USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 683 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.017 (180deg=0.0169) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.825 USER MOD Single : A 7 ASN : amide:sc= -6.05! C(o=-6!,f=-12!) USER MOD Single : A 11 ASN : amide:sc= -0.155 K(o=-0.16,f=-2.1!) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.0164 F(o=-1.3,f=-0.016) USER MOD Single : A 16 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.78 K(o=-1.8,f=-5.5) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.102 F(o=-0.74,f=-0.1) USER MOD Single : A 33 TYR OH : rot 90:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -1.91! USER MOD Single : A 64 GLN :FLIP amide:sc= -1.28 F(o=-3.8!,f=-1.3) USER MOD Single : A 67 MET CE :methyl -108:sc= -12.6! (180deg=-18.7!) USER MOD Single : A 73 ASN : amide:sc= 0.0495 K(o=0.05,f=-2.8!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0796) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.731 -11.939 4.308 1.00 0.00 N ATOM 2 CA MET A 1 -8.687 -12.221 5.334 1.00 0.00 C ATOM 3 C MET A 1 -7.289 -12.071 4.726 1.00 0.00 C ATOM 4 O MET A 1 -6.450 -12.943 4.851 1.00 0.00 O ATOM 5 CB MET A 1 -8.934 -13.669 5.760 1.00 0.00 C ATOM 6 CG MET A 1 -8.539 -13.847 7.228 1.00 0.00 C ATOM 7 SD MET A 1 -10.000 -13.635 8.276 1.00 0.00 S ATOM 8 CE MET A 1 -9.129 -13.153 9.788 1.00 0.00 C ATOM 0 H1 MET A 1 -10.674 -12.028 4.738 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.607 -10.973 3.943 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.642 -12.619 3.526 1.00 0.00 H new ATOM 0 HA MET A 1 -8.740 -11.532 6.177 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.984 -13.925 5.622 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.356 -14.347 5.133 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.108 -14.836 7.382 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.774 -13.120 7.501 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.853 -12.970 10.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.454 -13.954 10.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.555 -12.245 9.604 1.00 0.00 H new ATOM 20 N ARG A 2 -7.029 -10.972 4.071 1.00 0.00 N ATOM 21 CA ARG A 2 -5.683 -10.768 3.459 1.00 0.00 C ATOM 22 C ARG A 2 -5.239 -9.314 3.635 1.00 0.00 C ATOM 23 O ARG A 2 -5.844 -8.555 4.367 1.00 0.00 O ATOM 24 CB ARG A 2 -5.864 -11.106 1.978 1.00 0.00 C ATOM 25 CG ARG A 2 -5.798 -12.623 1.790 1.00 0.00 C ATOM 26 CD ARG A 2 -5.632 -12.950 0.304 1.00 0.00 C ATOM 27 NE ARG A 2 -6.332 -14.252 0.118 1.00 0.00 N ATOM 28 CZ ARG A 2 -6.533 -14.722 -1.083 1.00 0.00 C ATOM 29 NH1 ARG A 2 -5.527 -15.162 -1.789 1.00 0.00 N ATOM 30 NH2 ARG A 2 -7.740 -14.751 -1.579 1.00 0.00 N ATOM 0 H ARG A 2 -7.689 -10.207 3.933 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.917 -11.389 3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.821 -10.726 1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.088 -10.621 1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.964 -13.034 2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.706 -13.087 2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.070 -12.173 -0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.579 -13.025 0.031 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.655 -14.777 0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.584 -15.139 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.684 -15.529 -2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.526 -14.406 -1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.897 -15.118 -2.518 1.00 0.00 H new ATOM 44 N ARG A 3 -4.185 -8.921 2.975 1.00 0.00 N ATOM 45 CA ARG A 3 -3.700 -7.517 3.112 1.00 0.00 C ATOM 46 C ARG A 3 -3.824 -6.771 1.779 1.00 0.00 C ATOM 47 O ARG A 3 -3.357 -7.233 0.758 1.00 0.00 O ATOM 48 CB ARG A 3 -2.230 -7.646 3.513 1.00 0.00 C ATOM 49 CG ARG A 3 -2.136 -8.001 4.997 1.00 0.00 C ATOM 50 CD ARG A 3 -0.821 -8.738 5.261 1.00 0.00 C ATOM 51 NE ARG A 3 -1.200 -9.903 6.107 1.00 0.00 N ATOM 52 CZ ARG A 3 -0.355 -10.377 6.980 1.00 0.00 C ATOM 53 NH1 ARG A 3 0.129 -9.597 7.908 1.00 0.00 N ATOM 54 NH2 ARG A 3 0.007 -11.629 6.927 1.00 0.00 N ATOM 0 H ARG A 3 -3.638 -9.510 2.347 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.280 -6.954 3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.744 -8.415 2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.705 -6.711 3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.186 -7.096 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.981 -8.626 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.355 -9.060 4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.103 -8.096 5.771 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.120 -10.330 6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.154 -8.618 7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.790 -9.967 8.591 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.371 -12.239 6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.668 -11.998 7.611 1.00 0.00 H new ATOM 68 N TYR A 4 -4.444 -5.618 1.776 1.00 0.00 N ATOM 69 CA TYR A 4 -4.579 -4.854 0.510 1.00 0.00 C ATOM 70 C TYR A 4 -4.082 -3.426 0.720 1.00 0.00 C ATOM 71 O TYR A 4 -3.918 -2.973 1.835 1.00 0.00 O ATOM 72 CB TYR A 4 -6.071 -4.855 0.197 1.00 0.00 C ATOM 73 CG TYR A 4 -6.570 -6.275 0.083 1.00 0.00 C ATOM 74 CD1 TYR A 4 -6.776 -7.040 1.236 1.00 0.00 C ATOM 75 CD2 TYR A 4 -6.830 -6.826 -1.178 1.00 0.00 C ATOM 76 CE1 TYR A 4 -7.242 -8.356 1.129 1.00 0.00 C ATOM 77 CE2 TYR A 4 -7.295 -8.142 -1.285 1.00 0.00 C ATOM 78 CZ TYR A 4 -7.502 -8.907 -0.131 1.00 0.00 C ATOM 79 OH TYR A 4 -7.963 -10.204 -0.235 1.00 0.00 O ATOM 0 H TYR A 4 -4.860 -5.178 2.597 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.997 -5.289 -0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.617 -4.330 0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.257 -4.319 -0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.576 -6.616 2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.672 -6.235 -2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.401 -8.946 2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.494 -8.567 -2.258 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.093 -10.430 -1.180 1.00 0.00 H new ATOM 89 N GLU A 5 -3.843 -2.712 -0.340 1.00 0.00 N ATOM 90 CA GLU A 5 -3.359 -1.313 -0.192 1.00 0.00 C ATOM 91 C GLU A 5 -4.136 -0.386 -1.124 1.00 0.00 C ATOM 92 O GLU A 5 -4.372 -0.701 -2.274 1.00 0.00 O ATOM 93 CB GLU A 5 -1.882 -1.359 -0.583 1.00 0.00 C ATOM 94 CG GLU A 5 -1.108 -2.177 0.453 1.00 0.00 C ATOM 95 CD GLU A 5 -0.653 -3.495 -0.175 1.00 0.00 C ATOM 96 OE1 GLU A 5 -1.085 -3.783 -1.279 1.00 0.00 O ATOM 97 OE2 GLU A 5 0.118 -4.196 0.459 1.00 0.00 O ATOM 0 H GLU A 5 -3.961 -3.034 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.497 -0.932 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.770 -1.804 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.478 -0.348 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.245 -1.613 0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.737 -2.373 1.321 1.00 0.00 H new ATOM 104 N VAL A 6 -4.542 0.752 -0.636 1.00 0.00 N ATOM 105 CA VAL A 6 -5.312 1.690 -1.503 1.00 0.00 C ATOM 106 C VAL A 6 -4.544 3.001 -1.697 1.00 0.00 C ATOM 107 O VAL A 6 -4.088 3.612 -0.751 1.00 0.00 O ATOM 108 CB VAL A 6 -6.618 1.946 -0.756 1.00 0.00 C ATOM 109 CG1 VAL A 6 -7.557 2.769 -1.638 1.00 0.00 C ATOM 110 CG2 VAL A 6 -7.281 0.610 -0.415 1.00 0.00 C ATOM 0 H VAL A 6 -4.376 1.073 0.318 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.482 1.275 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.409 2.494 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.490 2.952 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.086 3.721 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.766 2.222 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.214 0.792 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.490 0.062 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.612 0.022 0.214 1.00 0.00 H new ATOM 120 N ASN A 7 -4.404 3.439 -2.919 1.00 0.00 N ATOM 121 CA ASN A 7 -3.672 4.714 -3.174 1.00 0.00 C ATOM 122 C ASN A 7 -4.651 5.891 -3.168 1.00 0.00 C ATOM 123 O ASN A 7 -5.293 6.181 -4.156 1.00 0.00 O ATOM 124 CB ASN A 7 -3.050 4.547 -4.562 1.00 0.00 C ATOM 125 CG ASN A 7 -2.262 3.237 -4.617 1.00 0.00 C ATOM 126 OD1 ASN A 7 -2.326 2.437 -3.704 1.00 0.00 O ATOM 127 ND2 ASN A 7 -1.518 2.981 -5.659 1.00 0.00 N ATOM 0 H ASN A 7 -4.764 2.971 -3.751 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.919 4.917 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.830 4.546 -5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.392 5.388 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.990 2.109 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.465 3.653 -6.425 1.00 0.00 H new ATOM 134 N ILE A 8 -4.767 6.571 -2.062 1.00 0.00 N ATOM 135 CA ILE A 8 -5.704 7.729 -1.996 1.00 0.00 C ATOM 136 C ILE A 8 -4.949 9.030 -2.277 1.00 0.00 C ATOM 137 O ILE A 8 -4.101 9.444 -1.511 1.00 0.00 O ATOM 138 CB ILE A 8 -6.243 7.722 -0.566 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.156 6.507 -0.371 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.040 9.003 -0.315 1.00 0.00 C ATOM 141 CD1 ILE A 8 -6.529 5.557 0.652 1.00 0.00 C ATOM 0 H ILE A 8 -4.255 6.376 -1.202 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.504 7.657 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.411 7.668 0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.140 6.829 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.301 5.992 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.425 8.998 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.392 9.868 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.873 9.057 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.178 4.692 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.555 5.225 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.407 6.076 1.603 1.00 0.00 H new ATOM 153 N VAL A 9 -5.250 9.682 -3.367 1.00 0.00 N ATOM 154 CA VAL A 9 -4.545 10.955 -3.686 1.00 0.00 C ATOM 155 C VAL A 9 -5.501 12.139 -3.509 1.00 0.00 C ATOM 156 O VAL A 9 -6.519 12.235 -4.164 1.00 0.00 O ATOM 157 CB VAL A 9 -4.111 10.817 -5.148 1.00 0.00 C ATOM 158 CG1 VAL A 9 -5.319 11.004 -6.067 1.00 0.00 C ATOM 159 CG2 VAL A 9 -3.060 11.882 -5.467 1.00 0.00 C ATOM 0 H VAL A 9 -5.951 9.389 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.692 11.135 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.689 9.825 -5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.005 10.905 -7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.069 10.246 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.746 11.995 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.749 11.786 -6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.485 12.873 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.196 11.747 -4.816 1.00 0.00 H new ATOM 169 N LEU A 10 -5.183 13.039 -2.619 1.00 0.00 N ATOM 170 CA LEU A 10 -6.079 14.211 -2.393 1.00 0.00 C ATOM 171 C LEU A 10 -5.290 15.519 -2.479 1.00 0.00 C ATOM 172 O LEU A 10 -4.079 15.537 -2.376 1.00 0.00 O ATOM 173 CB LEU A 10 -6.656 14.031 -0.984 1.00 0.00 C ATOM 174 CG LEU A 10 -5.618 13.381 -0.065 1.00 0.00 C ATOM 175 CD1 LEU A 10 -4.419 14.317 0.097 1.00 0.00 C ATOM 176 CD2 LEU A 10 -6.249 13.118 1.304 1.00 0.00 C ATOM 0 H LEU A 10 -4.344 13.015 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.864 14.262 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.955 14.998 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.552 13.412 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.284 12.439 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.681 13.853 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.971 14.506 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.750 15.259 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.513 12.655 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.581 14.061 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.103 12.450 1.189 1.00 0.00 H new ATOM 188 N ASN A 11 -5.972 16.613 -2.668 1.00 0.00 N ATOM 189 CA ASN A 11 -5.270 17.927 -2.763 1.00 0.00 C ATOM 190 C ASN A 11 -5.457 18.723 -1.468 1.00 0.00 C ATOM 191 O ASN A 11 -6.534 18.753 -0.906 1.00 0.00 O ATOM 192 CB ASN A 11 -5.935 18.648 -3.935 1.00 0.00 C ATOM 193 CG ASN A 11 -5.135 18.390 -5.213 1.00 0.00 C ATOM 194 OD1 ASN A 11 -4.241 17.567 -5.229 1.00 0.00 O ATOM 195 ND2 ASN A 11 -5.419 19.065 -6.293 1.00 0.00 N ATOM 0 H ASN A 11 -6.987 16.656 -2.761 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.196 17.811 -2.912 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.960 18.297 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.987 19.718 -3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.891 18.902 -7.150 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.169 19.756 -6.280 1.00 0.00 H new ATOM 202 N PRO A 12 -4.391 19.343 -1.039 1.00 0.00 N ATOM 203 CA PRO A 12 -4.424 20.151 0.198 1.00 0.00 C ATOM 204 C PRO A 12 -4.984 21.543 -0.090 1.00 0.00 C ATOM 205 O PRO A 12 -4.424 22.546 0.304 1.00 0.00 O ATOM 206 CB PRO A 12 -2.959 20.230 0.607 1.00 0.00 C ATOM 207 CG PRO A 12 -2.178 20.045 -0.660 1.00 0.00 C ATOM 208 CD PRO A 12 -3.068 19.346 -1.661 1.00 0.00 C ATOM 0 HA PRO A 12 -5.058 19.724 0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.732 21.190 1.071 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.713 19.458 1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.850 21.009 -1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.281 19.456 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.080 19.872 -2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.721 18.332 -1.860 1.00 0.00 H new ATOM 216 N ASN A 13 -6.087 21.607 -0.776 1.00 0.00 N ATOM 217 CA ASN A 13 -6.693 22.931 -1.093 1.00 0.00 C ATOM 218 C ASN A 13 -7.091 23.648 0.202 1.00 0.00 C ATOM 219 O ASN A 13 -6.805 24.813 0.390 1.00 0.00 O ATOM 220 CB ASN A 13 -7.930 22.610 -1.929 1.00 0.00 C ATOM 221 CG ASN A 13 -8.330 23.839 -2.753 1.00 0.00 C ATOM 222 OD1 ASN A 13 -7.913 25.021 -2.388 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -9.029 23.721 -3.739 1.00 0.00 N flip ATOM 0 H ASN A 13 -6.598 20.799 -1.133 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.003 23.587 -1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.725 21.768 -2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.753 22.312 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.355 22.798 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.290 24.545 -4.281 1.00 0.00 H new ATOM 230 N LEU A 14 -7.746 22.956 1.094 1.00 0.00 N ATOM 231 CA LEU A 14 -8.162 23.594 2.376 1.00 0.00 C ATOM 232 C LEU A 14 -6.929 24.040 3.165 1.00 0.00 C ATOM 233 O LEU A 14 -5.810 23.709 2.826 1.00 0.00 O ATOM 234 CB LEU A 14 -8.914 22.497 3.134 1.00 0.00 C ATOM 235 CG LEU A 14 -10.405 22.838 3.195 1.00 0.00 C ATOM 236 CD1 LEU A 14 -10.884 23.310 1.821 1.00 0.00 C ATOM 237 CD2 LEU A 14 -11.193 21.592 3.605 1.00 0.00 C ATOM 0 H LEU A 14 -8.011 21.976 0.991 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.778 24.479 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.771 21.537 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.513 22.398 4.143 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.564 23.632 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.946 23.552 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.323 24.197 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.725 22.519 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.255 21.832 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.030 20.801 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.856 21.255 4.585 1.00 0.00 H new ATOM 249 N ASP A 15 -7.124 24.785 4.218 1.00 0.00 N ATOM 250 CA ASP A 15 -5.958 25.244 5.025 1.00 0.00 C ATOM 251 C ASP A 15 -5.465 24.103 5.918 1.00 0.00 C ATOM 252 O ASP A 15 -5.902 22.976 5.796 1.00 0.00 O ATOM 253 CB ASP A 15 -6.485 26.406 5.870 1.00 0.00 C ATOM 254 CG ASP A 15 -7.527 25.891 6.863 1.00 0.00 C ATOM 255 OD1 ASP A 15 -7.184 25.033 7.660 1.00 0.00 O ATOM 256 OD2 ASP A 15 -8.649 26.365 6.812 1.00 0.00 O ATOM 0 H ASP A 15 -8.036 25.095 4.554 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.117 25.552 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.663 26.881 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.927 27.166 5.225 1.00 0.00 H new ATOM 261 N GLN A 16 -4.555 24.381 6.808 1.00 0.00 N ATOM 262 CA GLN A 16 -4.036 23.304 7.698 1.00 0.00 C ATOM 263 C GLN A 16 -5.139 22.812 8.637 1.00 0.00 C ATOM 264 O GLN A 16 -5.358 21.625 8.782 1.00 0.00 O ATOM 265 CB GLN A 16 -2.906 23.958 8.494 1.00 0.00 C ATOM 266 CG GLN A 16 -2.026 24.782 7.554 1.00 0.00 C ATOM 267 CD GLN A 16 -0.601 24.830 8.105 1.00 0.00 C ATOM 268 OE1 GLN A 16 0.355 24.752 7.359 1.00 0.00 O ATOM 269 NE2 GLN A 16 -0.415 24.959 9.391 1.00 0.00 N ATOM 0 H GLN A 16 -4.148 25.304 6.958 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.690 22.437 7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.320 24.597 9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.308 23.194 8.991 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.028 24.341 6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.424 25.792 7.457 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.217 25.025 10.018 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.532 24.994 9.768 1.00 0.00 H new ATOM 278 N SER A 17 -5.831 23.711 9.280 1.00 0.00 N ATOM 279 CA SER A 17 -6.910 23.291 10.209 1.00 0.00 C ATOM 280 C SER A 17 -8.004 22.536 9.450 1.00 0.00 C ATOM 281 O SER A 17 -8.455 21.491 9.871 1.00 0.00 O ATOM 282 CB SER A 17 -7.460 24.591 10.789 1.00 0.00 C ATOM 283 OG SER A 17 -7.221 24.618 12.189 1.00 0.00 O ATOM 0 H SER A 17 -5.694 24.719 9.200 1.00 0.00 H new ATOM 0 HA SER A 17 -6.545 22.619 10.986 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.983 25.447 10.310 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.529 24.668 10.589 1.00 0.00 H new ATOM 0 HG SER A 17 -7.571 25.453 12.565 1.00 0.00 H new ATOM 289 N GLN A 18 -8.430 23.056 8.332 1.00 0.00 N ATOM 290 CA GLN A 18 -9.492 22.364 7.549 1.00 0.00 C ATOM 291 C GLN A 18 -8.964 21.038 7.000 1.00 0.00 C ATOM 292 O GLN A 18 -9.669 20.050 6.953 1.00 0.00 O ATOM 293 CB GLN A 18 -9.831 23.321 6.406 1.00 0.00 C ATOM 294 CG GLN A 18 -10.486 24.581 6.972 1.00 0.00 C ATOM 295 CD GLN A 18 -11.894 24.247 7.470 1.00 0.00 C ATOM 296 OE1 GLN A 18 -12.602 23.478 6.852 1.00 0.00 O ATOM 297 NE2 GLN A 18 -12.332 24.797 8.569 1.00 0.00 N ATOM 0 H GLN A 18 -8.089 23.928 7.928 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.366 22.131 8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.927 23.584 5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.503 22.836 5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.885 24.980 7.789 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.534 25.354 6.205 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.737 25.443 9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.269 24.581 8.909 1.00 0.00 H new ATOM 306 N LEU A 19 -7.728 21.005 6.582 1.00 0.00 N ATOM 307 CA LEU A 19 -7.162 19.740 6.035 1.00 0.00 C ATOM 308 C LEU A 19 -7.034 18.690 7.142 1.00 0.00 C ATOM 309 O LEU A 19 -7.228 17.514 6.916 1.00 0.00 O ATOM 310 CB LEU A 19 -5.783 20.122 5.498 1.00 0.00 C ATOM 311 CG LEU A 19 -5.067 18.867 4.995 1.00 0.00 C ATOM 312 CD1 LEU A 19 -5.065 18.860 3.465 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.624 18.867 5.507 1.00 0.00 C ATOM 0 H LEU A 19 -7.087 21.798 6.596 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.796 19.307 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.883 20.845 4.689 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.195 20.600 6.282 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.584 17.980 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.555 17.966 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.092 18.863 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.547 19.746 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.111 17.974 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.107 19.753 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.625 18.874 6.597 1.00 0.00 H new ATOM 325 N ALA A 20 -6.709 19.101 8.336 1.00 0.00 N ATOM 326 CA ALA A 20 -6.569 18.121 9.444 1.00 0.00 C ATOM 327 C ALA A 20 -7.893 17.383 9.669 1.00 0.00 C ATOM 328 O ALA A 20 -7.917 16.217 10.008 1.00 0.00 O ATOM 329 CB ALA A 20 -6.205 18.958 10.671 1.00 0.00 C ATOM 0 H ALA A 20 -6.535 20.073 8.590 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.816 17.362 9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.084 18.304 11.535 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.272 19.490 10.485 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.999 19.678 10.869 1.00 0.00 H new ATOM 335 N LEU A 21 -8.994 18.062 9.495 1.00 0.00 N ATOM 336 CA LEU A 21 -10.314 17.414 9.708 1.00 0.00 C ATOM 337 C LEU A 21 -10.550 16.299 8.680 1.00 0.00 C ATOM 338 O LEU A 21 -11.173 15.297 8.970 1.00 0.00 O ATOM 339 CB LEU A 21 -11.340 18.548 9.556 1.00 0.00 C ATOM 340 CG LEU A 21 -11.797 18.679 8.099 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.923 17.681 7.825 1.00 0.00 C ATOM 342 CD2 LEU A 21 -12.304 20.101 7.853 1.00 0.00 C ATOM 0 H LEU A 21 -9.033 19.042 9.213 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.386 16.935 10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.201 18.353 10.195 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.901 19.488 9.890 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.959 18.470 7.434 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.248 17.774 6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.562 16.668 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.763 17.889 8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.630 20.197 6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.142 20.308 8.518 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.502 20.812 8.048 1.00 0.00 H new ATOM 354 N GLU A 22 -10.065 16.466 7.479 1.00 0.00 N ATOM 355 CA GLU A 22 -10.276 15.413 6.441 1.00 0.00 C ATOM 356 C GLU A 22 -9.583 14.111 6.854 1.00 0.00 C ATOM 357 O GLU A 22 -9.993 13.032 6.474 1.00 0.00 O ATOM 358 CB GLU A 22 -9.664 15.980 5.154 1.00 0.00 C ATOM 359 CG GLU A 22 -8.139 15.845 5.189 1.00 0.00 C ATOM 360 CD GLU A 22 -7.705 14.693 4.283 1.00 0.00 C ATOM 361 OE1 GLU A 22 -8.531 14.217 3.521 1.00 0.00 O ATOM 362 OE2 GLU A 22 -6.551 14.302 4.366 1.00 0.00 O ATOM 0 H GLU A 22 -9.534 17.281 7.172 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.331 15.174 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.063 15.451 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.941 17.028 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.674 16.774 4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.803 15.664 6.210 1.00 0.00 H new ATOM 369 N LYS A 23 -8.539 14.201 7.631 1.00 0.00 N ATOM 370 CA LYS A 23 -7.828 12.967 8.069 1.00 0.00 C ATOM 371 C LYS A 23 -8.709 12.167 9.031 1.00 0.00 C ATOM 372 O LYS A 23 -8.695 10.951 9.041 1.00 0.00 O ATOM 373 CB LYS A 23 -6.574 13.467 8.785 1.00 0.00 C ATOM 374 CG LYS A 23 -5.332 13.029 8.007 1.00 0.00 C ATOM 375 CD LYS A 23 -4.979 14.096 6.968 1.00 0.00 C ATOM 376 CE LYS A 23 -3.918 15.039 7.543 1.00 0.00 C ATOM 377 NZ LYS A 23 -2.614 14.404 7.204 1.00 0.00 N ATOM 0 H LYS A 23 -8.148 15.075 7.981 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.587 12.309 7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.599 14.554 8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.539 13.070 9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.496 12.880 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.516 12.074 7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.607 13.624 6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.871 14.659 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.997 16.035 7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.033 15.153 8.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.837 14.993 7.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.564 13.460 7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.529 14.315 6.171 1.00 0.00 H new ATOM 391 N GLU A 24 -9.467 12.845 9.847 1.00 0.00 N ATOM 392 CA GLU A 24 -10.348 12.136 10.820 1.00 0.00 C ATOM 393 C GLU A 24 -11.473 11.395 10.092 1.00 0.00 C ATOM 394 O GLU A 24 -11.632 10.199 10.233 1.00 0.00 O ATOM 395 CB GLU A 24 -10.922 13.244 11.705 1.00 0.00 C ATOM 396 CG GLU A 24 -11.523 12.632 12.973 1.00 0.00 C ATOM 397 CD GLU A 24 -12.828 13.352 13.317 1.00 0.00 C ATOM 398 OE1 GLU A 24 -13.331 14.066 12.465 1.00 0.00 O ATOM 399 OE2 GLU A 24 -13.304 13.178 14.426 1.00 0.00 O ATOM 0 H GLU A 24 -9.515 13.863 9.883 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.804 11.387 11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.139 13.955 11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.686 13.799 11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.710 11.569 12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.819 12.718 13.800 1.00 0.00 H new ATOM 406 N ILE A 25 -12.259 12.096 9.320 1.00 0.00 N ATOM 407 CA ILE A 25 -13.378 11.427 8.593 1.00 0.00 C ATOM 408 C ILE A 25 -12.836 10.351 7.650 1.00 0.00 C ATOM 409 O ILE A 25 -13.357 9.256 7.577 1.00 0.00 O ATOM 410 CB ILE A 25 -14.067 12.537 7.798 1.00 0.00 C ATOM 411 CG1 ILE A 25 -13.107 13.082 6.737 1.00 0.00 C ATOM 412 CG2 ILE A 25 -14.473 13.670 8.742 1.00 0.00 C ATOM 413 CD1 ILE A 25 -13.733 14.304 6.064 1.00 0.00 C ATOM 0 H ILE A 25 -12.176 13.100 9.161 1.00 0.00 H new ATOM 0 HA ILE A 25 -14.067 10.931 9.277 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.955 12.132 7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.156 13.353 7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.894 12.313 5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.964 14.460 8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.160 13.286 9.497 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.585 14.073 9.230 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.050 14.693 5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.673 14.018 5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.923 15.074 6.812 1.00 0.00 H new ATOM 425 N ILE A 26 -11.796 10.654 6.925 1.00 0.00 N ATOM 426 CA ILE A 26 -11.230 9.642 5.986 1.00 0.00 C ATOM 427 C ILE A 26 -10.733 8.422 6.765 1.00 0.00 C ATOM 428 O ILE A 26 -11.077 7.298 6.461 1.00 0.00 O ATOM 429 CB ILE A 26 -10.062 10.349 5.297 1.00 0.00 C ATOM 430 CG1 ILE A 26 -10.603 11.323 4.248 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.166 9.313 4.615 1.00 0.00 C ATOM 432 CD1 ILE A 26 -9.455 11.809 3.361 1.00 0.00 C ATOM 0 H ILE A 26 -11.314 11.553 6.940 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.969 9.284 5.269 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.482 10.897 6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.364 10.833 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.083 12.171 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.334 9.818 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.780 8.619 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.745 8.763 3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.841 12.503 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.710 12.315 3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.995 10.956 2.861 1.00 0.00 H new ATOM 444 N GLN A 27 -9.931 8.635 7.772 1.00 0.00 N ATOM 445 CA GLN A 27 -9.416 7.491 8.575 1.00 0.00 C ATOM 446 C GLN A 27 -10.562 6.826 9.338 1.00 0.00 C ATOM 447 O GLN A 27 -10.607 5.623 9.493 1.00 0.00 O ATOM 448 CB GLN A 27 -8.414 8.108 9.551 1.00 0.00 C ATOM 449 CG GLN A 27 -7.091 8.373 8.830 1.00 0.00 C ATOM 450 CD GLN A 27 -6.288 9.413 9.611 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.145 10.538 9.176 1.00 0.00 O ATOM 452 NE2 GLN A 27 -5.760 9.085 10.758 1.00 0.00 N ATOM 0 H GLN A 27 -9.610 9.555 8.074 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.958 6.723 7.951 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.812 9.039 9.956 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.252 7.437 10.394 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.521 7.448 8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.281 8.729 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.880 8.140 11.123 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.227 9.773 11.290 1.00 0.00 H new ATOM 461 N ARG A 28 -11.483 7.607 9.828 1.00 0.00 N ATOM 462 CA ARG A 28 -12.625 7.028 10.588 1.00 0.00 C ATOM 463 C ARG A 28 -13.615 6.334 9.646 1.00 0.00 C ATOM 464 O ARG A 28 -14.273 5.384 10.020 1.00 0.00 O ATOM 465 CB ARG A 28 -13.290 8.223 11.270 1.00 0.00 C ATOM 466 CG ARG A 28 -12.359 8.770 12.354 1.00 0.00 C ATOM 467 CD ARG A 28 -12.890 8.370 13.733 1.00 0.00 C ATOM 468 NE ARG A 28 -12.467 9.472 14.639 1.00 0.00 N ATOM 469 CZ ARG A 28 -12.911 9.515 15.866 1.00 0.00 C ATOM 470 NH1 ARG A 28 -12.342 8.789 16.790 1.00 0.00 N ATOM 471 NH2 ARG A 28 -13.922 10.281 16.169 1.00 0.00 N ATOM 0 H ARG A 28 -11.494 8.623 9.735 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.295 6.273 11.302 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.509 8.999 10.537 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.241 7.922 11.709 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.351 8.380 12.213 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.294 9.855 12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.974 8.261 13.723 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.477 7.414 14.054 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.830 10.194 14.301 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.552 8.189 16.553 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.688 8.822 17.749 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.367 10.848 15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.268 10.314 17.128 1.00 0.00 H new ATOM 485 N ALA A 29 -13.744 6.807 8.433 1.00 0.00 N ATOM 486 CA ALA A 29 -14.710 6.178 7.498 1.00 0.00 C ATOM 487 C ALA A 29 -14.248 4.779 7.110 1.00 0.00 C ATOM 488 O ALA A 29 -14.999 3.829 7.202 1.00 0.00 O ATOM 489 CB ALA A 29 -14.748 7.095 6.278 1.00 0.00 C ATOM 0 H ALA A 29 -13.223 7.598 8.055 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.696 6.065 7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.444 6.692 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.075 8.090 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.752 7.159 5.840 1.00 0.00 H new ATOM 495 N LEU A 30 -13.019 4.621 6.706 1.00 0.00 N ATOM 496 CA LEU A 30 -12.571 3.245 6.366 1.00 0.00 C ATOM 497 C LEU A 30 -12.844 2.383 7.591 1.00 0.00 C ATOM 498 O LEU A 30 -13.268 1.248 7.496 1.00 0.00 O ATOM 499 CB LEU A 30 -11.072 3.335 6.058 1.00 0.00 C ATOM 500 CG LEU A 30 -10.347 4.066 7.186 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.783 3.050 8.178 1.00 0.00 C ATOM 502 CD2 LEU A 30 -9.198 4.885 6.595 1.00 0.00 C ATOM 0 H LEU A 30 -12.325 5.360 6.599 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.084 2.813 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.657 2.334 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.917 3.860 5.115 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.046 4.725 7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.266 3.574 8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.598 2.458 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.082 2.391 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.676 5.410 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.503 4.220 6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.596 5.610 5.885 1.00 0.00 H new ATOM 514 N GLU A 31 -12.638 2.947 8.751 1.00 0.00 N ATOM 515 CA GLU A 31 -12.915 2.215 10.005 1.00 0.00 C ATOM 516 C GLU A 31 -14.426 2.015 10.154 1.00 0.00 C ATOM 517 O GLU A 31 -14.880 1.007 10.659 1.00 0.00 O ATOM 518 CB GLU A 31 -12.381 3.116 11.117 1.00 0.00 C ATOM 519 CG GLU A 31 -10.864 2.971 11.201 1.00 0.00 C ATOM 520 CD GLU A 31 -10.499 2.127 12.423 1.00 0.00 C ATOM 521 OE1 GLU A 31 -11.075 2.362 13.473 1.00 0.00 O ATOM 522 OE2 GLU A 31 -9.650 1.261 12.290 1.00 0.00 O ATOM 0 H GLU A 31 -12.285 3.896 8.877 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.451 1.229 10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.648 4.154 10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.837 2.846 12.070 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.482 2.502 10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.397 3.954 11.272 1.00 0.00 H new ATOM 529 N ASN A 32 -15.213 2.966 9.711 1.00 0.00 N ATOM 530 CA ASN A 32 -16.685 2.820 9.825 1.00 0.00 C ATOM 531 C ASN A 32 -17.117 1.545 9.112 1.00 0.00 C ATOM 532 O ASN A 32 -18.019 0.849 9.537 1.00 0.00 O ATOM 533 CB ASN A 32 -17.260 4.049 9.124 1.00 0.00 C ATOM 534 CG ASN A 32 -18.695 4.284 9.599 1.00 0.00 C ATOM 535 OD1 ASN A 32 -18.970 4.206 10.873 1.00 0.00 O flip ATOM 536 ND2 ASN A 32 -19.577 4.542 8.804 1.00 0.00 N flip ATOM 0 H ASN A 32 -14.894 3.832 9.278 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.027 2.752 10.858 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -16.647 4.924 9.340 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.242 3.906 8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -19.364 4.603 7.808 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -20.530 4.697 9.132 1.00 0.00 H new ATOM 543 N TYR A 33 -16.469 1.237 8.027 1.00 0.00 N ATOM 544 CA TYR A 33 -16.808 0.018 7.266 1.00 0.00 C ATOM 545 C TYR A 33 -16.339 -1.218 8.046 1.00 0.00 C ATOM 546 O TYR A 33 -16.865 -2.302 7.889 1.00 0.00 O ATOM 547 CB TYR A 33 -16.055 0.201 5.938 1.00 0.00 C ATOM 548 CG TYR A 33 -15.401 -1.091 5.505 1.00 0.00 C ATOM 549 CD1 TYR A 33 -14.275 -1.555 6.186 1.00 0.00 C ATOM 550 CD2 TYR A 33 -15.918 -1.819 4.427 1.00 0.00 C ATOM 551 CE1 TYR A 33 -13.661 -2.747 5.797 1.00 0.00 C ATOM 552 CE2 TYR A 33 -15.305 -3.013 4.034 1.00 0.00 C ATOM 553 CZ TYR A 33 -14.175 -3.478 4.719 1.00 0.00 C ATOM 554 OH TYR A 33 -13.569 -4.656 4.332 1.00 0.00 O ATOM 0 H TYR A 33 -15.708 1.790 7.633 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.875 -0.127 7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -16.747 0.539 5.167 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.298 0.977 6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.877 -0.990 7.016 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -16.789 -1.459 3.900 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.791 -3.105 6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.703 -3.576 3.203 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.970 -5.406 4.820 1.00 0.00 H new ATOM 564 N GLY A 34 -15.350 -1.056 8.884 1.00 0.00 N ATOM 565 CA GLY A 34 -14.843 -2.202 9.673 1.00 0.00 C ATOM 566 C GLY A 34 -13.479 -2.635 9.132 1.00 0.00 C ATOM 567 O GLY A 34 -13.161 -3.807 9.089 1.00 0.00 O ATOM 0 H GLY A 34 -14.872 -0.171 9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.757 -1.924 10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.547 -3.033 9.620 1.00 0.00 H new ATOM 571 N ALA A 35 -12.673 -1.697 8.713 1.00 0.00 N ATOM 572 CA ALA A 35 -11.331 -2.055 8.169 1.00 0.00 C ATOM 573 C ALA A 35 -10.221 -1.561 9.102 1.00 0.00 C ATOM 574 O ALA A 35 -10.212 -0.422 9.525 1.00 0.00 O ATOM 575 CB ALA A 35 -11.249 -1.339 6.821 1.00 0.00 C ATOM 0 H ALA A 35 -12.885 -0.699 8.724 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.204 -3.133 8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.288 -1.552 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.053 -1.689 6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.348 -0.264 6.973 1.00 0.00 H new ATOM 581 N ARG A 36 -9.279 -2.408 9.418 1.00 0.00 N ATOM 582 CA ARG A 36 -8.165 -1.989 10.313 1.00 0.00 C ATOM 583 C ARG A 36 -6.863 -1.918 9.518 1.00 0.00 C ATOM 584 O ARG A 36 -6.581 -2.755 8.683 1.00 0.00 O ATOM 585 CB ARG A 36 -8.056 -3.063 11.391 1.00 0.00 C ATOM 586 CG ARG A 36 -9.439 -3.633 11.726 1.00 0.00 C ATOM 587 CD ARG A 36 -10.296 -2.544 12.377 1.00 0.00 C ATOM 588 NE ARG A 36 -11.702 -2.996 12.191 1.00 0.00 N ATOM 589 CZ ARG A 36 -12.381 -3.455 13.207 1.00 0.00 C ATOM 590 NH1 ARG A 36 -12.094 -4.625 13.707 1.00 0.00 N ATOM 591 NH2 ARG A 36 -13.346 -2.743 13.724 1.00 0.00 N ATOM 0 H ARG A 36 -9.234 -3.374 9.094 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.349 -1.006 10.747 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.400 -3.863 11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.604 -2.641 12.288 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.923 -3.998 10.820 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.340 -4.484 12.400 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.054 -2.431 13.434 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.127 -1.575 11.906 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.135 -2.947 11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.339 -5.181 13.304 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.624 -4.984 14.501 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.570 -1.827 13.334 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.876 -3.102 14.518 1.00 0.00 H new ATOM 605 N VAL A 37 -6.069 -0.924 9.771 1.00 0.00 N ATOM 606 CA VAL A 37 -4.779 -0.786 9.035 1.00 0.00 C ATOM 607 C VAL A 37 -3.626 -1.311 9.891 1.00 0.00 C ATOM 608 O VAL A 37 -3.355 -0.806 10.962 1.00 0.00 O ATOM 609 CB VAL A 37 -4.623 0.715 8.790 1.00 0.00 C ATOM 610 CG1 VAL A 37 -4.469 1.438 10.129 1.00 0.00 C ATOM 611 CG2 VAL A 37 -3.379 0.965 7.932 1.00 0.00 C ATOM 0 H VAL A 37 -6.254 -0.194 10.459 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.770 -1.354 8.105 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.505 1.091 8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.358 2.508 9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.353 1.260 10.742 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.587 1.061 10.646 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.267 2.035 7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.498 0.588 8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.486 0.450 6.977 1.00 0.00 H new ATOM 621 N GLU A 38 -2.942 -2.321 9.427 1.00 0.00 N ATOM 622 CA GLU A 38 -1.805 -2.874 10.220 1.00 0.00 C ATOM 623 C GLU A 38 -0.481 -2.296 9.714 1.00 0.00 C ATOM 624 O GLU A 38 0.494 -2.230 10.436 1.00 0.00 O ATOM 625 CB GLU A 38 -1.855 -4.385 9.989 1.00 0.00 C ATOM 626 CG GLU A 38 -1.594 -5.115 11.308 1.00 0.00 C ATOM 627 CD GLU A 38 -2.329 -6.457 11.305 1.00 0.00 C ATOM 628 OE1 GLU A 38 -3.041 -6.718 10.350 1.00 0.00 O ATOM 629 OE2 GLU A 38 -2.167 -7.201 12.260 1.00 0.00 O ATOM 0 H GLU A 38 -3.119 -2.786 8.537 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.879 -2.623 11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.829 -4.670 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.110 -4.675 9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.524 -5.275 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.932 -4.505 12.146 1.00 0.00 H new ATOM 636 N LYS A 39 -0.438 -1.878 8.478 1.00 0.00 N ATOM 637 CA LYS A 39 0.825 -1.308 7.924 1.00 0.00 C ATOM 638 C LYS A 39 0.554 0.039 7.246 1.00 0.00 C ATOM 639 O LYS A 39 -0.199 0.123 6.301 1.00 0.00 O ATOM 640 CB LYS A 39 1.299 -2.331 6.893 1.00 0.00 C ATOM 641 CG LYS A 39 1.202 -3.739 7.480 1.00 0.00 C ATOM 642 CD LYS A 39 2.252 -3.907 8.577 1.00 0.00 C ATOM 643 CE LYS A 39 2.563 -5.394 8.766 1.00 0.00 C ATOM 644 NZ LYS A 39 4.027 -5.518 8.516 1.00 0.00 N ATOM 0 H LYS A 39 -1.223 -1.906 7.827 1.00 0.00 H new ATOM 0 HA LYS A 39 1.568 -1.128 8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.691 -2.260 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.328 -2.118 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.205 -3.907 7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.356 -4.482 6.698 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.160 -3.366 8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.888 -3.479 9.511 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.305 -5.726 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.991 -6.008 8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.315 -6.511 8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.242 -5.201 7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.547 -4.928 9.197 1.00 0.00 H new ATOM 658 N VAL A 40 1.165 1.090 7.722 1.00 0.00 N ATOM 659 CA VAL A 40 0.951 2.430 7.097 1.00 0.00 C ATOM 660 C VAL A 40 2.296 3.140 6.909 1.00 0.00 C ATOM 661 O VAL A 40 2.988 3.426 7.865 1.00 0.00 O ATOM 662 CB VAL A 40 0.076 3.195 8.088 1.00 0.00 C ATOM 663 CG1 VAL A 40 0.802 3.303 9.430 1.00 0.00 C ATOM 664 CG2 VAL A 40 -0.197 4.600 7.545 1.00 0.00 C ATOM 0 H VAL A 40 1.804 1.080 8.517 1.00 0.00 H new ATOM 0 HA VAL A 40 0.485 2.360 6.114 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.867 2.666 8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.178 3.849 10.138 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.001 2.304 9.817 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.744 3.833 9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.821 5.148 8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.747 5.128 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.711 4.526 6.587 1.00 0.00 H new ATOM 674 N GLU A 41 2.679 3.432 5.694 1.00 0.00 N ATOM 675 CA GLU A 41 3.984 4.124 5.484 1.00 0.00 C ATOM 676 C GLU A 41 3.750 5.562 5.022 1.00 0.00 C ATOM 677 O GLU A 41 2.899 5.823 4.195 1.00 0.00 O ATOM 678 CB GLU A 41 4.697 3.318 4.400 1.00 0.00 C ATOM 679 CG GLU A 41 6.185 3.217 4.740 1.00 0.00 C ATOM 680 CD GLU A 41 6.483 1.835 5.325 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.986 0.864 4.778 1.00 0.00 O ATOM 682 OE2 GLU A 41 7.202 1.771 6.308 1.00 0.00 O ATOM 0 H GLU A 41 2.151 3.224 4.846 1.00 0.00 H new ATOM 0 HA GLU A 41 4.573 4.177 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.261 2.322 4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.566 3.797 3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.785 3.382 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.459 3.993 5.455 1.00 0.00 H new ATOM 689 N GLU A 42 4.496 6.504 5.539 1.00 0.00 N ATOM 690 CA GLU A 42 4.290 7.911 5.098 1.00 0.00 C ATOM 691 C GLU A 42 4.990 8.131 3.772 1.00 0.00 C ATOM 692 O GLU A 42 6.202 8.136 3.678 1.00 0.00 O ATOM 693 CB GLU A 42 4.919 8.773 6.193 1.00 0.00 C ATOM 694 CG GLU A 42 4.230 8.486 7.529 1.00 0.00 C ATOM 695 CD GLU A 42 4.230 9.753 8.387 1.00 0.00 C ATOM 696 OE1 GLU A 42 4.458 10.818 7.837 1.00 0.00 O ATOM 697 OE2 GLU A 42 4.001 9.637 9.581 1.00 0.00 O ATOM 0 H GLU A 42 5.227 6.362 6.236 1.00 0.00 H new ATOM 0 HA GLU A 42 3.238 8.157 4.955 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.986 8.561 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.821 9.829 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.207 8.150 7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.747 7.681 8.051 1.00 0.00 H new ATOM 704 N LEU A 43 4.220 8.315 2.745 1.00 0.00 N ATOM 705 CA LEU A 43 4.809 8.536 1.409 1.00 0.00 C ATOM 706 C LEU A 43 4.946 10.019 1.117 1.00 0.00 C ATOM 707 O LEU A 43 3.981 10.760 1.097 1.00 0.00 O ATOM 708 CB LEU A 43 3.837 7.900 0.434 1.00 0.00 C ATOM 709 CG LEU A 43 4.490 7.754 -0.945 1.00 0.00 C ATOM 710 CD1 LEU A 43 5.925 7.239 -0.798 1.00 0.00 C ATOM 711 CD2 LEU A 43 3.686 6.748 -1.772 1.00 0.00 C ATOM 0 H LEU A 43 3.200 8.321 2.776 1.00 0.00 H new ATOM 0 HA LEU A 43 5.808 8.107 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.528 6.922 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.937 8.510 0.356 1.00 0.00 H new ATOM 0 HG LEU A 43 4.506 8.726 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.379 7.139 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.505 7.943 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.914 6.268 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.143 6.637 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.679 5.783 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.663 7.106 -1.886 1.00 0.00 H new ATOM 723 N GLY A 44 6.131 10.446 0.863 1.00 0.00 N ATOM 724 CA GLY A 44 6.352 11.875 0.533 1.00 0.00 C ATOM 725 C GLY A 44 5.882 12.117 -0.903 1.00 0.00 C ATOM 726 O GLY A 44 5.433 11.214 -1.579 1.00 0.00 O ATOM 0 H GLY A 44 6.971 9.867 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.802 12.513 1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.407 12.129 0.635 1.00 0.00 H new ATOM 955 N GLY A 58 2.528 14.858 -5.945 1.00 0.00 N ATOM 956 CA GLY A 58 1.390 13.951 -5.620 1.00 0.00 C ATOM 957 C GLY A 58 1.757 13.040 -4.448 1.00 0.00 C ATOM 958 O GLY A 58 2.686 12.259 -4.520 1.00 0.00 O ATOM 0 HA2 GLY A 58 0.507 14.539 -5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.135 13.349 -6.492 1.00 0.00 H new ATOM 962 N TYR A 59 1.023 13.126 -3.371 1.00 0.00 N ATOM 963 CA TYR A 59 1.314 12.255 -2.194 1.00 0.00 C ATOM 964 C TYR A 59 0.476 10.978 -2.298 1.00 0.00 C ATOM 965 O TYR A 59 -0.731 11.031 -2.428 1.00 0.00 O ATOM 966 CB TYR A 59 0.903 13.060 -0.947 1.00 0.00 C ATOM 967 CG TYR A 59 0.985 14.548 -1.219 1.00 0.00 C ATOM 968 CD1 TYR A 59 2.231 15.180 -1.308 1.00 0.00 C ATOM 969 CD2 TYR A 59 -0.190 15.292 -1.384 1.00 0.00 C ATOM 970 CE1 TYR A 59 2.301 16.557 -1.562 1.00 0.00 C ATOM 971 CE2 TYR A 59 -0.119 16.667 -1.637 1.00 0.00 C ATOM 972 CZ TYR A 59 1.127 17.299 -1.727 1.00 0.00 C ATOM 973 OH TYR A 59 1.197 18.655 -1.977 1.00 0.00 O ATOM 0 H TYR A 59 0.234 13.762 -3.255 1.00 0.00 H new ATOM 0 HA TYR A 59 2.365 11.972 -2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.113 12.794 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.553 12.802 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.138 14.607 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.151 14.805 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.262 17.045 -1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.026 17.240 -1.763 1.00 0.00 H new ATOM 0 HH TYR A 59 0.291 19.018 -2.067 1.00 0.00 H new ATOM 983 N PHE A 60 1.097 9.831 -2.248 1.00 0.00 N ATOM 984 CA PHE A 60 0.311 8.563 -2.353 1.00 0.00 C ATOM 985 C PHE A 60 0.470 7.752 -1.065 1.00 0.00 C ATOM 986 O PHE A 60 1.558 7.513 -0.615 1.00 0.00 O ATOM 987 CB PHE A 60 0.912 7.834 -3.567 1.00 0.00 C ATOM 988 CG PHE A 60 0.842 6.331 -3.385 1.00 0.00 C ATOM 989 CD1 PHE A 60 -0.340 5.733 -2.931 1.00 0.00 C ATOM 990 CD2 PHE A 60 1.962 5.539 -3.674 1.00 0.00 C ATOM 991 CE1 PHE A 60 -0.402 4.343 -2.767 1.00 0.00 C ATOM 992 CE2 PHE A 60 1.897 4.149 -3.511 1.00 0.00 C ATOM 993 CZ PHE A 60 0.715 3.552 -3.056 1.00 0.00 C ATOM 0 H PHE A 60 2.105 9.714 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.759 8.727 -2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.374 8.120 -4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.949 8.140 -3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.203 6.343 -2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.874 6.000 -4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.314 3.881 -2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.759 3.538 -3.736 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.666 2.481 -2.928 1.00 0.00 H new ATOM 1003 N LEU A 61 -0.599 7.328 -0.460 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.448 6.548 0.799 1.00 0.00 C ATOM 1005 C LEU A 61 -0.621 5.052 0.522 1.00 0.00 C ATOM 1006 O LEU A 61 -1.462 4.635 -0.248 1.00 0.00 O ATOM 1007 CB LEU A 61 -1.516 7.130 1.750 1.00 0.00 C ATOM 1008 CG LEU A 61 -2.351 6.046 2.453 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -3.249 5.340 1.437 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.431 5.031 3.143 1.00 0.00 C ATOM 0 H LEU A 61 -1.557 7.483 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 61 0.542 6.631 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.026 7.748 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.181 7.783 1.184 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.977 6.518 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.837 4.574 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.918 6.067 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.633 4.876 0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.035 4.269 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.788 4.559 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.816 5.542 3.883 1.00 0.00 H new ATOM 1022 N TRP A 62 0.202 4.251 1.143 1.00 0.00 N ATOM 1023 CA TRP A 62 0.132 2.772 0.939 1.00 0.00 C ATOM 1024 C TRP A 62 -0.034 2.072 2.289 1.00 0.00 C ATOM 1025 O TRP A 62 0.835 2.143 3.135 1.00 0.00 O ATOM 1026 CB TRP A 62 1.484 2.414 0.324 1.00 0.00 C ATOM 1027 CG TRP A 62 1.581 0.935 0.125 1.00 0.00 C ATOM 1028 CD1 TRP A 62 0.947 0.235 -0.842 1.00 0.00 C ATOM 1029 CD2 TRP A 62 2.355 -0.033 0.891 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.283 -1.102 -0.719 1.00 0.00 N ATOM 1031 CE2 TRP A 62 2.147 -1.317 0.335 1.00 0.00 C ATOM 1032 CE3 TRP A 62 3.210 0.077 2.004 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.764 -2.452 0.864 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 3.831 -1.063 2.539 1.00 0.00 C ATOM 1035 CH2 TRP A 62 3.610 -2.324 1.969 1.00 0.00 C ATOM 0 H TRP A 62 0.928 4.560 1.790 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.706 2.469 0.311 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.605 2.926 -0.630 1.00 0.00 H new ATOM 0 HB3 TRP A 62 2.290 2.755 0.974 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.286 0.651 -1.588 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.934 -1.838 -1.333 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.389 1.044 2.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.589 -3.422 0.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.483 -0.967 3.395 1.00 0.00 H new ATOM 0 HH2 TRP A 62 4.093 -3.196 2.383 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.131 1.396 2.513 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.302 0.716 3.816 1.00 0.00 C ATOM 1048 C TYR A 63 -1.896 -0.680 3.637 1.00 0.00 C ATOM 1049 O TYR A 63 -2.679 -0.924 2.744 1.00 0.00 O ATOM 1050 CB TYR A 63 -2.248 1.610 4.616 1.00 0.00 C ATOM 1051 CG TYR A 63 -3.577 1.771 3.915 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -3.658 2.460 2.701 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -4.737 1.247 4.499 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -4.897 2.626 2.070 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -5.976 1.409 3.867 1.00 0.00 C ATOM 1056 CZ TYR A 63 -6.056 2.100 2.653 1.00 0.00 C ATOM 1057 OH TYR A 63 -7.279 2.265 2.035 1.00 0.00 O ATOM 0 H TYR A 63 -1.903 1.290 1.855 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.347 0.576 4.323 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.406 1.182 5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.791 2.589 4.762 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.764 2.865 2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.676 0.717 5.438 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.958 3.160 1.133 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.869 1.001 4.316 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.978 1.838 2.573 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.542 -1.595 4.495 1.00 0.00 N ATOM 1068 CA GLN A 64 -2.100 -2.969 4.385 1.00 0.00 C ATOM 1069 C GLN A 64 -3.346 -3.071 5.266 1.00 0.00 C ATOM 1070 O GLN A 64 -3.360 -2.620 6.394 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.991 -3.894 4.885 1.00 0.00 C ATOM 1072 CG GLN A 64 0.217 -3.787 3.951 1.00 0.00 C ATOM 1073 CD GLN A 64 1.042 -5.074 4.025 1.00 0.00 C ATOM 1074 OE1 GLN A 64 0.909 -5.866 5.055 1.00 0.00 O flip ATOM 1075 NE2 GLN A 64 1.817 -5.363 3.135 1.00 0.00 N flip ATOM 0 H GLN A 64 -0.891 -1.450 5.267 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.397 -3.231 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.705 -3.621 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.348 -4.923 4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.117 -3.616 2.928 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.832 -2.933 4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.922 -4.746 2.330 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.362 -6.223 3.193 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.403 -3.622 4.743 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.665 -3.712 5.526 1.00 0.00 C ATOM 1086 C VAL A 65 -6.159 -5.156 5.624 1.00 0.00 C ATOM 1087 O VAL A 65 -5.701 -6.029 4.922 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.635 -2.879 4.704 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -6.107 -1.457 4.612 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.717 -3.454 3.294 1.00 0.00 C ATOM 0 H VAL A 65 -4.448 -4.016 3.803 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.549 -3.368 6.554 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.619 -2.890 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.796 -0.850 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.018 -1.037 5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.128 -1.463 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.411 -2.861 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.730 -3.428 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.068 -4.485 3.341 1.00 0.00 H new ATOM 1100 N GLU A 66 -7.108 -5.409 6.483 1.00 0.00 N ATOM 1101 CA GLU A 66 -7.640 -6.792 6.613 1.00 0.00 C ATOM 1102 C GLU A 66 -9.070 -6.855 6.076 1.00 0.00 C ATOM 1103 O GLU A 66 -10.029 -6.690 6.803 1.00 0.00 O ATOM 1104 CB GLU A 66 -7.612 -7.101 8.107 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.309 -8.586 8.299 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.181 -9.148 9.422 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -9.355 -9.374 9.178 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -7.661 -9.343 10.508 1.00 0.00 O ATOM 0 H GLU A 66 -7.537 -4.718 7.099 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.052 -7.513 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.855 -6.494 8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.570 -6.850 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.498 -9.128 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.255 -8.724 8.540 1.00 0.00 H new ATOM 1115 N MET A 67 -9.215 -7.089 4.803 1.00 0.00 N ATOM 1116 CA MET A 67 -10.579 -7.159 4.203 1.00 0.00 C ATOM 1117 C MET A 67 -10.706 -8.405 3.323 1.00 0.00 C ATOM 1118 O MET A 67 -9.721 -8.927 2.843 1.00 0.00 O ATOM 1119 CB MET A 67 -10.700 -5.892 3.355 1.00 0.00 C ATOM 1120 CG MET A 67 -9.503 -5.799 2.405 1.00 0.00 C ATOM 1121 SD MET A 67 -10.095 -5.586 0.708 1.00 0.00 S ATOM 1122 CE MET A 67 -10.887 -3.978 0.945 1.00 0.00 C ATOM 0 H MET A 67 -8.447 -7.236 4.149 1.00 0.00 H new ATOM 0 HA MET A 67 -11.361 -7.223 4.959 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.629 -5.910 2.786 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.737 -5.013 3.998 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.866 -4.961 2.687 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.895 -6.701 2.479 1.00 0.00 H new ATOM 0 HE1 MET A 67 -11.970 -4.099 0.923 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.588 -3.563 1.907 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.582 -3.301 0.147 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.923 -8.840 3.141 1.00 0.00 N ATOM 1133 CA PRO A 68 -12.183 -10.038 2.309 1.00 0.00 C ATOM 1134 C PRO A 68 -11.994 -9.700 0.827 1.00 0.00 C ATOM 1135 O PRO A 68 -11.952 -8.548 0.444 1.00 0.00 O ATOM 1136 CB PRO A 68 -13.637 -10.384 2.619 1.00 0.00 C ATOM 1137 CG PRO A 68 -14.257 -9.101 3.074 1.00 0.00 C ATOM 1138 CD PRO A 68 -13.158 -8.264 3.683 1.00 0.00 C ATOM 0 HA PRO A 68 -11.508 -10.867 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.145 -10.776 1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.703 -11.149 3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.719 -8.579 2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.044 -9.292 3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.260 -7.214 3.411 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.176 -8.314 4.772 1.00 0.00 H new ATOM 1146 N GLU A 69 -11.866 -10.694 -0.008 1.00 0.00 N ATOM 1147 CA GLU A 69 -11.665 -10.425 -1.462 1.00 0.00 C ATOM 1148 C GLU A 69 -12.921 -9.804 -2.080 1.00 0.00 C ATOM 1149 O GLU A 69 -12.865 -9.194 -3.129 1.00 0.00 O ATOM 1150 CB GLU A 69 -11.386 -11.794 -2.081 1.00 0.00 C ATOM 1151 CG GLU A 69 -12.605 -12.701 -1.894 1.00 0.00 C ATOM 1152 CD GLU A 69 -12.946 -13.377 -3.223 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -13.539 -12.722 -4.064 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -12.609 -14.539 -3.376 1.00 0.00 O ATOM 0 H GLU A 69 -11.892 -11.680 0.252 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.853 -9.720 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.160 -11.685 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.510 -12.244 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.398 -13.454 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.455 -12.117 -1.542 1.00 0.00 H new ATOM 1161 N ASP A 70 -14.054 -9.959 -1.451 1.00 0.00 N ATOM 1162 CA ASP A 70 -15.304 -9.379 -2.028 1.00 0.00 C ATOM 1163 C ASP A 70 -15.486 -7.921 -1.592 1.00 0.00 C ATOM 1164 O ASP A 70 -15.932 -7.091 -2.359 1.00 0.00 O ATOM 1165 CB ASP A 70 -16.434 -10.248 -1.475 1.00 0.00 C ATOM 1166 CG ASP A 70 -17.618 -10.223 -2.443 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -18.369 -9.263 -2.404 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -17.752 -11.164 -3.209 1.00 0.00 O ATOM 0 H ASP A 70 -14.170 -10.458 -0.569 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.282 -9.373 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.085 -11.271 -1.337 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.743 -9.881 -0.496 1.00 0.00 H new ATOM 1173 N ARG A 71 -15.151 -7.599 -0.374 1.00 0.00 N ATOM 1174 CA ARG A 71 -15.317 -6.199 0.091 1.00 0.00 C ATOM 1175 C ARG A 71 -14.258 -5.298 -0.548 1.00 0.00 C ATOM 1176 O ARG A 71 -14.256 -4.098 -0.360 1.00 0.00 O ATOM 1177 CB ARG A 71 -15.135 -6.251 1.609 1.00 0.00 C ATOM 1178 CG ARG A 71 -16.367 -6.895 2.250 1.00 0.00 C ATOM 1179 CD ARG A 71 -17.335 -5.801 2.711 1.00 0.00 C ATOM 1180 NE ARG A 71 -16.945 -5.511 4.118 1.00 0.00 N ATOM 1181 CZ ARG A 71 -17.844 -5.537 5.065 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -18.956 -4.868 4.929 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -17.628 -6.230 6.149 1.00 0.00 N ATOM 0 H ARG A 71 -14.770 -8.246 0.317 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.289 -5.790 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.241 -6.823 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.991 -5.245 2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.860 -7.553 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.068 -7.512 3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.252 -4.911 2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -18.370 -6.138 2.649 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.975 -5.292 4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.124 -4.324 4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.658 -4.889 5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.758 -6.751 6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.329 -6.251 6.889 1.00 0.00 H new ATOM 1197 N VAL A 72 -13.353 -5.866 -1.298 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.295 -5.038 -1.940 1.00 0.00 C ATOM 1199 C VAL A 72 -12.932 -3.927 -2.777 1.00 0.00 C ATOM 1200 O VAL A 72 -12.514 -2.787 -2.737 1.00 0.00 O ATOM 1201 CB VAL A 72 -11.518 -6.008 -2.825 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -12.336 -6.351 -4.073 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -10.202 -5.358 -3.245 1.00 0.00 C ATOM 0 H VAL A 72 -13.301 -6.866 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.648 -4.550 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.320 -6.923 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.773 -7.044 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.277 -6.814 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.541 -5.440 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.642 -6.046 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.409 -4.442 -3.799 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.614 -5.120 -2.358 1.00 0.00 H new ATOM 1213 N ASN A 73 -13.947 -4.250 -3.525 1.00 0.00 N ATOM 1214 CA ASN A 73 -14.623 -3.213 -4.356 1.00 0.00 C ATOM 1215 C ASN A 73 -15.289 -2.180 -3.443 1.00 0.00 C ATOM 1216 O ASN A 73 -15.251 -0.992 -3.694 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.676 -3.976 -5.161 1.00 0.00 C ATOM 1218 CG ASN A 73 -16.209 -3.087 -6.286 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -16.001 -1.889 -6.281 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -16.895 -3.625 -7.257 1.00 0.00 N ATOM 0 H ASN A 73 -14.340 -5.188 -3.598 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.931 -2.676 -5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.241 -4.885 -5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.494 -4.284 -4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.256 -3.041 -8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.070 -4.630 -7.262 1.00 0.00 H new ATOM 1227 N ASP A 74 -15.900 -2.634 -2.383 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.576 -1.705 -1.441 1.00 0.00 C ATOM 1229 C ASP A 74 -15.560 -0.767 -0.785 1.00 0.00 C ATOM 1230 O ASP A 74 -15.792 0.417 -0.643 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.208 -2.619 -0.391 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.238 -1.834 0.422 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -19.130 -1.261 -0.182 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -18.119 -1.820 1.636 1.00 0.00 O ATOM 0 H ASP A 74 -15.959 -3.620 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.309 -1.071 -1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.685 -3.470 -0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.438 -3.019 0.269 1.00 0.00 H new ATOM 1239 N LEU A 75 -14.442 -1.294 -0.370 1.00 0.00 N ATOM 1240 CA LEU A 75 -13.415 -0.455 0.288 1.00 0.00 C ATOM 1241 C LEU A 75 -13.042 0.746 -0.585 1.00 0.00 C ATOM 1242 O LEU A 75 -13.051 1.877 -0.140 1.00 0.00 O ATOM 1243 CB LEU A 75 -12.212 -1.390 0.453 1.00 0.00 C ATOM 1244 CG LEU A 75 -11.658 -1.267 1.871 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -11.703 0.196 2.292 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -12.511 -2.103 2.828 1.00 0.00 C ATOM 0 H LEU A 75 -14.198 -2.280 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.765 -0.045 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.509 -2.420 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.440 -1.137 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.630 -1.628 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -11.310 0.296 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.098 0.790 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.734 0.550 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.115 -2.015 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.539 -1.743 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.487 -3.148 2.519 1.00 0.00 H new ATOM 1258 N ALA A 76 -12.727 0.509 -1.824 1.00 0.00 N ATOM 1259 CA ALA A 76 -12.365 1.631 -2.736 1.00 0.00 C ATOM 1260 C ALA A 76 -13.586 2.519 -2.913 1.00 0.00 C ATOM 1261 O ALA A 76 -13.506 3.730 -2.969 1.00 0.00 O ATOM 1262 CB ALA A 76 -11.983 0.965 -4.059 1.00 0.00 C ATOM 0 H ALA A 76 -12.704 -0.418 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.550 2.249 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.703 1.730 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.141 0.292 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.833 0.398 -4.439 1.00 0.00 H new ATOM 1268 N ARG A 77 -14.715 1.893 -3.001 1.00 0.00 N ATOM 1269 CA ARG A 77 -15.991 2.623 -3.178 1.00 0.00 C ATOM 1270 C ARG A 77 -16.194 3.644 -2.053 1.00 0.00 C ATOM 1271 O ARG A 77 -16.763 4.696 -2.256 1.00 0.00 O ATOM 1272 CB ARG A 77 -17.033 1.514 -3.096 1.00 0.00 C ATOM 1273 CG ARG A 77 -17.808 1.438 -4.414 1.00 0.00 C ATOM 1274 CD ARG A 77 -18.725 0.212 -4.399 1.00 0.00 C ATOM 1275 NE ARG A 77 -18.627 -0.357 -5.772 1.00 0.00 N ATOM 1276 CZ ARG A 77 -19.318 0.167 -6.747 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -20.580 0.449 -6.576 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -18.746 0.408 -7.896 1.00 0.00 N ATOM 0 H ARG A 77 -14.811 0.878 -2.957 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.038 3.191 -4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.547 0.560 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.718 1.706 -2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.397 2.344 -4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.114 1.376 -5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.406 -0.511 -3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.751 0.489 -4.159 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.019 -1.157 -5.950 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.028 0.260 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.119 0.859 -7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -17.760 0.187 -8.031 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.286 0.818 -8.658 1.00 0.00 H new ATOM 1292 N GLU A 78 -15.737 3.344 -0.869 1.00 0.00 N ATOM 1293 CA GLU A 78 -15.914 4.306 0.260 1.00 0.00 C ATOM 1294 C GLU A 78 -15.145 5.601 -0.013 1.00 0.00 C ATOM 1295 O GLU A 78 -15.664 6.687 0.142 1.00 0.00 O ATOM 1296 CB GLU A 78 -15.335 3.597 1.482 1.00 0.00 C ATOM 1297 CG GLU A 78 -15.839 2.155 1.525 1.00 0.00 C ATOM 1298 CD GLU A 78 -16.566 1.909 2.849 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -16.393 2.708 3.755 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -17.281 0.924 2.935 1.00 0.00 O ATOM 0 H GLU A 78 -15.251 2.479 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.960 4.580 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.246 3.611 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.627 4.122 2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.512 1.968 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.003 1.463 1.422 1.00 0.00 H new ATOM 1307 N LEU A 79 -13.909 5.491 -0.413 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.103 6.714 -0.691 1.00 0.00 C ATOM 1309 C LEU A 79 -13.639 7.437 -1.930 1.00 0.00 C ATOM 1310 O LEU A 79 -13.738 8.646 -1.960 1.00 0.00 O ATOM 1311 CB LEU A 79 -11.684 6.205 -0.939 1.00 0.00 C ATOM 1312 CG LEU A 79 -11.199 5.429 0.285 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -10.033 4.524 -0.111 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -10.739 6.414 1.364 1.00 0.00 C ATOM 0 H LEU A 79 -13.421 4.607 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.143 7.428 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.665 5.564 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.016 7.042 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.014 4.819 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.688 3.971 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.361 3.822 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.217 5.132 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.393 5.861 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.925 7.025 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.572 7.057 1.648 1.00 0.00 H new ATOM 1326 N ARG A 80 -13.980 6.704 -2.952 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.505 7.347 -4.190 1.00 0.00 C ATOM 1328 C ARG A 80 -15.817 8.080 -3.897 1.00 0.00 C ATOM 1329 O ARG A 80 -16.199 8.995 -4.600 1.00 0.00 O ATOM 1330 CB ARG A 80 -14.742 6.192 -5.164 1.00 0.00 C ATOM 1331 CG ARG A 80 -15.422 6.725 -6.427 1.00 0.00 C ATOM 1332 CD ARG A 80 -14.637 7.926 -6.957 1.00 0.00 C ATOM 1333 NE ARG A 80 -15.064 8.070 -8.376 1.00 0.00 N ATOM 1334 CZ ARG A 80 -14.673 9.100 -9.075 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -13.575 9.730 -8.752 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -15.377 9.501 -10.097 1.00 0.00 N ATOM 0 H ARG A 80 -13.918 5.686 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.815 8.088 -4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.795 5.717 -5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.365 5.429 -4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.469 5.944 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.449 7.016 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.859 8.827 -6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.562 7.759 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.663 7.363 -8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.023 9.417 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.269 10.535 -9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.234 9.009 -10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.071 10.306 -10.643 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.514 7.678 -2.871 1.00 0.00 N ATOM 1351 CA ILE A 81 -17.807 8.338 -2.537 1.00 0.00 C ATOM 1352 C ILE A 81 -17.579 9.759 -2.001 1.00 0.00 C ATOM 1353 O ILE A 81 -18.232 10.695 -2.416 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.427 7.445 -1.459 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.044 6.207 -2.122 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -19.508 8.220 -0.699 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.394 6.566 -2.749 1.00 0.00 C ATOM 0 H ILE A 81 -16.243 6.918 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.451 8.444 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.654 7.135 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.370 5.820 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.176 5.416 -1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -19.945 7.579 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.064 9.097 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.285 8.537 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.825 5.681 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -21.069 6.932 -1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -20.251 7.341 -3.502 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.677 9.929 -1.071 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.447 11.296 -0.511 1.00 0.00 C ATOM 1371 C ARG A 82 -15.771 12.211 -1.527 1.00 0.00 C ATOM 1372 O ARG A 82 -15.083 11.776 -2.428 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.554 11.113 0.713 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.413 10.146 0.399 1.00 0.00 C ATOM 1375 CD ARG A 82 -13.275 10.369 1.397 1.00 0.00 C ATOM 1376 NE ARG A 82 -12.987 9.021 1.957 1.00 0.00 N ATOM 1377 CZ ARG A 82 -13.877 8.422 2.701 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -14.521 9.095 3.614 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -14.125 7.151 2.528 1.00 0.00 N ATOM 0 H ARG A 82 -16.094 9.190 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.395 11.767 -0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.148 12.076 1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.143 10.732 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.767 9.117 0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.056 10.304 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -12.397 10.789 0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.568 11.068 2.180 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.096 8.566 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.329 10.088 3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.217 8.628 4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.623 6.626 1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.820 6.683 3.109 1.00 0.00 H new ATOM 1393 N ASP A 83 -15.976 13.484 -1.370 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.369 14.477 -2.304 1.00 0.00 C ATOM 1395 C ASP A 83 -13.859 14.606 -2.068 1.00 0.00 C ATOM 1396 O ASP A 83 -13.111 14.943 -2.963 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.073 15.797 -1.983 1.00 0.00 C ATOM 1398 CG ASP A 83 -16.042 16.704 -3.215 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -14.985 17.234 -3.510 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -17.079 16.852 -3.842 1.00 0.00 O ATOM 0 H ASP A 83 -16.545 13.888 -0.626 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.493 14.181 -3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.104 15.608 -1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.582 16.289 -1.144 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.411 14.362 -0.868 1.00 0.00 N ATOM 1406 CA ASN A 84 -11.953 14.496 -0.574 1.00 0.00 C ATOM 1407 C ASN A 84 -11.133 13.492 -1.389 1.00 0.00 C ATOM 1408 O ASN A 84 -9.920 13.546 -1.412 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.823 14.206 0.922 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.337 15.404 1.723 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.324 15.303 2.422 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -11.702 16.542 1.651 1.00 0.00 N ATOM 0 H ASN A 84 -13.989 14.076 -0.078 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.577 15.485 -0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.391 13.312 1.180 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.782 14.006 1.175 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.035 17.346 2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.872 16.627 1.064 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.775 12.576 -2.060 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.013 11.580 -2.867 1.00 0.00 C ATOM 1421 C VAL A 85 -11.100 11.922 -4.357 1.00 0.00 C ATOM 1422 O VAL A 85 -12.172 12.006 -4.922 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.693 10.242 -2.581 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.273 9.216 -3.634 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.276 9.750 -1.195 1.00 0.00 C ATOM 0 H VAL A 85 -12.790 12.474 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.954 11.564 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.775 10.370 -2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.759 8.263 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.568 9.567 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.191 9.085 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.759 8.795 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.194 9.623 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.577 10.480 -0.444 1.00 0.00 H new ATOM 1435 N ARG A 86 -9.980 12.111 -4.998 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.002 12.435 -6.454 1.00 0.00 C ATOM 1437 C ARG A 86 -10.000 11.139 -7.265 1.00 0.00 C ATOM 1438 O ARG A 86 -10.647 11.030 -8.286 1.00 0.00 O ATOM 1439 CB ARG A 86 -8.718 13.228 -6.704 1.00 0.00 C ATOM 1440 CG ARG A 86 -8.540 13.454 -8.206 1.00 0.00 C ATOM 1441 CD ARG A 86 -8.960 14.883 -8.559 1.00 0.00 C ATOM 1442 NE ARG A 86 -10.224 14.732 -9.332 1.00 0.00 N ATOM 1443 CZ ARG A 86 -10.204 14.173 -10.511 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -9.501 14.703 -11.473 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -10.891 13.084 -10.727 1.00 0.00 N ATOM 0 H ARG A 86 -9.052 12.056 -4.579 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.887 13.000 -6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.763 14.185 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.861 12.687 -6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.500 13.288 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.141 12.738 -8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.115 15.482 -7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.194 15.385 -9.149 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.105 15.065 -8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.966 15.555 -11.304 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.486 14.265 -12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.442 12.671 -9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.876 12.646 -11.648 1.00 0.00 H new ATOM 1459 N ARG A 87 -9.286 10.150 -6.800 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.243 8.848 -7.519 1.00 0.00 C ATOM 1461 C ARG A 87 -9.112 7.711 -6.506 1.00 0.00 C ATOM 1462 O ARG A 87 -8.714 7.916 -5.376 1.00 0.00 O ATOM 1463 CB ARG A 87 -8.002 8.912 -8.407 1.00 0.00 C ATOM 1464 CG ARG A 87 -8.034 10.186 -9.253 1.00 0.00 C ATOM 1465 CD ARG A 87 -7.242 9.964 -10.544 1.00 0.00 C ATOM 1466 NE ARG A 87 -6.060 10.864 -10.429 1.00 0.00 N ATOM 1467 CZ ARG A 87 -5.014 10.666 -11.183 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -4.152 9.735 -10.874 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -4.826 11.400 -12.245 1.00 0.00 N ATOM 0 H ARG A 87 -8.728 10.190 -5.947 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.145 8.669 -8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.102 8.896 -7.792 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.961 8.036 -9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.064 10.453 -9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.609 11.018 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.937 8.923 -10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.841 10.208 -11.422 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.069 11.635 -9.761 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.296 9.162 -10.043 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.334 9.581 -11.464 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.497 12.129 -12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.008 11.245 -12.834 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.439 6.516 -6.897 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.329 5.371 -5.950 1.00 0.00 C ATOM 1485 C VAL A 88 -8.590 4.202 -6.610 1.00 0.00 C ATOM 1486 O VAL A 88 -8.940 3.764 -7.688 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.772 4.989 -5.622 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -10.778 3.813 -4.647 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.479 6.185 -4.979 1.00 0.00 C ATOM 0 H VAL A 88 -9.778 6.279 -7.830 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.765 5.628 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.291 4.705 -6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.807 3.540 -4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.271 2.961 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.260 4.097 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.509 5.916 -4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.959 6.466 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.473 7.027 -5.672 1.00 0.00 H new ATOM 1499 N MET A 89 -7.572 3.692 -5.971 1.00 0.00 N ATOM 1500 CA MET A 89 -6.815 2.551 -6.566 1.00 0.00 C ATOM 1501 C MET A 89 -6.674 1.414 -5.550 1.00 0.00 C ATOM 1502 O MET A 89 -6.165 1.599 -4.462 1.00 0.00 O ATOM 1503 CB MET A 89 -5.443 3.126 -6.919 1.00 0.00 C ATOM 1504 CG MET A 89 -5.109 2.794 -8.376 1.00 0.00 C ATOM 1505 SD MET A 89 -3.882 1.465 -8.425 1.00 0.00 S ATOM 1506 CE MET A 89 -3.169 1.874 -10.037 1.00 0.00 C ATOM 0 H MET A 89 -7.232 4.014 -5.065 1.00 0.00 H new ATOM 0 HA MET A 89 -7.321 2.134 -7.437 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.441 4.206 -6.771 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.682 2.712 -6.257 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.011 2.490 -8.907 1.00 0.00 H new ATOM 0 HG3 MET A 89 -4.723 3.679 -8.883 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.374 1.166 -10.274 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.944 1.819 -10.802 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.759 2.883 -10.008 1.00 0.00 H new ATOM 1516 N VAL A 90 -7.119 0.236 -5.897 1.00 0.00 N ATOM 1517 CA VAL A 90 -7.009 -0.913 -4.952 1.00 0.00 C ATOM 1518 C VAL A 90 -6.037 -1.958 -5.510 1.00 0.00 C ATOM 1519 O VAL A 90 -6.133 -2.360 -6.652 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.424 -1.486 -4.854 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -8.750 -2.289 -6.116 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.515 -2.404 -3.633 1.00 0.00 C ATOM 0 H VAL A 90 -7.554 0.020 -6.794 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.628 -0.614 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.137 -0.667 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.759 -2.694 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.686 -1.638 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.038 -3.107 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.522 -2.814 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.798 -3.219 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.289 -1.834 -2.732 1.00 0.00 H new ATOM 1532 N VAL A 91 -5.097 -2.396 -4.716 1.00 0.00 N ATOM 1533 CA VAL A 91 -4.120 -3.408 -5.210 1.00 0.00 C ATOM 1534 C VAL A 91 -4.113 -4.640 -4.303 1.00 0.00 C ATOM 1535 O VAL A 91 -4.063 -4.534 -3.093 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.758 -2.709 -5.166 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.620 -1.782 -6.375 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -2.639 -1.888 -3.879 1.00 0.00 C ATOM 0 H VAL A 91 -4.964 -2.098 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.371 -3.755 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.968 -3.460 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.651 -1.285 -6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.699 -2.366 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.412 -1.034 -6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.669 -1.393 -3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.430 -1.139 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.734 -2.548 -3.017 1.00 0.00 H new ATOM 1548 N LYS A 92 -4.157 -5.810 -4.880 1.00 0.00 N ATOM 1549 CA LYS A 92 -4.147 -7.051 -4.055 1.00 0.00 C ATOM 1550 C LYS A 92 -2.714 -7.394 -3.640 1.00 0.00 C ATOM 1551 O LYS A 92 -1.777 -7.197 -4.388 1.00 0.00 O ATOM 1552 CB LYS A 92 -4.709 -8.138 -4.970 1.00 0.00 C ATOM 1553 CG LYS A 92 -6.227 -8.205 -4.814 1.00 0.00 C ATOM 1554 CD LYS A 92 -6.890 -7.504 -6.000 1.00 0.00 C ATOM 1555 CE LYS A 92 -7.731 -8.512 -6.786 1.00 0.00 C ATOM 1556 NZ LYS A 92 -6.741 -9.365 -7.500 1.00 0.00 N ATOM 0 H LYS A 92 -4.199 -5.960 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.730 -6.944 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.449 -7.925 -6.007 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.265 -9.102 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.553 -9.244 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.529 -7.730 -3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.519 -6.687 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.131 -7.065 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -8.358 -9.107 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.397 -8.009 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.093 -9.580 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.835 -8.860 -7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.603 -10.251 -6.974 1.00 0.00 H new ATOM 1570 N SER A 93 -2.536 -7.910 -2.457 1.00 0.00 N ATOM 1571 CA SER A 93 -1.162 -8.270 -2.002 1.00 0.00 C ATOM 1572 C SER A 93 -1.176 -9.641 -1.322 1.00 0.00 C ATOM 1573 O SER A 93 -2.214 -10.139 -0.931 1.00 0.00 O ATOM 1574 CB SER A 93 -0.771 -7.178 -1.007 1.00 0.00 C ATOM 1575 OG SER A 93 0.374 -7.596 -0.277 1.00 0.00 O ATOM 0 H SER A 93 -3.280 -8.098 -1.785 1.00 0.00 H new ATOM 0 HA SER A 93 -0.456 -8.333 -2.830 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.560 -6.248 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.598 -6.978 -0.326 1.00 0.00 H new ATOM 0 HG SER A 93 0.628 -6.897 0.361 1.00 0.00 H new