628 -6.670 1.00 0.00 C ATOM 900 C ASP A 59 3.932 10.987 -7.059 1.00 0.00 C ATOM 901 O ASP A 59 3.143 11.406 -6.202 1.00 0.00 O ATOM 902 CB ASP A 59 6.334 11.841 -6.879 1.00 0.00 C ATOM 903 CG ASP A 59 5.929 13.070 -6.049 1.00 0.00 C ATOM 904 OD1 ASP A 59 6.295 13.137 -4.860 1.00 0.00 O ATOM 905 OD2 ASP A 59 5.229 13.965 -6.574 1.00 0.00 O ATOM 0 H ASP A 59 6.733 9.685 -7.988 1.00 0.00 H new ATOM 0 HA ASP A 59 5.370 10.358 -5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.352 11.552 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.342 12.110 -7.935 1.00 0.00 H new ATOM 910 N ASP A 60 3.577 10.769 -8.343 1.00 0.00 N ATOM 911 CA ASP A 60 2.269 11.176 -8.905 1.00 0.00 C ATOM 912 C ASP A 60 1.119 10.302 -8.370 1.00 0.00 C ATOM 913 O ASP A 60 0.002 10.791 -8.192 1.00 0.00 O ATOM 914 CB ASP A 60 2.308 11.129 -10.458 1.00 0.00 C ATOM 915 CG ASP A 60 1.044 11.696 -11.137 1.00 0.00 C ATOM 916 OD1 ASP A 60 0.749 12.890 -10.936 1.00 0.00 O ATOM 917 OD2 ASP A 60 0.341 10.951 -11.861 1.00 0.00 O ATOM 0 H ASP A 60 4.186 10.307 -9.018 1.00 0.00 H new ATOM 0 HA ASP A 60 2.079 12.201 -8.585 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.176 11.688 -10.806 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.446 10.096 -10.776 1.00 0.00 H new ATOM 922 N GLU A 61 1.412 9.024 -8.083 1.00 0.00 N ATOM 923 CA GLU A 61 0.396 8.057 -7.596 1.00 0.00 C ATOM 924 C GLU A 61 0.239 8.149 -6.065 1.00 0.00 C ATOM 925 O GLU A 61 -0.783 7.724 -5.516 1.00 0.00 O ATOM 926 CB GLU A 61 0.763 6.610 -8.033 1.00 0.00 C ATOM 927 CG GLU A 61 2.088 6.086 -7.459 1.00 0.00 C ATOM 928 CD GLU A 61 2.549 4.753 -8.059 1.00 0.00 C ATOM 929 OE1 GLU A 61 2.952 4.742 -9.246 1.00 0.00 O ATOM 930 OE2 GLU A 61 2.551 3.727 -7.354 1.00 0.00 O ATOM 0 H GLU A 61 2.347 8.628 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.563 8.314 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.040 5.938 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.814 6.575 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.864 6.834 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.983 5.969 -6.380 1.00 0.00 H new ATOM 937 N ILE A 62 1.265 8.706 -5.390 1.00 0.00 N ATOM 938 CA ILE A 62 1.251 8.922 -3.933 1.00 0.00 C ATOM 939 C ILE A 62 0.311 10.082 -3.555 1.00 0.00 C ATOM 940 O ILE A 62 0.450 11.195 -4.069 1.00 0.00 O ATOM 941 CB ILE A 62 2.690 9.236 -3.375 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.660 8.041 -3.599 1.00 0.00 C ATOM 943 CG2 ILE A 62 2.642 9.614 -1.876 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.078 8.266 -3.098 1.00 0.00 C ATOM 0 H ILE A 62 2.125 9.018 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 62 0.891 7.996 -3.485 1.00 0.00 H new ATOM 0 HB ILE A 62 3.070 10.092 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.250 7.161 -3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.698 7.817 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.651 9.825 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.019 10.498 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.222 8.786 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.680 7.379 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.513 9.123 -3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.059 8.457 -2.025 1.00 0.00 H new ATOM 956 N SER A 63 -0.647 9.785 -2.675 1.00 0.00 N ATOM 957 CA SER A 63 -1.460 10.782 -1.976 1.00 0.00 C ATOM 958 C SER A 63 -1.831 10.252 -0.576 1.00 0.00 C ATOM 959 O SER A 63 -1.510 9.103 -0.227 1.00 0.00 O ATOM 960 CB SER A 63 -2.731 11.077 -2.807 1.00 0.00 C ATOM 961 OG SER A 63 -3.530 9.912 -2.971 1.00 0.00 O ATOM 0 H SER A 63 -0.884 8.825 -2.423 1.00 0.00 H new ATOM 0 HA SER A 63 -0.897 11.708 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.316 11.854 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.445 11.464 -3.785 1.00 0.00 H new ATOM 0 HG SER A 63 -2.955 9.119 -2.975 1.00 0.00 H new ATOM 967 N ALA A 64 -2.511 11.097 0.221 1.00 0.00 N ATOM 968 CA ALA A 64 -3.140 10.677 1.495 1.00 0.00 C ATOM 969 C ALA A 64 -4.206 9.597 1.231 1.00 0.00 C ATOM 970 O ALA A 64 -4.344 8.625 1.982 1.00 0.00 O ATOM 971 CB ALA A 64 -3.760 11.888 2.224 1.00 0.00 C ATOM 0 H ALA A 64 -2.642 12.085 0.005 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.369 10.254 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.216 11.557 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.982 12.620 2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.520 12.344 1.590 1.00 0.00 H new ATOM 977 N GLN A 65 -4.896 9.763 0.092 1.00 0.00 N ATOM 978 CA GLN A 65 -6.016 8.905 -0.328 1.00 0.00 C ATOM 979 C GLN A 65 -5.505 7.576 -0.925 1.00 0.00 C ATOM 980 O GLN A 65 -6.292 6.680 -1.211 1.00 0.00 O ATOM 981 CB GLN A 65 -6.934 9.682 -1.320 1.00 0.00 C ATOM 982 CG GLN A 65 -7.206 11.146 -0.891 1.00 0.00 C ATOM 983 CD GLN A 65 -7.751 11.296 0.539 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.531 10.475 1.015 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.271 12.297 1.265 1.00 0.00 N ATOM 0 H GLN A 65 -4.689 10.508 -0.573 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.612 8.644 0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.472 9.681 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.884 9.156 -1.412 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.280 11.715 -0.976 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.918 11.590 -1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.624 12.966 0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.548 12.398 2.241 1.00 0.00 H new ATOM 994 N THR A 66 -4.178 7.473 -1.139 1.00 0.00 N ATOM 995 CA THR A 66 -3.525 6.203 -1.488 1.00 0.00 C ATOM 996 C THR A 66 -3.526 5.267 -0.262 1.00 0.00 C ATOM 997 O THR A 66 -3.724 4.058 -0.395 1.00 0.00 O ATOM 998 CB THR A 66 -2.063 6.459 -1.982 1.00 0.00 C ATOM 999 OG1 THR A 66 -2.107 7.336 -3.114 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.296 5.174 -2.361 1.00 0.00 C ATOM 0 H THR A 66 -3.536 8.263 -1.075 1.00 0.00 H new ATOM 0 HA THR A 66 -4.079 5.728 -2.298 1.00 0.00 H new ATOM 0 HB THR A 66 -1.520 6.904 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.409 7.081 -3.753 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.291 5.435 -2.693 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.232 4.519 -1.492 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.822 4.660 -3.165 1.00 0.00 H new ATOM 1008 N PHE A 67 -3.326 5.856 0.943 1.00 0.00 N ATOM 1009 CA PHE A 67 -3.253 5.103 2.217 1.00 0.00 C ATOM 1010 C PHE A 67 -4.583 5.101 2.981 1.00 0.00 C ATOM 1011 O PHE A 67 -4.609 4.715 4.152 1.00 0.00 O ATOM 1012 CB PHE A 67 -2.112 5.665 3.108 1.00 0.00 C ATOM 1013 CG PHE A 67 -0.721 5.409 2.536 1.00 0.00 C ATOM 1014 CD1 PHE A 67 -0.232 6.169 1.474 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.084 4.388 3.042 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.012 5.916 0.937 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.327 4.135 2.498 1.00 0.00 C ATOM 1018 CZ PHE A 67 1.792 4.901 1.450 1.00 0.00 C ATOM 0 H PHE A 67 -3.211 6.863 1.057 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.036 4.065 1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.254 6.738 3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.179 5.216 4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.836 6.966 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.269 3.789 3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.376 6.513 0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.936 3.336 2.894 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.768 4.706 1.031 1.00 0.00 H new ATOM 1028 N GLU A 68 -5.685 5.483 2.309 1.00 0.00 N ATOM 1029 CA GLU A 68 -7.013 5.584 2.952 1.00 0.00 C ATOM 1030 C GLU A 68 -7.487 4.202 3.467 1.00 0.00 C ATOM 1031 O GLU A 68 -7.974 4.090 4.591 1.00 0.00 O ATOM 1032 CB GLU A 68 -8.068 6.214 1.997 1.00 0.00 C ATOM 1033 CG GLU A 68 -8.401 5.378 0.750 1.00 0.00 C ATOM 1034 CD GLU A 68 -9.556 5.951 -0.084 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -10.726 5.668 0.246 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -9.308 6.685 -1.063 1.00 0.00 O ATOM 0 H GLU A 68 -5.684 5.728 1.319 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.910 6.249 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.987 6.384 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.706 7.190 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.512 5.306 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.656 4.364 1.060 1.00 0.00 H new ATOM 1043 N THR A 69 -7.314 3.154 2.641 1.00 0.00 N ATOM 1044 CA THR A 69 -7.698 1.779 2.992 1.00 0.00 C ATOM 1045 C THR A 69 -6.699 0.770 2.388 1.00 0.00 C ATOM 1046 O THR A 69 -5.941 1.109 1.464 1.00 0.00 O ATOM 1047 CB THR A 69 -9.167 1.479 2.516 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.623 0.210 3.003 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.315 1.489 0.987 1.00 0.00 C ATOM 0 H THR A 69 -6.903 3.239 1.711 1.00 0.00 H new ATOM 0 HA THR A 69 -7.669 1.674 4.076 1.00 0.00 H new ATOM 0 HB THR A 69 -9.775 2.284 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.171 0.002 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.350 1.276 0.720 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.035 2.469 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.665 0.729 0.554 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.706 -0.472 2.924 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.814 -1.562 2.473 1.00 0.00 C ATOM 1059 C LEU A 70 -6.037 -1.880 0.988 1.00 0.00 C ATOM 1060 O LEU A 70 -5.087 -2.181 0.251 1.00 0.00 O ATOM 1061 CB LEU A 70 -6.044 -2.845 3.318 1.00 0.00 C ATOM 1062 CG LEU A 70 -5.097 -4.038 2.973 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.642 -3.698 3.341 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.564 -5.354 3.633 1.00 0.00 C ATOM 0 H LEU A 70 -7.331 -0.746 3.682 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.787 -1.223 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.921 -2.595 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.076 -3.169 3.186 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.142 -4.199 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.997 -4.541 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.321 -2.819 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.575 -3.492 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.878 -6.158 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.579 -5.233 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.566 -5.602 3.282 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.315 -1.796 0.579 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.725 -2.045 -0.795 1.00 0.00 C ATOM 1078 C GLY A 71 -7.097 -1.059 -1.762 1.00 0.00 C ATOM 1079 O GLY A 71 -6.773 -1.419 -2.886 1.00 0.00 O ATOM 0 H GLY A 71 -8.086 -1.553 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.445 -3.060 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.811 -1.982 -0.867 1.00 0.00 H new ATOM 1083 N SER A 72 -6.901 0.193 -1.299 1.00 0.00 N ATOM 1084 CA SER A 72 -6.263 1.245 -2.095 1.00 0.00 C ATOM 1085 C SER A 72 -4.804 0.888 -2.392 1.00 0.00 C ATOM 1086 O SER A 72 -4.424 0.834 -3.559 1.00 0.00 O ATOM 1087 CB SER A 72 -6.378 2.609 -1.392 1.00 0.00 C ATOM 1088 OG SER A 72 -7.733 3.007 -1.310 1.00 0.00 O ATOM 0 H SER A 72 -7.182 0.495 -0.366 1.00 0.00 H new ATOM 0 HA SER A 72 -6.786 1.321 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.949 2.547 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.805 3.357 -1.939 1.00 0.00 H new ATOM 0 HG SER A 72 -7.824 3.926 -1.638 1.00 0.00 H new ATOM 1094 N LEU A 73 -4.005 0.577 -1.338 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.579 0.191 -1.518 1.00 0.00 C ATOM 1096 C LEU A 73 -2.468 -1.049 -2.411 1.00 0.00 C ATOM 1097 O LEU A 73 -1.568 -1.130 -3.245 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.853 -0.099 -0.175 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.543 1.102 0.763 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.789 2.226 0.020 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.812 1.613 1.451 1.00 0.00 C ATOM 0 H LEU A 73 -4.318 0.585 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.093 1.047 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.459 -0.812 0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.910 -0.594 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.876 0.744 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.590 3.048 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.154 1.839 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.398 2.586 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.561 2.452 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.529 1.938 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.250 0.812 2.047 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.409 -1.998 -2.219 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.503 -3.209 -3.036 1.00 0.00 C ATOM 1115 C ALA A 74 -3.678 -2.844 -4.512 1.00 0.00 C ATOM 1116 O ALA A 74 -2.963 -3.361 -5.343 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.642 -4.117 -2.561 1.00 0.00 C ATOM 0 H ALA A 74 -4.121 -1.938 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.572 -3.764 -2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.684 -5.007 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.466 -4.411 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.588 -3.580 -2.629 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.580 -1.880 -4.792 1.00 0.00 N ATOM 1124 CA LEU A 75 -4.887 -1.406 -6.163 1.00 0.00 C ATOM 1125 C LEU A 75 -3.626 -0.836 -6.843 1.00 0.00 C ATOM 1126 O LEU A 75 -3.289 -1.229 -7.963 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.050 -0.344 -6.150 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.457 -0.844 -6.607 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.428 -1.300 -8.080 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -7.996 -1.955 -5.686 1.00 0.00 C ATOM 0 H LEU A 75 -5.121 -1.404 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.226 -2.263 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.140 0.050 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.759 0.488 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.145 -0.002 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.420 -1.644 -8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.131 -0.464 -8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.713 -2.115 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.977 -2.275 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.311 -2.803 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.082 -1.574 -4.668 1.00 0.00 H new ATOM 1142 N PHE A 76 -2.917 0.065 -6.134 1.00 0.00 N ATOM 1143 CA PHE A 76 -1.700 0.716 -6.664 1.00 0.00 C ATOM 1144 C PHE A 76 -0.604 -0.324 -6.968 1.00 0.00 C ATOM 1145 O PHE A 76 -0.057 -0.330 -8.074 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.182 1.817 -5.691 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.050 3.081 -5.703 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.147 3.211 -4.858 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -1.779 4.126 -6.582 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -3.943 4.338 -4.883 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.576 5.252 -6.612 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.658 5.359 -5.761 1.00 0.00 C ATOM 0 H PHE A 76 -3.167 0.360 -5.190 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.963 1.204 -7.602 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.150 1.414 -4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.160 2.082 -5.961 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.381 2.414 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.933 4.054 -7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.788 4.419 -4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.353 6.052 -7.303 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.279 6.242 -5.784 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.340 -1.236 -6.009 1.00 0.00 N ATOM 1163 CA VAL A 77 0.702 -2.273 -6.164 1.00 0.00 C ATOM 1164 C VAL A 77 0.296 -3.338 -7.213 1.00 0.00 C ATOM 1165 O VAL A 77 1.168 -3.949 -7.827 1.00 0.00 O ATOM 1166 CB VAL A 77 1.126 -2.938 -4.800 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.587 -1.864 -3.781 1.00 0.00 C ATOM 1168 CG2 VAL A 77 0.007 -3.809 -4.216 1.00 0.00 C ATOM 0 H VAL A 77 -0.835 -1.275 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 77 1.587 -1.756 -6.536 1.00 0.00 H new ATOM 0 HB VAL A 77 1.970 -3.596 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.875 -2.348 -2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.441 -1.321 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.770 -1.167 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.341 -4.248 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.876 -3.195 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.241 -4.603 -4.920 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.028 -3.553 -7.422 1.00 0.00 N ATOM 1179 CA GLU A 78 -1.526 -4.387 -8.543 1.00 0.00 C ATOM 1180 C GLU A 78 -1.043 -3.774 -9.864 1.00 0.00 C ATOM 1181 O GLU A 78 -0.397 -4.449 -10.661 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.084 -4.510 -8.579 1.00 0.00 C ATOM 1183 CG GLU A 78 -3.748 -5.343 -7.457 1.00 0.00 C ATOM 1184 CD GLU A 78 -3.388 -6.841 -7.417 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -3.017 -7.418 -8.455 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.498 -7.461 -6.331 1.00 0.00 O ATOM 0 H GLU A 78 -1.764 -3.163 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.132 -5.393 -8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.504 -3.505 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.368 -4.945 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.480 -4.901 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.830 -5.253 -7.558 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.309 -2.459 -10.026 1.00 0.00 N ATOM 1194 CA HIS A 79 -0.950 -1.697 -11.240 1.00 0.00 C ATOM 1195 C HIS A 79 0.565 -1.732 -11.518 1.00 0.00 C ATOM 1196 O HIS A 79 0.973 -1.832 -12.675 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.458 -0.227 -11.154 1.00 0.00 C ATOM 1198 CG HIS A 79 -2.953 -0.062 -11.336 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.508 0.906 -12.147 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.004 -0.730 -10.798 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -4.822 0.822 -12.097 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.146 -0.159 -11.286 1.00 0.00 N ATOM 0 H HIS A 79 -1.779 -1.896 -9.317 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.448 -2.185 -12.078 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.176 0.184 -10.185 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.946 0.365 -11.913 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.949 -1.561 -10.110 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.516 1.453 -12.633 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.097 -0.448 -11.057 1.00 0.00 H new ATOM 1211 N LYS A 80 1.383 -1.680 -10.450 1.00 0.00 N ATOM 1212 CA LYS A 80 2.858 -1.723 -10.574 1.00 0.00 C ATOM 1213 C LYS A 80 3.313 -3.026 -11.258 1.00 0.00 C ATOM 1214 O LYS A 80 3.996 -3.005 -12.284 1.00 0.00 O ATOM 1215 CB LYS A 80 3.547 -1.612 -9.188 1.00 0.00 C ATOM 1216 CG LYS A 80 3.099 -0.431 -8.311 1.00 0.00 C ATOM 1217 CD LYS A 80 3.268 0.939 -8.980 1.00 0.00 C ATOM 1218 CE LYS A 80 4.732 1.316 -9.248 1.00 0.00 C ATOM 1219 NZ LYS A 80 4.837 2.684 -9.814 1.00 0.00 N ATOM 0 H LYS A 80 1.050 -1.608 -9.489 1.00 0.00 H new ATOM 0 HA LYS A 80 3.152 -0.869 -11.184 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.368 -2.536 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.623 -1.537 -9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.051 -0.567 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.670 -0.444 -7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.722 0.943 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.815 1.702 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.301 1.258 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.175 0.598 -9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.674 3.160 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.927 2.626 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.984 3.227 -9.571 1.00 0.00 H new ATOM 1233 N LEU A 81 2.881 -4.159 -10.683 1.00 0.00 N ATOM 1234 CA LEU A 81 3.279 -5.500 -11.155 1.00 0.00 C ATOM 1235 C LEU A 81 2.515 -5.911 -12.437 1.00 0.00 C ATOM 1236 O LEU A 81 2.921 -6.857 -13.119 1.00 0.00 O ATOM 1237 CB LEU A 81 3.123 -6.567 -10.027 1.00 0.00 C ATOM 1238 CG LEU A 81 4.150 -6.498 -8.832 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.616 -6.419 -9.319 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.830 -5.363 -7.847 1.00 0.00 C ATOM 0 H LEU A 81 2.249 -4.175 -9.882 1.00 0.00 H new ATOM 0 HA LEU A 81 4.336 -5.450 -11.417 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.117 -6.481 -9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.198 -7.555 -10.482 1.00 0.00 H new ATOM 0 HG LEU A 81 4.039 -7.437 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.283 -6.373 -8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.850 -7.302 -9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.749 -5.526 -9.929 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.567 -5.360 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.860 -4.408 -8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.836 -5.515 -7.427 1.00 0.00 H new ATOM 1252 N SER A 82 1.434 -5.186 -12.778 1.00 0.00 N ATOM 1253 CA SER A 82 0.679 -5.418 -14.028 1.00 0.00 C ATOM 1254 C SER A 82 1.234 -4.563 -15.196 1.00 0.00 C ATOM 1255 O SER A 82 1.015 -4.896 -16.367 1.00 0.00 O ATOM 1256 CB SER A 82 -0.817 -5.120 -13.806 1.00 0.00 C ATOM 1257 OG SER A 82 -1.385 -5.987 -12.833 1.00 0.00 O ATOM 0 H SER A 82 1.061 -4.430 -12.204 1.00 0.00 H new ATOM 0 HA SER A 82 0.797 -6.466 -14.302 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.939 -4.085 -13.487 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.354 -5.228 -14.748 1.00 0.00 H new ATOM 0 HG SER A 82 -1.172 -5.656 -11.936 1.00 0.00 H new