USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 811 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 32 CYS SG : rot 160:sc= 0.782 USER MOD Set 1.2: A 35 CYS SG : rot 69:sc= -0.686 USER MOD Set 2.1: A 8 THR OG1 : rot -41:sc= 1.44 USER MOD Set 2.2: A 11 SER OG : rot 104:sc= 2.49 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 65:sc= 0.56 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.06 K(o=1.1,f=-0.024) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 0.471 (180deg=0.443) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 1.02 (180deg=0.953) USER MOD Single : A 59 ASN : amide:sc= 1.55 K(o=1.5,f=-7!) USER MOD Single : A 62 GLN : amide:sc= 0.262 X(o=0.26,f=-0.074) USER MOD Single : A 63 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.2) USER MOD Single : A 66 THR OG1 : rot -54:sc= 1.33 USER MOD Single : A 69 LYS NZ :NH3+ 162:sc= 0.83 (180deg=0.626) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 77 THR OG1 : rot 132:sc= 1.2 USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 1.15 (180deg=1.07) USER MOD Single : A 83 ASN : amide:sc= 0.934 K(o=0.93,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0898 USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= 0.419 (180deg=0.095) USER MOD Single : A 95 SER OG : rot -93:sc= 0.0527 USER MOD Single : A 96 LYS NZ :NH3+ -172:sc= 1.46 (180deg=1.39) USER MOD Single : A 98 GLN : amide:sc= -0.365 X(o=-0.36,f=-0.14) USER MOD Single : A 100 LYS NZ :NH3+ 174:sc= 0.828 (180deg=0.796) USER MOD Single : A 106 ASN : amide:sc= 0.23 K(o=0.23,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 -9.409 -2.436 -9.682 1.00 0.00 N ATOM 47 CA ILE A 4 -7.996 -2.622 -9.396 1.00 0.00 C ATOM 48 C ILE A 4 -7.491 -3.874 -10.108 1.00 0.00 C ATOM 49 O ILE A 4 -8.154 -4.909 -10.118 1.00 0.00 O ATOM 50 CB ILE A 4 -7.753 -2.717 -7.879 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.152 -1.393 -7.205 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.292 -3.072 -7.570 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.773 -1.336 -5.724 1.00 0.00 C ATOM 0 HA ILE A 4 -7.443 -1.759 -9.765 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.373 -3.519 -7.478 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.672 -0.566 -7.729 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.228 -1.251 -7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.153 -3.132 -6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.048 -4.034 -8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.636 -2.303 -7.979 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.081 -0.377 -5.306 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.274 -2.143 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.694 -1.447 -5.620 1.00 0.00 H new ATOM 65 N ILE A 5 -6.288 -3.781 -10.670 1.00 0.00 N ATOM 66 CA ILE A 5 -5.633 -4.884 -11.361 1.00 0.00 C ATOM 67 C ILE A 5 -4.805 -5.697 -10.358 1.00 0.00 C ATOM 68 O ILE A 5 -3.789 -5.219 -9.857 1.00 0.00 O ATOM 69 CB ILE A 5 -4.757 -4.339 -12.506 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.509 -3.365 -13.434 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.147 -5.494 -13.316 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.795 -3.929 -14.048 1.00 0.00 C ATOM 0 H ILE A 5 -5.735 -2.924 -10.657 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.382 -5.544 -11.799 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.957 -3.765 -12.038 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.756 -2.465 -12.870 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.840 -3.063 -14.240 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.532 -5.090 -14.120 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.530 -6.111 -12.662 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.946 -6.102 -13.741 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.255 -3.174 -14.685 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.558 -4.811 -14.643 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.488 -4.204 -13.253 1.00 0.00 H new ATOM 84 N HIS A 6 -5.209 -6.937 -10.066 1.00 0.00 N ATOM 85 CA HIS A 6 -4.435 -7.805 -9.186 1.00 0.00 C ATOM 86 C HIS A 6 -3.302 -8.431 -10.000 1.00 0.00 C ATOM 87 O HIS A 6 -3.556 -9.249 -10.881 1.00 0.00 O ATOM 88 CB HIS A 6 -5.324 -8.859 -8.522 1.00 0.00 C ATOM 89 CG HIS A 6 -6.043 -8.317 -7.312 1.00 0.00 C ATOM 90 ND1 HIS A 6 -5.780 -8.657 -5.998 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.006 -7.346 -7.316 1.00 0.00 C ATOM 92 CE1 HIS A 6 -6.590 -7.918 -5.217 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.350 -7.127 -5.995 1.00 0.00 N ATOM 0 H HIS A 6 -6.065 -7.357 -10.427 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.005 -7.222 -8.372 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.055 -9.223 -9.244 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.714 -9.713 -8.228 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.417 -6.848 -8.182 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.624 -7.955 -4.138 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.061 -6.474 -5.666 1.00 0.00 H new ATOM 102 N LEU A 7 -2.060 -8.036 -9.717 1.00 0.00 N ATOM 103 CA LEU A 7 -0.868 -8.501 -10.411 1.00 0.00 C ATOM 104 C LEU A 7 -0.269 -9.713 -9.705 1.00 0.00 C ATOM 105 O LEU A 7 -0.622 -10.016 -8.568 1.00 0.00 O ATOM 106 CB LEU A 7 0.185 -7.384 -10.375 1.00 0.00 C ATOM 107 CG LEU A 7 -0.285 -6.065 -10.995 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.734 -4.985 -10.643 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.412 -6.175 -12.511 1.00 0.00 C ATOM 0 H LEU A 7 -1.854 -7.365 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.143 -8.768 -11.431 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.474 -7.204 -9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.078 -7.723 -10.901 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.270 -5.816 -10.599 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.420 -4.034 -11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.801 -4.887 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.710 -5.261 -11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.748 -5.221 -12.918 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.557 -6.432 -12.940 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.136 -6.951 -12.760 1.00 0.00 H new ATOM 121 N THR A 8 0.703 -10.349 -10.365 1.00 0.00 N ATOM 122 CA THR A 8 1.513 -11.407 -9.795 1.00 0.00 C ATOM 123 C THR A 8 2.950 -11.137 -10.215 1.00 0.00 C ATOM 124 O THR A 8 3.171 -10.437 -11.204 1.00 0.00 O ATOM 125 CB THR A 8 1.075 -12.791 -10.274 1.00 0.00 C ATOM 126 OG1 THR A 8 1.285 -12.903 -11.671 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.386 -13.092 -9.925 1.00 0.00 C ATOM 0 H THR A 8 0.947 -10.131 -11.331 1.00 0.00 H new ATOM 0 HA THR A 8 1.404 -11.409 -8.711 1.00 0.00 H new ATOM 0 HB THR A 8 1.684 -13.530 -9.753 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.019 -12.068 -12.110 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.649 -14.086 -10.286 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.517 -13.052 -8.844 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.033 -12.352 -10.396 1.00 0.00 H new ATOM 135 N ASP A 9 3.928 -11.702 -9.501 1.00 0.00 N ATOM 136 CA ASP A 9 5.329 -11.533 -9.867 1.00 0.00 C ATOM 137 C ASP A 9 5.550 -12.009 -11.303 1.00 0.00 C ATOM 138 O ASP A 9 6.247 -11.365 -12.084 1.00 0.00 O ATOM 139 CB ASP A 9 6.226 -12.303 -8.892 1.00 0.00 C ATOM 140 CG ASP A 9 7.702 -12.052 -9.194 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.093 -10.863 -9.160 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.414 -13.048 -9.438 1.00 0.00 O ATOM 0 H ASP A 9 3.773 -12.276 -8.672 1.00 0.00 H new ATOM 0 HA ASP A 9 5.592 -10.477 -9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.003 -11.999 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.013 -13.370 -8.961 1.00 0.00 H new ATOM 147 N ASP A 10 4.932 -13.142 -11.634 1.00 0.00 N ATOM 148 CA ASP A 10 4.994 -13.769 -12.943 1.00 0.00 C ATOM 149 C ASP A 10 4.443 -12.844 -14.030 1.00 0.00 C ATOM 150 O ASP A 10 5.052 -12.699 -15.084 1.00 0.00 O ATOM 151 CB ASP A 10 4.204 -15.083 -12.921 1.00 0.00 C ATOM 152 CG ASP A 10 4.656 -16.019 -11.804 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.307 -15.713 -10.642 1.00 0.00 O ATOM 154 OD2 ASP A 10 5.345 -17.010 -12.128 1.00 0.00 O ATOM 0 H ASP A 10 4.356 -13.662 -10.972 1.00 0.00 H new ATOM 0 HA ASP A 10 6.039 -13.973 -13.176 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.143 -14.863 -12.799 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.317 -15.587 -13.881 1.00 0.00 H new ATOM 159 N SER A 11 3.277 -12.235 -13.789 1.00 0.00 N ATOM 160 CA SER A 11 2.622 -11.399 -14.790 1.00 0.00 C ATOM 161 C SER A 11 3.242 -9.997 -14.873 1.00 0.00 C ATOM 162 O SER A 11 3.166 -9.340 -15.914 1.00 0.00 O ATOM 163 CB SER A 11 1.116 -11.369 -14.503 1.00 0.00 C ATOM 164 OG SER A 11 0.827 -10.720 -13.273 1.00 0.00 O ATOM 0 H SER A 11 2.770 -12.308 -12.907 1.00 0.00 H new ATOM 0 HA SER A 11 2.778 -11.833 -15.778 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.601 -10.855 -15.315 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.731 -12.388 -14.476 1.00 0.00 H new ATOM 0 HG SER A 11 0.479 -9.821 -13.451 1.00 0.00 H new ATOM 170 N PHE A 12 3.841 -9.545 -13.767 1.00 0.00 N ATOM 171 CA PHE A 12 4.485 -8.250 -13.576 1.00 0.00 C ATOM 172 C PHE A 12 5.235 -7.734 -14.806 1.00 0.00 C ATOM 173 O PHE A 12 5.104 -6.567 -15.174 1.00 0.00 O ATOM 174 CB PHE A 12 5.459 -8.351 -12.397 1.00 0.00 C ATOM 175 CG PHE A 12 5.857 -7.014 -11.830 1.00 0.00 C ATOM 176 CD1 PHE A 12 6.961 -6.314 -12.352 1.00 0.00 C ATOM 177 CD2 PHE A 12 5.076 -6.440 -10.811 1.00 0.00 C ATOM 178 CE1 PHE A 12 7.288 -5.048 -11.841 1.00 0.00 C ATOM 179 CE2 PHE A 12 5.454 -5.213 -10.250 1.00 0.00 C ATOM 180 CZ PHE A 12 6.568 -4.526 -10.756 1.00 0.00 C ATOM 0 H PHE A 12 3.890 -10.118 -12.925 1.00 0.00 H new ATOM 0 HA PHE A 12 3.688 -7.532 -13.383 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.002 -8.949 -11.609 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.355 -8.881 -12.721 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.554 -6.749 -13.143 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.187 -6.944 -10.462 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.092 -4.477 -12.282 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.889 -4.797 -9.429 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.872 -3.591 -10.308 1.00 0.00 H new ATOM 190 N ASP A 13 6.049 -8.586 -15.432 1.00 0.00 N ATOM 191 CA ASP A 13 6.837 -8.188 -16.588 1.00 0.00 C ATOM 192 C ASP A 13 5.948 -7.618 -17.699 1.00 0.00 C ATOM 193 O ASP A 13 6.219 -6.562 -18.263 1.00 0.00 O ATOM 194 CB ASP A 13 7.702 -9.368 -17.069 1.00 0.00 C ATOM 195 CG ASP A 13 6.961 -10.411 -17.909 1.00 0.00 C ATOM 196 OD1 ASP A 13 5.840 -10.795 -17.508 1.00 0.00 O ATOM 197 OD2 ASP A 13 7.523 -10.789 -18.958 1.00 0.00 O ATOM 0 H ASP A 13 6.176 -9.559 -15.152 1.00 0.00 H new ATOM 0 HA ASP A 13 7.512 -7.383 -16.296 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.533 -8.975 -17.655 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.132 -9.863 -16.198 1.00 0.00 H new ATOM 202 N THR A 14 4.866 -8.326 -18.001 1.00 0.00 N ATOM 203 CA THR A 14 3.943 -7.966 -19.055 1.00 0.00 C ATOM 204 C THR A 14 3.038 -6.833 -18.588 1.00 0.00 C ATOM 205 O THR A 14 2.800 -5.875 -19.317 1.00 0.00 O ATOM 206 CB THR A 14 3.151 -9.220 -19.456 1.00 0.00 C ATOM 207 OG1 THR A 14 4.047 -10.283 -19.730 1.00 0.00 O ATOM 208 CG2 THR A 14 2.310 -8.973 -20.712 1.00 0.00 C ATOM 0 H THR A 14 4.607 -9.180 -17.508 1.00 0.00 H new ATOM 0 HA THR A 14 4.477 -7.602 -19.932 1.00 0.00 H new ATOM 0 HB THR A 14 2.491 -9.471 -18.626 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.524 -10.529 -18.910 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.763 -9.880 -20.968 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.604 -8.164 -20.524 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.964 -8.698 -21.540 1.00 0.00 H new ATOM 216 N ASP A 15 2.513 -6.956 -17.372 1.00 0.00 N ATOM 217 CA ASP A 15 1.562 -5.992 -16.848 1.00 0.00 C ATOM 218 C ASP A 15 2.195 -4.633 -16.565 1.00 0.00 C ATOM 219 O ASP A 15 1.680 -3.604 -16.995 1.00 0.00 O ATOM 220 CB ASP A 15 0.936 -6.527 -15.556 1.00 0.00 C ATOM 221 CG ASP A 15 0.203 -7.858 -15.691 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.184 -8.209 -16.826 1.00 0.00 O ATOM 223 OD2 ASP A 15 0.044 -8.508 -14.635 1.00 0.00 O ATOM 0 H ASP A 15 2.734 -7.719 -16.732 1.00 0.00 H new ATOM 0 HA ASP A 15 0.802 -5.851 -17.616 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.722 -6.638 -14.809 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.237 -5.783 -15.175 1.00 0.00 H new ATOM 228 N VAL A 16 3.270 -4.629 -15.776 1.00 0.00 N ATOM 229 CA VAL A 16 3.919 -3.425 -15.289 1.00 0.00 C ATOM 230 C VAL A 16 5.087 -3.011 -16.177 1.00 0.00 C ATOM 231 O VAL A 16 5.123 -1.878 -16.656 1.00 0.00 O ATOM 232 CB VAL A 16 4.364 -3.629 -13.830 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.949 -2.333 -13.260 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.179 -4.052 -12.954 1.00 0.00 C ATOM 0 H VAL A 16 3.719 -5.486 -15.454 1.00 0.00 H new ATOM 0 HA VAL A 16 3.199 -2.608 -15.325 1.00 0.00 H new ATOM 0 HB VAL A 16 5.122 -4.412 -13.825 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.258 -2.497 -12.228 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.812 -2.031 -13.854 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.194 -1.548 -13.293 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.517 -4.191 -11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.411 -3.279 -12.982 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.765 -4.988 -13.329 1.00 0.00 H new ATOM 244 N LEU A 17 6.066 -3.894 -16.385 1.00 0.00 N ATOM 245 CA LEU A 17 7.243 -3.487 -17.149 1.00 0.00 C ATOM 246 C LEU A 17 6.878 -3.135 -18.589 1.00 0.00 C ATOM 247 O LEU A 17 7.374 -2.139 -19.108 1.00 0.00 O ATOM 248 CB LEU A 17 8.424 -4.450 -16.974 1.00 0.00 C ATOM 249 CG LEU A 17 8.810 -4.601 -15.490 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.996 -5.558 -15.347 1.00 0.00 C ATOM 251 CD2 LEU A 17 9.182 -3.251 -14.853 1.00 0.00 C ATOM 0 H LEU A 17 6.070 -4.857 -16.050 1.00 0.00 H new ATOM 0 HA LEU A 17 7.621 -2.556 -16.727 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.164 -5.425 -17.385 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.281 -4.084 -17.539 1.00 0.00 H new ATOM 0 HG LEU A 17 7.938 -5.000 -14.971 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.259 -5.656 -14.294 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.725 -6.535 -15.746 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.850 -5.165 -15.899 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.447 -3.403 -13.807 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.031 -2.820 -15.384 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.332 -2.572 -14.916 1.00 0.00 H new ATOM 263 N LYS A 18 5.970 -3.888 -19.214 1.00 0.00 N ATOM 264 CA LYS A 18 5.477 -3.551 -20.546 1.00 0.00 C ATOM 265 C LYS A 18 4.154 -2.774 -20.440 1.00 0.00 C ATOM 266 O LYS A 18 3.296 -2.891 -21.312 1.00 0.00 O ATOM 267 CB LYS A 18 5.363 -4.818 -21.405 1.00 0.00 C ATOM 268 CG LYS A 18 6.719 -5.516 -21.549 1.00 0.00 C ATOM 269 CD LYS A 18 6.574 -6.810 -22.359 1.00 0.00 C ATOM 270 CE LYS A 18 7.913 -7.550 -22.426 1.00 0.00 C ATOM 271 NZ LYS A 18 7.788 -8.817 -23.168 1.00 0.00 N ATOM 0 H LYS A 18 5.563 -4.735 -18.817 1.00 0.00 H new ATOM 0 HA LYS A 18 6.188 -2.895 -21.048 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.645 -5.503 -20.954 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.979 -4.558 -22.391 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.427 -4.849 -22.041 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.125 -5.741 -20.563 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.820 -7.450 -21.902 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.228 -6.579 -23.366 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.658 -6.916 -22.907 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.271 -7.751 -21.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.711 -9.295 -23.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.095 -9.430 -22.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.470 -8.621 -24.139 1.00 0.00 H new ATOM 285 N ALA A 19 3.973 -1.974 -19.377 1.00 0.00 N ATOM 286 CA ALA A 19 2.751 -1.204 -19.181 1.00 0.00 C ATOM 287 C ALA A 19 2.512 -0.201 -20.308 1.00 0.00 C ATOM 288 O ALA A 19 3.444 0.401 -20.842 1.00 0.00 O ATOM 289 CB ALA A 19 2.793 -0.454 -17.850 1.00 0.00 C ATOM 0 H ALA A 19 4.667 -1.849 -18.640 1.00 0.00 H new ATOM 0 HA ALA A 19 1.930 -1.921 -19.179 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.872 0.114 -17.723 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.894 -1.168 -17.033 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.644 0.228 -17.843 1.00 0.00 H new ATOM 295 N ASP A 20 1.234 0.016 -20.629 1.00 0.00 N ATOM 296 CA ASP A 20 0.758 0.942 -21.641 1.00 0.00 C ATOM 297 C ASP A 20 0.276 2.259 -21.030 1.00 0.00 C ATOM 298 O ASP A 20 -0.516 2.970 -21.641 1.00 0.00 O ATOM 299 CB ASP A 20 -0.372 0.256 -22.412 1.00 0.00 C ATOM 300 CG ASP A 20 -1.638 0.060 -21.576 1.00 0.00 C ATOM 301 OD1 ASP A 20 -1.488 -0.366 -20.408 1.00 0.00 O ATOM 302 OD2 ASP A 20 -2.731 0.326 -22.121 1.00 0.00 O ATOM 0 H ASP A 20 0.472 -0.477 -20.163 1.00 0.00 H new ATOM 0 HA ASP A 20 1.579 1.197 -22.311 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.614 0.850 -23.293 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.025 -0.714 -22.767 1.00 0.00 H new ATOM 307 N GLY A 21 0.757 2.602 -19.835 1.00 0.00 N ATOM 308 CA GLY A 21 0.380 3.832 -19.159 1.00 0.00 C ATOM 309 C GLY A 21 0.905 3.874 -17.726 1.00 0.00 C ATOM 310 O GLY A 21 1.873 3.188 -17.392 1.00 0.00 O ATOM 0 H GLY A 21 1.420 2.030 -19.312 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.769 4.686 -19.714 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.706 3.925 -19.151 1.00 0.00 H new ATOM 314 N ALA A 22 0.254 4.694 -16.893 1.00 0.00 N ATOM 315 CA ALA A 22 0.563 4.908 -15.488 1.00 0.00 C ATOM 316 C ALA A 22 -0.122 3.853 -14.620 1.00 0.00 C ATOM 317 O ALA A 22 -1.350 3.850 -14.513 1.00 0.00 O ATOM 318 CB ALA A 22 0.113 6.322 -15.102 1.00 0.00 C ATOM 0 H ALA A 22 -0.542 5.251 -17.204 1.00 0.00 H new ATOM 0 HA ALA A 22 1.636 4.813 -15.323 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.337 6.501 -14.050 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.642 7.052 -15.715 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.960 6.420 -15.266 1.00 0.00 H new ATOM 324 N ILE A 23 0.667 2.968 -14.003 1.00 0.00 N ATOM 325 CA ILE A 23 0.188 1.907 -13.134 1.00 0.00 C ATOM 326 C ILE A 23 0.625 2.173 -11.691 1.00 0.00 C ATOM 327 O ILE A 23 1.821 2.179 -11.398 1.00 0.00 O ATOM 328 CB ILE A 23 0.654 0.530 -13.637 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.351 0.378 -15.141 1.00 0.00 C ATOM 330 CG2 ILE A 23 -0.005 -0.572 -12.793 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.257 -1.074 -15.612 1.00 0.00 C ATOM 0 H ILE A 23 1.682 2.976 -14.102 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.902 1.896 -13.155 1.00 0.00 H new ATOM 0 HB ILE A 23 1.734 0.438 -13.522 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.588 0.884 -15.365 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.130 0.885 -15.711 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.324 -1.548 -13.148 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.281 -0.451 -11.748 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.089 -0.500 -12.883 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.042 -1.097 -16.680 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.203 -1.580 -15.422 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.541 -1.581 -15.070 1.00 0.00 H new ATOM 343 N LEU A 24 -0.337 2.350 -10.778 1.00 0.00 N ATOM 344 CA LEU A 24 -0.064 2.524 -9.355 1.00 0.00 C ATOM 345 C LEU A 24 -0.066 1.130 -8.738 1.00 0.00 C ATOM 346 O LEU A 24 -1.128 0.592 -8.438 1.00 0.00 O ATOM 347 CB LEU A 24 -1.115 3.438 -8.706 1.00 0.00 C ATOM 348 CG LEU A 24 -0.885 3.646 -7.198 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.283 4.609 -6.945 1.00 0.00 C ATOM 350 CD2 LEU A 24 -2.168 4.166 -6.542 1.00 0.00 C ATOM 0 H LEU A 24 -1.330 2.376 -11.011 1.00 0.00 H new ATOM 0 HA LEU A 24 0.899 3.008 -9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.104 4.406 -9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.105 3.010 -8.861 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.624 2.686 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.423 4.737 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.193 4.200 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.064 5.575 -7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.998 4.311 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.450 5.116 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.970 3.442 -6.687 1.00 0.00 H new ATOM 362 N VAL A 25 1.117 0.544 -8.567 1.00 0.00 N ATOM 363 CA VAL A 25 1.276 -0.794 -8.024 1.00 0.00 C ATOM 364 C VAL A 25 1.349 -0.742 -6.501 1.00 0.00 C ATOM 365 O VAL A 25 2.373 -0.336 -5.954 1.00 0.00 O ATOM 366 CB VAL A 25 2.537 -1.452 -8.607 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.666 -2.879 -8.063 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.488 -1.501 -10.138 1.00 0.00 C ATOM 0 H VAL A 25 2.000 0.995 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 25 0.411 -1.395 -8.304 1.00 0.00 H new ATOM 0 HB VAL A 25 3.398 -0.853 -8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.560 -3.346 -8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.742 -2.849 -6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.788 -3.458 -8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.395 -1.972 -10.516 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.620 -2.078 -10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.414 -0.487 -10.532 1.00 0.00 H new ATOM 378 N ASP A 26 0.286 -1.186 -5.823 1.00 0.00 N ATOM 379 CA ASP A 26 0.226 -1.277 -4.371 1.00 0.00 C ATOM 380 C ASP A 26 0.670 -2.674 -3.934 1.00 0.00 C ATOM 381 O ASP A 26 -0.085 -3.632 -4.085 1.00 0.00 O ATOM 382 CB ASP A 26 -1.198 -1.001 -3.874 1.00 0.00 C ATOM 383 CG ASP A 26 -1.348 -1.397 -2.410 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.351 -1.980 -2.016 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.318 -1.114 -1.569 1.00 0.00 O ATOM 0 H ASP A 26 -0.570 -1.497 -6.282 1.00 0.00 H new ATOM 0 HA ASP A 26 0.892 -0.529 -3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.431 0.057 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.913 -1.556 -4.480 1.00 0.00 H new ATOM 391 N PHE A 27 1.853 -2.786 -3.341 1.00 0.00 N ATOM 392 CA PHE A 27 2.344 -4.032 -2.777 1.00 0.00 C ATOM 393 C PHE A 27 1.668 -4.166 -1.406 1.00 0.00 C ATOM 394 O PHE A 27 1.739 -3.225 -0.612 1.00 0.00 O ATOM 395 CB PHE A 27 3.875 -4.003 -2.666 1.00 0.00 C ATOM 396 CG PHE A 27 4.639 -4.011 -3.983 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.569 -2.914 -4.865 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.530 -5.064 -4.269 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.305 -2.918 -6.062 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.306 -5.038 -5.442 1.00 0.00 C ATOM 401 CZ PHE A 27 6.172 -3.981 -6.356 1.00 0.00 C ATOM 0 H PHE A 27 2.502 -2.006 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 27 2.106 -4.890 -3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.162 -3.112 -2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.193 -4.864 -2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.947 -2.066 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.618 -5.895 -3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.203 -2.099 -6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.008 -5.835 -5.640 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.732 -3.986 -7.279 1.00 0.00 H new ATOM 411 N TRP A 28 0.987 -5.287 -1.138 1.00 0.00 N ATOM 412 CA TRP A 28 0.228 -5.510 0.091 1.00 0.00 C ATOM 413 C TRP A 28 0.274 -6.973 0.544 1.00 0.00 C ATOM 414 O TRP A 28 0.786 -7.833 -0.174 1.00 0.00 O ATOM 415 CB TRP A 28 -1.233 -5.103 -0.159 1.00 0.00 C ATOM 416 CG TRP A 28 -2.026 -6.024 -1.035 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.975 -6.071 -2.382 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.973 -7.059 -0.639 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.782 -7.089 -2.844 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.430 -7.730 -1.811 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.499 -7.493 0.595 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.349 -8.788 -1.761 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.424 -8.551 0.659 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.843 -9.203 -0.515 1.00 0.00 C ATOM 0 H TRP A 28 0.950 -6.076 -1.783 1.00 0.00 H new ATOM 0 HA TRP A 28 0.676 -4.909 0.882 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.738 -5.024 0.804 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.242 -4.109 -0.607 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.390 -5.411 -3.005 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.886 -7.337 -3.828 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.187 -7.005 1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.672 -9.276 -2.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.815 -8.865 1.616 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.544 -10.022 -0.457 1.00 0.00 H new ATOM 435 N ALA A 29 -0.310 -7.255 1.716 1.00 0.00 N ATOM 436 CA ALA A 29 -0.467 -8.590 2.285 1.00 0.00 C ATOM 437 C ALA A 29 -1.581 -8.550 3.330 1.00 0.00 C ATOM 438 O ALA A 29 -1.757 -7.529 3.992 1.00 0.00 O ATOM 439 CB ALA A 29 0.819 -9.070 2.949 1.00 0.00 C ATOM 0 H ALA A 29 -0.700 -6.526 2.314 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.712 -9.282 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.665 -10.067 3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.620 -9.102 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.093 -8.384 3.751 1.00 0.00 H new ATOM 445 N GLU A 30 -2.318 -9.655 3.476 1.00 0.00 N ATOM 446 CA GLU A 30 -3.442 -9.788 4.398 1.00 0.00 C ATOM 447 C GLU A 30 -3.089 -9.328 5.814 1.00 0.00 C ATOM 448 O GLU A 30 -3.811 -8.541 6.419 1.00 0.00 O ATOM 449 CB GLU A 30 -3.944 -11.243 4.446 1.00 0.00 C ATOM 450 CG GLU A 30 -4.297 -11.858 3.084 1.00 0.00 C ATOM 451 CD GLU A 30 -3.119 -12.599 2.454 1.00 0.00 C ATOM 452 OE1 GLU A 30 -2.265 -11.901 1.867 1.00 0.00 O ATOM 453 OE2 GLU A 30 -3.089 -13.841 2.578 1.00 0.00 O ATOM 0 H GLU A 30 -2.141 -10.504 2.939 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.232 -9.140 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.178 -11.859 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.826 -11.285 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.133 -12.547 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.630 -11.070 2.408 1.00 0.00 H new ATOM 460 N TRP A 31 -1.987 -9.854 6.353 1.00 0.00 N ATOM 461 CA TRP A 31 -1.549 -9.568 7.711 1.00 0.00 C ATOM 462 C TRP A 31 -1.264 -8.081 7.947 1.00 0.00 C ATOM 463 O TRP A 31 -1.425 -7.592 9.064 1.00 0.00 O ATOM 464 CB TRP A 31 -0.333 -10.436 8.054 1.00 0.00 C ATOM 465 CG TRP A 31 0.818 -10.379 7.092 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.041 -11.262 6.093 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.920 -9.421 7.028 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.180 -10.908 5.404 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.773 -9.786 5.944 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.291 -8.284 7.780 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.928 -9.061 5.619 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.447 -7.546 7.458 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.264 -7.931 6.381 1.00 0.00 C ATOM 0 H TRP A 31 -1.372 -10.495 5.851 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.370 -9.819 8.383 1.00 0.00 H new ATOM 0 HB2 TRP A 31 0.030 -10.143 9.039 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.663 -11.472 8.131 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.420 -12.116 5.869 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.540 -11.413 4.594 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.679 -7.976 8.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.552 -9.368 4.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.708 -6.677 8.044 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.148 -7.359 6.140 1.00 0.00 H new ATOM 484 N CYS A 32 -0.841 -7.347 6.915 1.00 0.00 N ATOM 485 CA CYS A 32 -0.521 -5.937 7.084 1.00 0.00 C ATOM 486 C CYS A 32 -1.794 -5.094 7.086 1.00 0.00 C ATOM 487 O CYS A 32 -2.123 -4.445 6.095 1.00 0.00 O ATOM 488 CB CYS A 32 0.490 -5.479 6.035 1.00 0.00 C ATOM 489 SG CYS A 32 0.873 -3.747 6.390 1.00 0.00 S ATOM 0 H CYS A 32 -0.715 -7.704 5.968 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.047 -5.796 8.055 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.392 -6.090 6.076 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.079 -5.585 5.031 1.00 0.00 H new ATOM 0 HG CYS A 32 2.007 -3.432 5.839 1.00 0.00 H new ATOM 495 N GLY A 33 -2.497 -5.112 8.225 1.00 0.00 N ATOM 496 CA GLY A 33 -3.736 -4.389 8.508 1.00 0.00 C ATOM 497 C GLY A 33 -3.961 -3.125 7.665 1.00 0.00 C ATOM 498 O GLY A 33 -4.937 -3.077 6.918 1.00 0.00 O ATOM 0 H GLY A 33 -2.193 -5.669 9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.577 -5.065 8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.743 -4.110 9.562 1.00 0.00 H new ATOM 502 N PRO A 34 -3.086 -2.103 7.759 1.00 0.00 N ATOM 503 CA PRO A 34 -3.173 -0.860 6.996 1.00 0.00 C ATOM 504 C PRO A 34 -3.536 -1.034 5.515 1.00 0.00 C ATOM 505 O PRO A 34 -4.239 -0.197 4.948 1.00 0.00 O ATOM 506 CB PRO A 34 -1.814 -0.184 7.171 1.00 0.00 C ATOM 507 CG PRO A 34 -1.414 -0.622 8.578 1.00 0.00 C ATOM 508 CD PRO A 34 -1.922 -2.063 8.634 1.00 0.00 C ATOM 0 HA PRO A 34 -3.997 -0.256 7.376 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.095 -0.515 6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.885 0.900 7.087 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.336 -0.566 8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.876 0.001 9.344 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.156 -2.762 8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.188 -2.346 9.653 1.00 0.00 H new ATOM 516 N CYS A 35 -3.101 -2.130 4.887 1.00 0.00 N ATOM 517 CA CYS A 35 -3.435 -2.438 3.500 1.00 0.00 C ATOM 518 C CYS A 35 -4.952 -2.410 3.307 1.00 0.00 C ATOM 519 O CYS A 35 -5.455 -1.840 2.339 1.00 0.00 O ATOM 520 CB CYS A 35 -2.887 -3.809 3.089 1.00 0.00 C ATOM 521 SG CYS A 35 -1.075 -3.798 3.100 1.00 0.00 S ATOM 0 H CYS A 35 -2.505 -2.829 5.331 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.973 -1.680 2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.256 -4.574 3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.249 -4.068 2.094 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.649 -3.693 4.324 1.00 0.00 H new ATOM 527 N LYS A 36 -5.688 -2.994 4.255 1.00 0.00 N ATOM 528 CA LYS A 36 -7.143 -3.027 4.240 1.00 0.00 C ATOM 529 C LYS A 36 -7.729 -1.627 4.424 1.00 0.00 C ATOM 530 O LYS A 36 -8.835 -1.364 3.961 1.00 0.00 O ATOM 531 CB LYS A 36 -7.672 -3.964 5.331 1.00 0.00 C ATOM 532 CG LYS A 36 -7.088 -5.379 5.230 1.00 0.00 C ATOM 533 CD LYS A 36 -7.784 -6.292 6.244 1.00 0.00 C ATOM 534 CE LYS A 36 -7.156 -7.689 6.219 1.00 0.00 C ATOM 535 NZ LYS A 36 -7.811 -8.592 7.182 1.00 0.00 N ATOM 0 H LYS A 36 -5.280 -3.462 5.064 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.456 -3.405 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.435 -3.546 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.759 -4.018 5.263 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.223 -5.769 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.015 -5.356 5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.701 -5.866 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.847 -6.359 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.235 -8.107 5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.094 -7.616 6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.362 -9.529 7.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.714 -8.205 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.820 -8.680 6.944 1.00 0.00 H new ATOM 549 N MET A 37 -6.998 -0.726 5.089 1.00 0.00 N ATOM 550 CA MET A 37 -7.445 0.639 5.312 1.00 0.00 C ATOM 551 C MET A 37 -7.288 1.437 4.019 1.00 0.00 C ATOM 552 O MET A 37 -8.195 2.175 3.642 1.00 0.00 O ATOM 553 CB MET A 37 -6.701 1.279 6.492 1.00 0.00 C ATOM 554 CG MET A 37 -6.792 0.433 7.769 1.00 0.00 C ATOM 555 SD MET A 37 -8.469 0.106 8.375 1.00 0.00 S ATOM 556 CE MET A 37 -8.084 -0.916 9.812 1.00 0.00 C ATOM 0 H MET A 37 -6.080 -0.930 5.485 1.00 0.00 H new ATOM 0 HA MET A 37 -8.500 0.639 5.584 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.653 1.418 6.225 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.115 2.269 6.685 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.298 -0.522 7.587 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.232 0.936 8.557 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.009 -1.209 10.308 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.546 -1.808 9.491 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.464 -0.349 10.506 1.00 0.00 H new ATOM 566 N ILE A 38 -6.156 1.287 3.320 1.00 0.00 N ATOM 567 CA ILE A 38 -5.978 1.987 2.051 1.00 0.00 C ATOM 568 C ILE A 38 -6.800 1.348 0.927 1.00 0.00 C ATOM 569 O ILE A 38 -7.199 2.057 0.009 1.00 0.00 O ATOM 570 CB ILE A 38 -4.506 2.195 1.661 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.775 0.874 1.403 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.774 3.040 2.711 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.469 1.096 0.643 1.00 0.00 C ATOM 0 H ILE A 38 -5.371 0.702 3.605 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.373 2.991 2.207 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.502 2.742 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.565 0.382 2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.420 0.205 0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.734 3.172 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.255 4.015 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.812 2.534 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.977 0.138 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.682 1.565 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.814 1.744 1.226 1.00 0.00 H new ATOM 585 N ALA A 39 -7.058 0.033 0.968 1.00 0.00 N ATOM 586 CA ALA A 39 -7.844 -0.680 -0.043 1.00 0.00 C ATOM 587 C ALA A 39 -9.055 0.119 -0.571 1.00 0.00 C ATOM 588 O ALA A 39 -9.094 0.387 -1.772 1.00 0.00 O ATOM 589 CB ALA A 39 -8.234 -2.076 0.458 1.00 0.00 C ATOM 0 H ALA A 39 -6.720 -0.572 1.717 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.197 -0.801 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.817 -2.588 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.333 -2.650 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.830 -1.983 1.366 1.00 0.00 H new ATOM 595 N PRO A 40 -10.029 0.533 0.262 1.00 0.00 N ATOM 596 CA PRO A 40 -11.162 1.324 -0.196 1.00 0.00 C ATOM 597 C PRO A 40 -10.711 2.623 -0.871 1.00 0.00 C ATOM 598 O PRO A 40 -11.268 2.999 -1.900 1.00 0.00 O ATOM 599 CB PRO A 40 -12.038 1.588 1.031 1.00 0.00 C ATOM 600 CG PRO A 40 -11.079 1.398 2.202 1.00 0.00 C ATOM 601 CD PRO A 40 -10.139 0.309 1.693 1.00 0.00 C ATOM 0 HA PRO A 40 -11.726 0.786 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.458 2.594 1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.876 0.893 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.543 2.317 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.602 1.091 3.108 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.164 0.373 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.536 -0.684 1.906 1.00 0.00 H new ATOM 609 N ILE A 41 -9.685 3.294 -0.340 1.00 0.00 N ATOM 610 CA ILE A 41 -9.155 4.508 -0.949 1.00 0.00 C ATOM 611 C ILE A 41 -8.702 4.160 -2.369 1.00 0.00 C ATOM 612 O ILE A 41 -9.118 4.798 -3.331 1.00 0.00 O ATOM 613 CB ILE A 41 -8.010 5.134 -0.124 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.364 5.226 1.371 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.696 6.533 -0.679 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.224 5.827 2.194 1.00 0.00 C ATOM 0 H ILE A 41 -9.206 3.012 0.515 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.937 5.267 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.135 4.490 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.260 5.834 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.599 4.231 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.888 6.981 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.393 6.451 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.584 7.161 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.517 5.873 3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.335 5.205 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.006 6.832 1.834 1.00 0.00 H new ATOM 628 N LEU A 42 -7.873 3.123 -2.507 1.00 0.00 N ATOM 629 CA LEU A 42 -7.390 2.659 -3.798 1.00 0.00 C ATOM 630 C LEU A 42 -8.564 2.323 -4.727 1.00 0.00 C ATOM 631 O LEU A 42 -8.533 2.686 -5.897 1.00 0.00 O ATOM 632 CB LEU A 42 -6.428 1.474 -3.621 1.00 0.00 C ATOM 633 CG LEU A 42 -5.070 1.862 -3.014 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.351 0.581 -2.585 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.179 2.605 -4.018 1.00 0.00 C ATOM 0 H LEU A 42 -7.519 2.582 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.826 3.462 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.900 0.727 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.261 1.006 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.254 2.527 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.384 0.835 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.954 0.056 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.202 -0.061 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.231 2.859 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.994 1.967 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.679 3.518 -4.342 1.00 0.00 H new ATOM 647 N ASP A 43 -9.605 1.656 -4.220 1.00 0.00 N ATOM 648 CA ASP A 43 -10.786 1.329 -5.017 1.00 0.00 C ATOM 649 C ASP A 43 -11.449 2.611 -5.531 1.00 0.00 C ATOM 650 O ASP A 43 -11.757 2.731 -6.718 1.00 0.00 O ATOM 651 CB ASP A 43 -11.786 0.499 -4.198 1.00 0.00 C ATOM 652 CG ASP A 43 -11.280 -0.898 -3.847 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.823 -1.593 -4.778 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.387 -1.262 -2.656 1.00 0.00 O ATOM 0 H ASP A 43 -9.651 1.331 -3.254 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.469 0.731 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.020 1.033 -3.277 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.716 0.409 -4.759 1.00 0.00 H new ATOM 659 N GLU A 44 -11.659 3.582 -4.641 1.00 0.00 N ATOM 660 CA GLU A 44 -12.260 4.861 -4.999 1.00 0.00 C ATOM 661 C GLU A 44 -11.414 5.525 -6.088 1.00 0.00 C ATOM 662 O GLU A 44 -11.933 5.909 -7.134 1.00 0.00 O ATOM 663 CB GLU A 44 -12.362 5.756 -3.761 1.00 0.00 C ATOM 664 CG GLU A 44 -13.352 5.224 -2.715 1.00 0.00 C ATOM 665 CD GLU A 44 -13.022 5.721 -1.308 1.00 0.00 C ATOM 666 OE1 GLU A 44 -12.450 6.830 -1.209 1.00 0.00 O ATOM 667 OE2 GLU A 44 -13.347 4.983 -0.353 1.00 0.00 O ATOM 0 H GLU A 44 -11.416 3.501 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.268 4.703 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.376 5.850 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.668 6.756 -4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.362 5.535 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.340 4.134 -2.726 1.00 0.00 H new ATOM 674 N ILE A 45 -10.104 5.628 -5.849 1.00 0.00 N ATOM 675 CA ILE A 45 -9.152 6.194 -6.793 1.00 0.00 C ATOM 676 C ILE A 45 -9.264 5.466 -8.138 1.00 0.00 C ATOM 677 O ILE A 45 -9.307 6.117 -9.178 1.00 0.00 O ATOM 678 CB ILE A 45 -7.730 6.138 -6.203 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.566 7.049 -4.967 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.647 6.457 -7.241 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.564 8.553 -5.250 1.00 0.00 C ATOM 0 H ILE A 45 -9.674 5.314 -4.979 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.381 7.244 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.593 5.105 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.372 6.830 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.632 6.790 -4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.665 6.403 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.699 5.734 -8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.806 7.461 -7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.443 9.099 -4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.740 8.796 -5.921 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.507 8.837 -5.716 1.00 0.00 H new ATOM 693 N ALA A 46 -9.320 4.130 -8.129 1.00 0.00 N ATOM 694 CA ALA A 46 -9.446 3.332 -9.343 1.00 0.00 C ATOM 695 C ALA A 46 -10.647 3.797 -10.163 1.00 0.00 C ATOM 696 O ALA A 46 -10.538 3.964 -11.374 1.00 0.00 O ATOM 697 CB ALA A 46 -9.535 1.842 -9.006 1.00 0.00 C ATOM 0 H ALA A 46 -9.279 3.574 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.552 3.476 -9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.628 1.266 -9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.634 1.535 -8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.406 1.663 -8.376 1.00 0.00 H new ATOM 703 N ASP A 47 -11.786 4.029 -9.505 1.00 0.00 N ATOM 704 CA ASP A 47 -12.966 4.527 -10.195 1.00 0.00 C ATOM 705 C ASP A 47 -12.753 5.971 -10.663 1.00 0.00 C ATOM 706 O ASP A 47 -12.900 6.272 -11.846 1.00 0.00 O ATOM 707 CB ASP A 47 -14.207 4.397 -9.308 1.00 0.00 C ATOM 708 CG ASP A 47 -15.443 4.876 -10.062 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.935 4.091 -10.902 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.855 6.027 -9.805 1.00 0.00 O ATOM 0 H ASP A 47 -11.910 3.880 -8.504 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.131 3.916 -11.083 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.338 3.359 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.076 4.983 -8.398 1.00 0.00 H new ATOM 715 N GLU A 48 -12.413 6.877 -9.744 1.00 0.00 N ATOM 716 CA GLU A 48 -12.206 8.293 -10.037 1.00 0.00 C ATOM 717 C GLU A 48 -11.283 8.500 -11.243 1.00 0.00 C ATOM 718 O GLU A 48 -11.593 9.275 -12.147 1.00 0.00 O ATOM 719 CB GLU A 48 -11.623 8.993 -8.805 1.00 0.00 C ATOM 720 CG GLU A 48 -12.630 9.124 -7.657 1.00 0.00 C ATOM 721 CD GLU A 48 -11.926 9.599 -6.389 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.804 10.831 -6.224 1.00 0.00 O ATOM 723 OE2 GLU A 48 -11.501 8.715 -5.616 1.00 0.00 O ATOM 0 H GLU A 48 -12.272 6.642 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.174 8.727 -10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.753 8.437 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.274 9.986 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.415 9.828 -7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.113 8.164 -7.476 1.00 0.00 H new ATOM 730 N TYR A 49 -10.140 7.814 -11.249 1.00 0.00 N ATOM 731 CA TYR A 49 -9.136 7.914 -12.295 1.00 0.00 C ATOM 732 C TYR A 49 -9.263 6.768 -13.309 1.00 0.00 C ATOM 733 O TYR A 49 -8.278 6.435 -13.967 1.00 0.00 O ATOM 734 CB TYR A 49 -7.734 7.950 -11.661 1.00 0.00 C ATOM 735 CG TYR A 49 -7.405 9.160 -10.802 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.911 9.256 -9.494 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.468 10.114 -11.251 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.491 10.291 -8.643 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.018 11.128 -10.385 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.523 11.210 -9.075 1.00 0.00 C ATOM 741 OH TYR A 49 -6.064 12.157 -8.209 1.00 0.00 O ATOM 0 H TYR A 49 -9.886 7.160 -10.508 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.297 8.840 -12.846 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.614 7.056 -11.050 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.997 7.890 -12.462 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.627 8.529 -9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.094 10.066 -12.263 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.914 10.380 -7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.285 11.843 -10.727 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.397 12.716 -8.659 1.00 0.00 H new ATOM 751 N GLN A 50 -10.444 6.154 -13.469 1.00 0.00 N ATOM 752 CA GLN A 50 -10.607 5.056 -14.411 1.00 0.00 C ATOM 753 C GLN A 50 -10.161 5.475 -15.816 1.00 0.00 C ATOM 754 O GLN A 50 -10.597 6.505 -16.328 1.00 0.00 O ATOM 755 CB GLN A 50 -12.048 4.530 -14.382 1.00 0.00 C ATOM 756 CG GLN A 50 -13.088 5.513 -14.938 1.00 0.00 C ATOM 757 CD GLN A 50 -14.502 5.057 -14.601 1.00 0.00 C ATOM 758 OE1 GLN A 50 -15.141 4.352 -15.375 1.00 0.00 O ATOM 759 NE2 GLN A 50 -14.992 5.431 -13.425 1.00 0.00 N ATOM 0 H GLN A 50 -11.291 6.403 -12.958 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.961 4.231 -14.109 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.097 3.604 -14.955 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.312 4.282 -13.354 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.913 6.506 -14.524 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.976 5.594 -16.019 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.435 6.018 -12.804 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.925 5.131 -13.143 1.00 0.00 H new ATOM 768 N GLY A 51 -9.249 4.707 -16.419 1.00 0.00 N ATOM 769 CA GLY A 51 -8.703 5.000 -17.740 1.00 0.00 C ATOM 770 C GLY A 51 -7.610 6.074 -17.721 1.00 0.00 C ATOM 771 O GLY A 51 -6.922 6.255 -18.722 1.00 0.00 O ATOM 0 H GLY A 51 -8.869 3.859 -15.998 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.295 4.084 -18.168 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.511 5.326 -18.395 1.00 0.00 H new ATOM 775 N LYS A 52 -7.434 6.779 -16.599 1.00 0.00 N ATOM 776 CA LYS A 52 -6.438 7.828 -16.420 1.00 0.00 C ATOM 777 C LYS A 52 -5.240 7.245 -15.667 1.00 0.00 C ATOM 778 O LYS A 52 -4.092 7.505 -16.019 1.00 0.00 O ATOM 779 CB LYS A 52 -7.052 9.016 -15.656 1.00 0.00 C ATOM 780 CG LYS A 52 -8.465 9.364 -16.146 1.00 0.00 C ATOM 781 CD LYS A 52 -9.029 10.585 -15.406 1.00 0.00 C ATOM 782 CE LYS A 52 -10.542 10.724 -15.630 1.00 0.00 C ATOM 783 NZ LYS A 52 -11.310 9.621 -15.017 1.00 0.00 N ATOM 0 H LYS A 52 -8.002 6.626 -15.766 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.103 8.197 -17.389 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.088 8.780 -14.592 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.407 9.888 -15.768 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.441 9.565 -17.217 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.125 8.509 -15.996 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.824 10.493 -14.339 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.524 11.487 -15.751 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.881 11.673 -15.215 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.746 10.753 -16.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.324 9.853 -15.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.147 8.745 -15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.001 9.487 -14.033 1.00 0.00 H new ATOM 797 N LEU A 53 -5.521 6.445 -14.634 1.00 0.00 N ATOM 798 CA LEU A 53 -4.536 5.773 -13.804 1.00 0.00 C ATOM 799 C LEU A 53 -4.983 4.325 -13.635 1.00 0.00 C ATOM 800 O LEU A 53 -6.133 4.072 -13.282 1.00 0.00 O ATOM 801 CB LEU A 53 -4.484 6.460 -12.436 1.00 0.00 C ATOM 802 CG LEU A 53 -3.465 5.850 -11.464 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.031 6.249 -11.828 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.800 6.344 -10.058 1.00 0.00 C ATOM 0 H LEU A 53 -6.479 6.245 -14.348 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.547 5.814 -14.261 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.246 7.514 -12.580 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.474 6.416 -11.982 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.523 4.763 -11.519 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.337 5.799 -11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.800 5.898 -12.834 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.935 7.334 -11.791 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.089 5.924 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.741 7.432 -10.031 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.809 6.029 -9.792 1.00 0.00 H new ATOM 816 N THR A 54 -4.073 3.378 -13.849 1.00 0.00 N ATOM 817 CA THR A 54 -4.358 1.968 -13.652 1.00 0.00 C ATOM 818 C THR A 54 -3.965 1.623 -12.217 1.00 0.00 C ATOM 819 O THR A 54 -2.786 1.454 -11.912 1.00 0.00 O ATOM 820 CB THR A 54 -3.585 1.150 -14.692 1.00 0.00 C ATOM 821 OG1 THR A 54 -3.945 1.583 -15.987 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.857 -0.350 -14.581 1.00 0.00 C ATOM 0 H THR A 54 -3.122 3.570 -14.163 1.00 0.00 H new ATOM 0 HA THR A 54 -5.414 1.735 -13.790 1.00 0.00 H new ATOM 0 HB THR A 54 -2.523 1.310 -14.504 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.451 1.063 -16.655 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.284 -0.881 -15.341 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.561 -0.701 -13.592 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.920 -0.539 -14.730 1.00 0.00 H new ATOM 830 N VAL A 55 -4.936 1.515 -11.313 1.00 0.00 N ATOM 831 CA VAL A 55 -4.630 1.141 -9.943 1.00 0.00 C ATOM 832 C VAL A 55 -4.436 -0.374 -9.935 1.00 0.00 C ATOM 833 O VAL A 55 -5.230 -1.107 -10.525 1.00 0.00 O ATOM 834 CB VAL A 55 -5.741 1.599 -8.993 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.425 1.190 -7.549 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.876 3.126 -9.033 1.00 0.00 C ATOM 0 H VAL A 55 -5.924 1.679 -11.504 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.723 1.629 -9.587 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.668 1.126 -9.318 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.227 1.526 -6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.337 0.105 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.486 1.648 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.669 3.439 -8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.935 3.583 -8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.121 3.443 -10.047 1.00 0.00 H new ATOM 846 N ALA A 56 -3.365 -0.847 -9.300 1.00 0.00 N ATOM 847 CA ALA A 56 -3.033 -2.255 -9.252 1.00 0.00 C ATOM 848 C ALA A 56 -2.658 -2.658 -7.832 1.00 0.00 C ATOM 849 O ALA A 56 -2.170 -1.839 -7.055 1.00 0.00 O ATOM 850 CB ALA A 56 -1.905 -2.531 -10.245 1.00 0.00 C ATOM 0 H ALA A 56 -2.703 -0.252 -8.802 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.896 -2.858 -9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.647 -3.590 -10.217 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.231 -2.263 -11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.031 -1.937 -9.977 1.00 0.00 H new ATOM 856 N LYS A 57 -2.877 -3.928 -7.497 1.00 0.00 N ATOM 857 CA LYS A 57 -2.555 -4.504 -6.201 1.00 0.00 C ATOM 858 C LYS A 57 -1.694 -5.739 -6.439 1.00 0.00 C ATOM 859 O LYS A 57 -1.947 -6.497 -7.369 1.00 0.00 O ATOM 860 CB LYS A 57 -3.835 -4.850 -5.427 1.00 0.00 C ATOM 861 CG LYS A 57 -4.301 -3.671 -4.563 1.00 0.00 C ATOM 862 CD LYS A 57 -5.573 -4.031 -3.778 1.00 0.00 C ATOM 863 CE LYS A 57 -5.977 -2.927 -2.793 1.00 0.00 C ATOM 864 NZ LYS A 57 -5.044 -2.835 -1.654 1.00 0.00 N ATOM 0 H LYS A 57 -3.295 -4.600 -8.140 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.005 -3.787 -5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.623 -5.124 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.656 -5.719 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.509 -3.389 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.493 -2.805 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.391 -4.210 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.411 -4.961 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.009 -1.970 -3.314 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.983 -3.122 -2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.424 -2.174 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.928 -3.774 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.121 -2.492 -1.988 1.00 0.00 H new ATOM 878 N LEU A 58 -0.669 -5.937 -5.610 1.00 0.00 N ATOM 879 CA LEU A 58 0.243 -7.062 -5.703 1.00 0.00 C ATOM 880 C LEU A 58 0.368 -7.682 -4.315 1.00 0.00 C ATOM 881 O LEU A 58 0.754 -7.006 -3.364 1.00 0.00 O ATOM 882 CB LEU A 58 1.558 -6.561 -6.292 1.00 0.00 C ATOM 883 CG LEU A 58 2.539 -7.705 -6.580 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.364 -7.301 -7.796 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.478 -7.961 -5.395 1.00 0.00 C ATOM 0 H LEU A 58 -0.451 -5.303 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.113 -7.849 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.357 -6.017 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.018 -5.856 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 58 1.979 -8.623 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.075 -8.092 -8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.703 -7.142 -8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.905 -6.380 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.157 -8.778 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.055 -7.060 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.891 -8.227 -4.516 1.00 0.00 H new ATOM 897 N ASN A 59 0.002 -8.958 -4.188 1.00 0.00 N ATOM 898 CA ASN A 59 -0.017 -9.654 -2.912 1.00 0.00 C ATOM 899 C ASN A 59 1.348 -10.273 -2.620 1.00 0.00 C ATOM 900 O ASN A 59 1.648 -11.354 -3.121 1.00 0.00 O ATOM 901 CB ASN A 59 -1.105 -10.728 -2.954 1.00 0.00 C ATOM 902 CG ASN A 59 -1.154 -11.442 -1.615 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.458 -12.427 -1.409 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.947 -10.933 -0.681 1.00 0.00 N ATOM 0 H ASN A 59 -0.290 -9.536 -4.976 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.236 -8.948 -2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.072 -10.275 -3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.898 -11.441 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.989 -11.364 0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.514 -10.111 -0.886 1.00 0.00 H new ATOM 911 N ILE A 60 2.187 -9.631 -1.803 1.00 0.00 N ATOM 912 CA ILE A 60 3.523 -10.162 -1.541 1.00 0.00 C ATOM 913 C ILE A 60 3.506 -11.575 -0.945 1.00 0.00 C ATOM 914 O ILE A 60 4.425 -12.346 -1.203 1.00 0.00 O ATOM 915 CB ILE A 60 4.429 -9.183 -0.774 1.00 0.00 C ATOM 916 CG1 ILE A 60 3.979 -8.955 0.675 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.534 -7.856 -1.541 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.092 -8.347 1.533 1.00 0.00 C ATOM 0 H ILE A 60 1.969 -8.759 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 60 3.989 -10.270 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 60 5.417 -9.639 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.112 -8.295 0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.663 -9.903 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.177 -7.168 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.958 -8.039 -2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.542 -7.418 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.729 -8.203 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.950 -9.019 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.390 -7.386 1.114 1.00 0.00 H new ATOM 930 N ASP A 61 2.464 -11.951 -0.194 1.00 0.00 N ATOM 931 CA ASP A 61 2.367 -13.305 0.357 1.00 0.00 C ATOM 932 C ASP A 61 2.324 -14.366 -0.750 1.00 0.00 C ATOM 933 O ASP A 61 2.687 -15.516 -0.510 1.00 0.00 O ATOM 934 CB ASP A 61 1.158 -13.462 1.293 1.00 0.00 C ATOM 935 CG ASP A 61 1.267 -12.703 2.613 1.00 0.00 C ATOM 936 OD1 ASP A 61 2.374 -12.209 2.929 1.00 0.00 O ATOM 937 OD2 ASP A 61 0.228 -12.631 3.303 1.00 0.00 O ATOM 0 H ASP A 61 1.682 -11.341 0.044 1.00 0.00 H new ATOM 0 HA ASP A 61 3.270 -13.462 0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.264 -13.124 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.019 -14.521 1.510 1.00 0.00 H new ATOM 942 N GLN A 62 1.857 -14.015 -1.952 1.00 0.00 N ATOM 943 CA GLN A 62 1.792 -14.911 -3.104 1.00 0.00 C ATOM 944 C GLN A 62 2.739 -14.447 -4.216 1.00 0.00 C ATOM 945 O GLN A 62 2.954 -15.161 -5.195 1.00 0.00 O ATOM 946 CB GLN A 62 0.341 -14.987 -3.598 1.00 0.00 C ATOM 947 CG GLN A 62 -0.617 -15.543 -2.529 1.00 0.00 C ATOM 948 CD GLN A 62 -0.377 -17.014 -2.197 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.107 -17.880 -2.664 1.00 0.00 O ATOM 950 NE2 GLN A 62 0.633 -17.328 -1.388 1.00 0.00 N ATOM 0 H GLN A 62 1.506 -13.078 -2.153 1.00 0.00 H new ATOM 0 HA GLN A 62 2.118 -15.908 -2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.010 -13.992 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.295 -15.618 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.514 -14.952 -1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.644 -15.420 -2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.230 -16.593 -1.009 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.810 -18.303 -1.148 1.00 0.00 H new ATOM 959 N ASN A 63 3.288 -13.238 -4.097 1.00 0.00 N ATOM 960 CA ASN A 63 4.171 -12.625 -5.077 1.00 0.00 C ATOM 961 C ASN A 63 5.376 -12.023 -4.339 1.00 0.00 C ATOM 962 O ASN A 63 5.617 -10.821 -4.437 1.00 0.00 O ATOM 963 CB ASN A 63 3.385 -11.535 -5.834 1.00 0.00 C ATOM 964 CG ASN A 63 1.958 -11.891 -6.245 1.00 0.00 C ATOM 965 OD1 ASN A 63 1.063 -11.053 -6.158 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.706 -13.121 -6.687 1.00 0.00 N ATOM 0 H ASN A 63 3.122 -12.642 -3.286 1.00 0.00 H new ATOM 0 HA ASN A 63 4.531 -13.360 -5.797 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.348 -10.643 -5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.944 -11.272 -6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.758 -13.381 -6.960 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.461 -13.804 -6.753 1.00 0.00 H new ATOM 973 N PRO A 64 6.139 -12.821 -3.573 1.00 0.00 N ATOM 974 CA PRO A 64 7.227 -12.303 -2.759 1.00 0.00 C ATOM 975 C PRO A 64 8.344 -11.677 -3.587 1.00 0.00 C ATOM 976 O PRO A 64 8.774 -10.570 -3.279 1.00 0.00 O ATOM 977 CB PRO A 64 7.720 -13.482 -1.915 1.00 0.00 C ATOM 978 CG PRO A 64 7.291 -14.714 -2.714 1.00 0.00 C ATOM 979 CD PRO A 64 5.986 -14.254 -3.367 1.00 0.00 C ATOM 0 HA PRO A 64 6.877 -11.485 -2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.801 -13.451 -1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.273 -13.476 -0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.038 -14.995 -3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.138 -15.581 -2.071 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.816 -14.771 -4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.130 -14.470 -2.728 1.00 0.00 H new ATOM 987 N GLY A 65 8.819 -12.387 -4.617 1.00 0.00 N ATOM 988 CA GLY A 65 9.924 -11.985 -5.485 1.00 0.00 C ATOM 989 C GLY A 65 9.932 -10.500 -5.859 1.00 0.00 C ATOM 990 O GLY A 65 10.988 -9.869 -5.899 1.00 0.00 O ATOM 0 H GLY A 65 8.427 -13.292 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.864 -12.227 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.884 -12.577 -6.400 1.00 0.00 H new ATOM 994 N THR A 66 8.759 -9.932 -6.141 1.00 0.00 N ATOM 995 CA THR A 66 8.638 -8.542 -6.531 1.00 0.00 C ATOM 996 C THR A 66 9.194 -7.578 -5.468 1.00 0.00 C ATOM 997 O THR A 66 9.693 -6.511 -5.815 1.00 0.00 O ATOM 998 CB THR A 66 7.183 -8.262 -6.924 1.00 0.00 C ATOM 999 OG1 THR A 66 6.582 -9.447 -7.406 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.130 -7.214 -8.039 1.00 0.00 C ATOM 0 H THR A 66 7.870 -10.430 -6.103 1.00 0.00 H new ATOM 0 HA THR A 66 9.264 -8.355 -7.404 1.00 0.00 H new ATOM 0 HB THR A 66 6.653 -7.898 -6.044 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.124 -9.816 -8.134 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.092 -7.023 -8.310 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.590 -6.289 -7.691 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.671 -7.583 -8.911 1.00 0.00 H new ATOM 1008 N ALA A 67 9.139 -7.932 -4.179 1.00 0.00 N ATOM 1009 CA ALA A 67 9.656 -7.076 -3.116 1.00 0.00 C ATOM 1010 C ALA A 67 11.161 -6.792 -3.268 1.00 0.00 C ATOM 1011 O ALA A 67 11.520 -5.633 -3.499 1.00 0.00 O ATOM 1012 CB ALA A 67 9.247 -7.605 -1.737 1.00 0.00 C ATOM 0 H ALA A 67 8.739 -8.811 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 67 9.188 -6.096 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.645 -6.949 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.160 -7.632 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.645 -8.610 -1.600 1.00 0.00 H new ATOM 1018 N PRO A 68 12.061 -7.789 -3.162 1.00 0.00 N ATOM 1019 CA PRO A 68 13.486 -7.565 -3.340 1.00 0.00 C ATOM 1020 C PRO A 68 13.790 -7.003 -4.729 1.00 0.00 C ATOM 1021 O PRO A 68 14.680 -6.163 -4.842 1.00 0.00 O ATOM 1022 CB PRO A 68 14.179 -8.906 -3.079 1.00 0.00 C ATOM 1023 CG PRO A 68 13.081 -9.931 -3.341 1.00 0.00 C ATOM 1024 CD PRO A 68 11.823 -9.194 -2.881 1.00 0.00 C ATOM 0 HA PRO A 68 13.859 -6.815 -2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.032 -9.053 -3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.554 -8.972 -2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.027 -10.208 -4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.241 -10.850 -2.778 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.942 -9.555 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.642 -9.355 -1.818 1.00 0.00 H new ATOM 1032 N LYS A 69 13.054 -7.410 -5.776 1.00 0.00 N ATOM 1033 CA LYS A 69 13.257 -6.864 -7.119 1.00 0.00 C ATOM 1034 C LYS A 69 13.233 -5.328 -7.129 1.00 0.00 C ATOM 1035 O LYS A 69 13.950 -4.722 -7.921 1.00 0.00 O ATOM 1036 CB LYS A 69 12.231 -7.438 -8.107 1.00 0.00 C ATOM 1037 CG LYS A 69 12.584 -8.877 -8.507 1.00 0.00 C ATOM 1038 CD LYS A 69 11.434 -9.601 -9.221 1.00 0.00 C ATOM 1039 CE LYS A 69 10.904 -8.846 -10.445 1.00 0.00 C ATOM 1040 NZ LYS A 69 9.867 -9.628 -11.141 1.00 0.00 N ATOM 0 H LYS A 69 12.317 -8.113 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 69 14.252 -7.170 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.239 -7.417 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.190 -6.811 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.457 -8.863 -9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.861 -9.439 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.774 -10.589 -9.532 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.617 -9.753 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.493 -7.886 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.725 -8.634 -11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.317 -9.000 -11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.318 -10.371 -11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.234 -10.065 -10.441 1.00 0.00 H new ATOM 1054 N TYR A 70 12.443 -4.697 -6.248 1.00 0.00 N ATOM 1055 CA TYR A 70 12.392 -3.241 -6.121 1.00 0.00 C ATOM 1056 C TYR A 70 12.907 -2.781 -4.753 1.00 0.00 C ATOM 1057 O TYR A 70 12.651 -1.648 -4.349 1.00 0.00 O ATOM 1058 CB TYR A 70 10.971 -2.745 -6.420 1.00 0.00 C ATOM 1059 CG TYR A 70 10.576 -2.974 -7.864 1.00 0.00 C ATOM 1060 CD1 TYR A 70 11.135 -2.170 -8.876 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.875 -4.141 -8.213 1.00 0.00 C ATOM 1062 CE1 TYR A 70 11.090 -2.596 -10.215 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.873 -4.592 -9.542 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.535 -3.847 -10.531 1.00 0.00 C ATOM 1065 OH TYR A 70 10.657 -4.348 -11.790 1.00 0.00 O ATOM 0 H TYR A 70 11.822 -5.187 -5.604 1.00 0.00 H new ATOM 0 HA TYR A 70 13.060 -2.793 -6.856 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.265 -3.257 -5.767 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.904 -1.681 -6.191 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.598 -1.227 -8.624 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.336 -4.692 -7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.481 -1.963 -10.998 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.364 -5.508 -9.803 1.00 0.00 H new ATOM 0 HH TYR A 70 10.217 -5.223 -11.838 1.00 0.00 H new ATOM 1075 N GLY A 71 13.643 -3.644 -4.043 1.00 0.00 N ATOM 1076 CA GLY A 71 14.215 -3.363 -2.734 1.00 0.00 C ATOM 1077 C GLY A 71 13.187 -2.756 -1.782 1.00 0.00 C ATOM 1078 O GLY A 71 13.492 -1.817 -1.048 1.00 0.00 O ATOM 0 H GLY A 71 13.860 -4.582 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.608 -4.284 -2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.056 -2.679 -2.845 1.00 0.00 H new ATOM 1082 N ILE A 72 11.958 -3.272 -1.805 1.00 0.00 N ATOM 1083 CA ILE A 72 10.893 -2.735 -0.970 1.00 0.00 C ATOM 1084 C ILE A 72 11.198 -2.972 0.512 1.00 0.00 C ATOM 1085 O ILE A 72 11.685 -4.030 0.903 1.00 0.00 O ATOM 1086 CB ILE A 72 9.536 -3.269 -1.458 1.00 0.00 C ATOM 1087 CG1 ILE A 72 9.205 -2.514 -2.758 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.429 -3.077 -0.418 1.00 0.00 C ATOM 1089 CD1 ILE A 72 7.971 -3.049 -3.475 1.00 0.00 C ATOM 0 H ILE A 72 11.680 -4.058 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 72 10.833 -1.651 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 72 9.598 -4.344 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.053 -1.460 -2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.060 -2.573 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.490 -3.470 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.692 -3.609 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.315 -2.015 -0.200 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.798 -2.470 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.127 -4.095 -3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.104 -2.965 -2.820 1.00 0.00 H new ATOM 1101 N ARG A 73 10.920 -1.948 1.325 1.00 0.00 N ATOM 1102 CA ARG A 73 11.191 -1.914 2.755 1.00 0.00 C ATOM 1103 C ARG A 73 10.132 -2.692 3.541 1.00 0.00 C ATOM 1104 O ARG A 73 10.458 -3.405 4.485 1.00 0.00 O ATOM 1105 CB ARG A 73 11.182 -0.449 3.218 1.00 0.00 C ATOM 1106 CG ARG A 73 12.490 0.317 2.984 1.00 0.00 C ATOM 1107 CD ARG A 73 13.007 0.299 1.541 1.00 0.00 C ATOM 1108 NE ARG A 73 14.106 1.257 1.378 1.00 0.00 N ATOM 1109 CZ ARG A 73 14.828 1.425 0.260 1.00 0.00 C ATOM 1110 NH1 ARG A 73 14.658 0.623 -0.795 1.00 0.00 N ATOM 1111 NH2 ARG A 73 15.730 2.412 0.207 1.00 0.00 N ATOM 0 H ARG A 73 10.484 -1.090 0.987 1.00 0.00 H new ATOM 0 HA ARG A 73 12.160 -2.377 2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.376 0.073 2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.949 -0.422 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.345 1.354 3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 73 13.259 -0.101 3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.349 -0.703 1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.197 0.546 0.855 1.00 0.00 H new ATOM 0 HE ARG A 73 14.340 1.843 2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.971 -0.130 -0.758 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.215 0.764 -1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.862 3.026 1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 73 16.285 2.550 -0.637 1.00 0.00 H new ATOM 1125 N GLY A 74 8.861 -2.531 3.171 1.00 0.00 N ATOM 1126 CA GLY A 74 7.741 -3.168 3.839 1.00 0.00 C ATOM 1127 C GLY A 74 6.491 -2.921 3.009 1.00 0.00 C ATOM 1128 O GLY A 74 6.599 -2.681 1.808 1.00 0.00 O ATOM 0 H GLY A 74 8.583 -1.943 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.921 -4.238 3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.617 -2.763 4.843 1.00 0.00 H new ATOM 1132 N ILE A 75 5.311 -2.946 3.626 1.00 0.00 N ATOM 1133 CA ILE A 75 4.038 -2.722 2.955 1.00 0.00 C ATOM 1134 C ILE A 75 3.093 -2.004 3.930 1.00 0.00 C ATOM 1135 O ILE A 75 3.299 -2.131 5.138 1.00 0.00 O ATOM 1136 CB ILE A 75 3.451 -4.067 2.485 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.568 -5.138 3.581 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.128 -4.543 1.192 1.00 0.00 C ATOM 1139 CD1 ILE A 75 2.593 -6.285 3.333 1.00 0.00 C ATOM 0 H ILE A 75 5.214 -3.126 4.625 1.00 0.00 H new ATOM 0 HA ILE A 75 4.174 -2.097 2.072 1.00 0.00 H new ATOM 0 HB ILE A 75 2.393 -3.909 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.587 -5.523 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.368 -4.690 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.694 -5.494 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.975 -3.802 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.196 -4.671 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.697 -7.028 4.123 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.573 -5.901 3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.811 -6.746 2.370 1.00 0.00 H new ATOM 1151 N PRO A 76 2.066 -1.274 3.461 1.00 0.00 N ATOM 1152 CA PRO A 76 1.730 -1.048 2.062 1.00 0.00 C ATOM 1153 C PRO A 76 2.771 -0.137 1.417 1.00 0.00 C ATOM 1154 O PRO A 76 3.255 0.790 2.062 1.00 0.00 O ATOM 1155 CB PRO A 76 0.356 -0.375 2.071 1.00 0.00 C ATOM 1156 CG PRO A 76 0.326 0.354 3.412 1.00 0.00 C ATOM 1157 CD PRO A 76 1.129 -0.577 4.324 1.00 0.00 C ATOM 0 HA PRO A 76 1.715 -1.976 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.242 0.316 1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.449 -1.105 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.779 1.343 3.345 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.693 0.494 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.654 -0.011 5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.474 -1.281 4.837 1.00 0.00 H new ATOM 1165 N THR A 77 3.119 -0.412 0.160 1.00 0.00 N ATOM 1166 CA THR A 77 4.093 0.375 -0.583 1.00 0.00 C ATOM 1167 C THR A 77 3.565 0.532 -2.005 1.00 0.00 C ATOM 1168 O THR A 77 3.288 -0.467 -2.666 1.00 0.00 O ATOM 1169 CB THR A 77 5.475 -0.292 -0.508 1.00 0.00 C ATOM 1170 OG1 THR A 77 5.948 -0.211 0.817 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.496 0.400 -1.409 1.00 0.00 C ATOM 0 H THR A 77 2.729 -1.191 -0.371 1.00 0.00 H new ATOM 0 HA THR A 77 4.225 1.370 -0.157 1.00 0.00 H new ATOM 0 HB THR A 77 5.361 -1.325 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.274 -1.090 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.458 -0.105 -1.324 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.155 0.359 -2.444 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.604 1.441 -1.104 1.00 0.00 H new ATOM 1179 N LEU A 78 3.396 1.779 -2.451 1.00 0.00 N ATOM 1180 CA LEU A 78 2.842 2.131 -3.747 1.00 0.00 C ATOM 1181 C LEU A 78 3.972 2.563 -4.679 1.00 0.00 C ATOM 1182 O LEU A 78 4.653 3.542 -4.377 1.00 0.00 O ATOM 1183 CB LEU A 78 1.810 3.269 -3.617 1.00 0.00 C ATOM 1184 CG LEU A 78 1.027 3.343 -2.296 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.065 4.534 -2.338 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.217 2.076 -2.016 1.00 0.00 C ATOM 0 H LEU A 78 3.652 2.595 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 78 2.335 1.258 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.329 4.217 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.093 3.173 -4.433 1.00 0.00 H new ATOM 0 HG LEU A 78 1.762 3.455 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.490 4.586 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.632 5.455 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.632 4.410 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.315 2.186 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.501 1.918 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.889 1.220 -1.957 1.00 0.00 H new ATOM 1198 N LEU A 79 4.164 1.875 -5.808 1.00 0.00 N ATOM 1199 CA LEU A 79 5.140 2.243 -6.832 1.00 0.00 C ATOM 1200 C LEU A 79 4.338 2.711 -8.038 1.00 0.00 C ATOM 1201 O LEU A 79 3.522 1.951 -8.557 1.00 0.00 O ATOM 1202 CB LEU A 79 6.019 1.052 -7.240 1.00 0.00 C ATOM 1203 CG LEU A 79 7.257 0.835 -6.359 1.00 0.00 C ATOM 1204 CD1 LEU A 79 6.891 0.359 -4.955 1.00 0.00 C ATOM 1205 CD2 LEU A 79 8.195 -0.192 -6.999 1.00 0.00 C ATOM 0 H LEU A 79 3.636 1.033 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 79 5.807 3.015 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.412 0.147 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.344 1.194 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 79 7.755 1.801 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.800 0.220 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.259 1.104 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.353 -0.587 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.068 -0.334 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.671 -1.141 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.515 0.167 -7.977 1.00 0.00 H new ATOM 1217 N LEU A 80 4.556 3.947 -8.489 1.00 0.00 N ATOM 1218 CA LEU A 80 3.840 4.492 -9.628 1.00 0.00 C ATOM 1219 C LEU A 80 4.687 4.269 -10.878 1.00 0.00 C ATOM 1220 O LEU A 80 5.585 5.050 -11.181 1.00 0.00 O ATOM 1221 CB LEU A 80 3.491 5.949 -9.334 1.00 0.00 C ATOM 1222 CG LEU A 80 2.649 6.645 -10.419 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.714 5.727 -11.219 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.764 7.679 -9.723 1.00 0.00 C ATOM 0 H LEU A 80 5.231 4.590 -8.074 1.00 0.00 H new ATOM 0 HA LEU A 80 2.890 3.990 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.949 5.994 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.416 6.509 -9.198 1.00 0.00 H new ATOM 0 HG LEU A 80 3.363 7.061 -11.130 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.168 6.316 -11.956 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.302 4.964 -11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.007 5.248 -10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.152 8.192 -10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.117 7.178 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.391 8.405 -9.205 1.00 0.00 H new ATOM 1236 N PHE A 81 4.395 3.179 -11.587 1.00 0.00 N ATOM 1237 CA PHE A 81 5.090 2.743 -12.786 1.00 0.00 C ATOM 1238 C PHE A 81 4.466 3.369 -14.029 1.00 0.00 C ATOM 1239 O PHE A 81 3.430 2.899 -14.494 1.00 0.00 O ATOM 1240 CB PHE A 81 5.001 1.213 -12.881 1.00 0.00 C ATOM 1241 CG PHE A 81 5.983 0.469 -11.999 1.00 0.00 C ATOM 1242 CD1 PHE A 81 7.240 0.108 -12.512 1.00 0.00 C ATOM 1243 CD2 PHE A 81 5.601 0.027 -10.721 1.00 0.00 C ATOM 1244 CE1 PHE A 81 8.106 -0.712 -11.769 1.00 0.00 C ATOM 1245 CE2 PHE A 81 6.456 -0.814 -9.987 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.727 -1.140 -10.488 1.00 0.00 C ATOM 0 H PHE A 81 3.634 2.552 -11.326 1.00 0.00 H new ATOM 0 HA PHE A 81 6.132 3.058 -12.729 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.990 0.904 -12.618 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.166 0.916 -13.917 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.543 0.464 -13.486 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.653 0.333 -10.304 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.058 -1.011 -12.182 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.134 -1.210 -9.035 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.412 -1.720 -9.887 1.00 0.00 H new ATOM 1256 N LYS A 82 5.115 4.378 -14.609 1.00 0.00 N ATOM 1257 CA LYS A 82 4.694 4.973 -15.866 1.00 0.00 C ATOM 1258 C LYS A 82 5.432 4.227 -16.974 1.00 0.00 C ATOM 1259 O LYS A 82 6.642 4.386 -17.126 1.00 0.00 O ATOM 1260 CB LYS A 82 4.968 6.483 -15.876 1.00 0.00 C ATOM 1261 CG LYS A 82 4.083 7.197 -14.844 1.00 0.00 C ATOM 1262 CD LYS A 82 4.223 8.726 -14.906 1.00 0.00 C ATOM 1263 CE LYS A 82 3.445 9.335 -16.080 1.00 0.00 C ATOM 1264 NZ LYS A 82 3.577 10.804 -16.102 1.00 0.00 N ATOM 0 H LYS A 82 5.953 4.805 -14.213 1.00 0.00 H new ATOM 0 HA LYS A 82 3.619 4.876 -16.016 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.019 6.669 -15.654 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.776 6.887 -16.870 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.041 6.924 -15.012 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.346 6.852 -13.844 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.865 9.160 -13.972 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.277 8.989 -14.996 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.813 8.920 -17.018 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.392 9.063 -16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.912 11.202 -16.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.364 11.186 -15.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.549 11.061 -16.368 1.00 0.00 H new ATOM 1278 N ASN A 83 4.718 3.375 -17.716 1.00 0.00 N ATOM 1279 CA ASN A 83 5.284 2.571 -18.795 1.00 0.00 C ATOM 1280 C ASN A 83 6.550 1.847 -18.334 1.00 0.00 C ATOM 1281 O ASN A 83 7.599 1.932 -18.969 1.00 0.00 O ATOM 1282 CB ASN A 83 5.539 3.428 -20.044 1.00 0.00 C ATOM 1283 CG ASN A 83 4.253 4.007 -20.618 1.00 0.00 C ATOM 1284 OD1 ASN A 83 3.988 5.199 -20.500 1.00 0.00 O ATOM 1285 ND2 ASN A 83 3.423 3.170 -21.232 1.00 0.00 N ATOM 0 H ASN A 83 3.718 3.225 -17.580 1.00 0.00 H new ATOM 0 HA ASN A 83 4.556 1.807 -19.068 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.220 4.241 -19.792 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.033 2.822 -20.803 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.544 3.515 -21.617 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.665 2.183 -21.318 1.00 0.00 H new ATOM 1292 N GLY A 84 6.458 1.143 -17.203 1.00 0.00 N ATOM 1293 CA GLY A 84 7.574 0.394 -16.648 1.00 0.00 C ATOM 1294 C GLY A 84 8.585 1.246 -15.876 1.00 0.00 C ATOM 1295 O GLY A 84 9.376 0.687 -15.119 1.00 0.00 O ATOM 0 H GLY A 84 5.603 1.080 -16.650 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.184 -0.377 -15.983 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.092 -0.117 -17.459 1.00 0.00 H new ATOM 1299 N GLU A 85 8.571 2.576 -16.019 1.00 0.00 N ATOM 1300 CA GLU A 85 9.494 3.446 -15.307 1.00 0.00 C ATOM 1301 C GLU A 85 8.857 3.912 -14.002 1.00 0.00 C ATOM 1302 O GLU A 85 7.816 4.568 -14.020 1.00 0.00 O ATOM 1303 CB GLU A 85 9.867 4.648 -16.183 1.00 0.00 C ATOM 1304 CG GLU A 85 10.611 4.190 -17.440 1.00 0.00 C ATOM 1305 CD GLU A 85 10.908 5.363 -18.367 1.00 0.00 C ATOM 1306 OE1 GLU A 85 11.895 6.075 -18.076 1.00 0.00 O ATOM 1307 OE2 GLU A 85 10.143 5.534 -19.340 1.00 0.00 O ATOM 0 H GLU A 85 7.921 3.071 -16.630 1.00 0.00 H new ATOM 0 HA GLU A 85 10.405 2.893 -15.076 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.966 5.192 -16.466 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.491 5.338 -15.616 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.544 3.703 -17.156 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.013 3.448 -17.969 1.00 0.00 H new ATOM 1314 N VAL A 86 9.486 3.599 -12.868 1.00 0.00 N ATOM 1315 CA VAL A 86 9.016 4.068 -11.570 1.00 0.00 C ATOM 1316 C VAL A 86 9.141 5.595 -11.562 1.00 0.00 C ATOM 1317 O VAL A 86 10.248 6.124 -11.480 1.00 0.00 O ATOM 1318 CB VAL A 86 9.814 3.422 -10.421 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.350 3.962 -9.061 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.623 1.902 -10.411 1.00 0.00 C ATOM 0 H VAL A 86 10.325 3.020 -12.826 1.00 0.00 H new ATOM 0 HA VAL A 86 7.977 3.780 -11.413 1.00 0.00 H new ATOM 0 HB VAL A 86 10.863 3.668 -10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.928 3.491 -8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.500 5.041 -9.028 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.292 3.738 -8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.196 1.469 -9.591 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.567 1.669 -10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.970 1.485 -11.356 1.00 0.00 H new ATOM 1330 N ALA A 87 8.014 6.302 -11.654 1.00 0.00 N ATOM 1331 CA ALA A 87 7.978 7.756 -11.670 1.00 0.00 C ATOM 1332 C ALA A 87 8.133 8.281 -10.247 1.00 0.00 C ATOM 1333 O ALA A 87 8.833 9.263 -10.016 1.00 0.00 O ATOM 1334 CB ALA A 87 6.655 8.220 -12.283 1.00 0.00 C ATOM 0 H ALA A 87 7.092 5.871 -11.720 1.00 0.00 H new ATOM 0 HA ALA A 87 8.797 8.147 -12.273 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.623 9.309 -12.297 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.573 7.841 -13.302 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.825 7.840 -11.687 1.00 0.00 H new ATOM 1340 N ALA A 88 7.500 7.601 -9.287 1.00 0.00 N ATOM 1341 CA ALA A 88 7.585 7.931 -7.878 1.00 0.00 C ATOM 1342 C ALA A 88 7.182 6.704 -7.070 1.00 0.00 C ATOM 1343 O ALA A 88 6.722 5.698 -7.623 1.00 0.00 O ATOM 1344 CB ALA A 88 6.705 9.137 -7.550 1.00 0.00 C ATOM 0 H ALA A 88 6.907 6.794 -9.479 1.00 0.00 H new ATOM 0 HA ALA A 88 8.607 8.209 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.784 9.367 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.034 9.997 -8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.668 8.908 -7.795 1.00 0.00 H new ATOM 1350 N THR A 89 7.371 6.768 -5.754 1.00 0.00 N ATOM 1351 CA THR A 89 7.075 5.674 -4.849 1.00 0.00 C ATOM 1352 C THR A 89 6.691 6.245 -3.485 1.00 0.00 C ATOM 1353 O THR A 89 7.161 7.321 -3.118 1.00 0.00 O ATOM 1354 CB THR A 89 8.302 4.748 -4.782 1.00 0.00 C ATOM 1355 OG1 THR A 89 8.516 4.167 -6.052 1.00 0.00 O ATOM 1356 CG2 THR A 89 8.159 3.621 -3.757 1.00 0.00 C ATOM 0 H THR A 89 7.740 7.596 -5.285 1.00 0.00 H new ATOM 0 HA THR A 89 6.230 5.082 -5.201 1.00 0.00 H new ATOM 0 HB THR A 89 9.143 5.369 -4.472 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.298 3.577 -6.014 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.060 3.007 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.017 4.048 -2.764 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.298 3.004 -4.013 1.00 0.00 H new ATOM 1364 N LYS A 90 5.826 5.532 -2.762 1.00 0.00 N ATOM 1365 CA LYS A 90 5.325 5.878 -1.442 1.00 0.00 C ATOM 1366 C LYS A 90 5.378 4.618 -0.582 1.00 0.00 C ATOM 1367 O LYS A 90 4.912 3.571 -1.021 1.00 0.00 O ATOM 1368 CB LYS A 90 3.880 6.381 -1.574 1.00 0.00 C ATOM 1369 CG LYS A 90 3.843 7.863 -1.966 1.00 0.00 C ATOM 1370 CD LYS A 90 4.008 8.755 -0.725 1.00 0.00 C ATOM 1371 CE LYS A 90 3.941 10.243 -1.084 1.00 0.00 C ATOM 1372 NZ LYS A 90 5.115 10.665 -1.867 1.00 0.00 N ATOM 0 H LYS A 90 5.439 4.653 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 90 5.925 6.664 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.354 5.790 -2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.355 6.239 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.637 8.075 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.899 8.090 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.228 8.520 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.963 8.539 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.033 10.440 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.879 10.836 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.321 11.666 -1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.936 10.085 -1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.918 10.543 -2.881 1.00 0.00 H new ATOM 1386 N VAL A 91 5.934 4.721 0.627 1.00 0.00 N ATOM 1387 CA VAL A 91 6.036 3.634 1.594 1.00 0.00 C ATOM 1388 C VAL A 91 5.137 4.032 2.763 1.00 0.00 C ATOM 1389 O VAL A 91 5.293 5.130 3.297 1.00 0.00 O ATOM 1390 CB VAL A 91 7.504 3.455 2.028 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.659 2.312 3.040 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.409 3.156 0.825 1.00 0.00 C ATOM 0 H VAL A 91 6.338 5.593 0.968 1.00 0.00 H new ATOM 0 HA VAL A 91 5.720 2.676 1.181 1.00 0.00 H new ATOM 0 HB VAL A 91 7.803 4.395 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.707 2.216 3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.062 2.528 3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.317 1.379 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.438 3.035 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.077 2.238 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.356 3.982 0.116 1.00 0.00 H new ATOM 1402 N GLY A 92 4.185 3.176 3.143 1.00 0.00 N ATOM 1403 CA GLY A 92 3.229 3.449 4.204 1.00 0.00 C ATOM 1404 C GLY A 92 1.900 3.937 3.625 1.00 0.00 C ATOM 1405 O GLY A 92 1.739 4.057 2.411 1.00 0.00 O ATOM 0 H GLY A 92 4.060 2.260 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.065 2.547 4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.634 4.202 4.880 1.00 0.00 H new ATOM 1409 N ALA A 93 0.934 4.202 4.508 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.390 4.668 4.121 1.00 0.00 C ATOM 1411 C ALA A 93 -0.361 6.146 3.716 1.00 0.00 C ATOM 1412 O ALA A 93 0.637 6.835 3.914 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.370 4.425 5.273 1.00 0.00 C ATOM 0 H ALA A 93 1.054 4.097 5.515 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.724 4.106 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.362 4.773 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.410 3.359 5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.036 4.970 6.156 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.476 6.633 3.166 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.661 8.008 2.724 1.00 0.00 C ATOM 1421 C LEU A 94 -3.095 8.426 3.017 1.00 0.00 C ATOM 1422 O LEU A 94 -3.995 7.586 3.018 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.484 8.088 1.201 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.054 8.404 0.758 1.00 0.00 C ATOM 1425 CD1 LEU A 94 0.141 7.895 -0.667 1.00 0.00 C ATOM 1426 CD2 LEU A 94 0.135 9.922 0.727 1.00 0.00 C ATOM 0 H LEU A 94 -2.302 6.055 3.013 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.939 8.645 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.789 7.139 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.153 8.853 0.807 1.00 0.00 H new ATOM 0 HG LEU A 94 0.652 7.937 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.157 8.114 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.025 6.818 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.569 8.389 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.152 10.156 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.573 10.362 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.040 10.331 1.722 1.00 0.00 H new ATOM 1438 N SER A 95 -3.311 9.731 3.177 1.00 0.00 N ATOM 1439 CA SER A 95 -4.635 10.305 3.270 1.00 0.00 C ATOM 1440 C SER A 95 -5.100 10.515 1.824 1.00 0.00 C ATOM 1441 O SER A 95 -4.281 10.744 0.931 1.00 0.00 O ATOM 1442 CB SER A 95 -4.550 11.615 4.056 1.00 0.00 C ATOM 1443 OG SER A 95 -3.449 12.378 3.598 1.00 0.00 O ATOM 0 H SER A 95 -2.560 10.418 3.245 1.00 0.00 H new ATOM 0 HA SER A 95 -5.347 9.669 3.796 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.473 12.183 3.936 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.441 11.405 5.120 1.00 0.00 H new ATOM 0 HG SER A 95 -2.663 12.181 4.149 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.410 10.416 1.579 1.00 0.00 N ATOM 1450 CA LYS A 96 -6.968 10.537 0.240 1.00 0.00 C ATOM 1451 C LYS A 96 -6.443 11.782 -0.483 1.00 0.00 C ATOM 1452 O LYS A 96 -6.007 11.695 -1.628 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.499 10.503 0.313 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.107 10.315 -1.082 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.624 10.118 -0.980 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.234 9.835 -2.356 1.00 0.00 C ATOM 1457 NZ LYS A 96 -10.781 8.542 -2.893 1.00 0.00 N ATOM 0 H LYS A 96 -7.107 10.250 2.305 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.640 9.686 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.818 9.691 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.867 11.430 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.887 11.184 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.654 9.452 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.842 9.291 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.082 11.009 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.321 9.837 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.961 10.633 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.102 8.443 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.742 8.498 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.178 7.770 -2.320 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.467 12.936 0.191 1.00 0.00 N ATOM 1472 CA GLY A 97 -5.984 14.188 -0.370 1.00 0.00 C ATOM 1473 C GLY A 97 -4.538 14.074 -0.859 1.00 0.00 C ATOM 1474 O GLY A 97 -4.240 14.389 -2.009 1.00 0.00 O ATOM 0 H GLY A 97 -6.824 13.022 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.625 14.485 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.052 14.973 0.383 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.632 13.609 0.009 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.230 13.450 -0.341 1.00 0.00 C ATOM 1480 C GLN A 98 -2.066 12.457 -1.486 1.00 0.00 C ATOM 1481 O GLN A 98 -1.281 12.700 -2.400 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.431 13.018 0.892 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.352 14.109 1.966 1.00 0.00 C ATOM 1484 CD GLN A 98 -0.593 15.340 1.475 1.00 0.00 C ATOM 1485 OE1 GLN A 98 0.618 15.432 1.632 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -1.300 16.294 0.874 1.00 0.00 N ATOM 0 H GLN A 98 -3.856 13.336 0.966 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.840 14.408 -0.684 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.888 12.126 1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.422 12.743 0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.360 14.399 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.860 13.710 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.308 16.186 0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.834 17.133 0.528 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.802 11.347 -1.455 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.732 10.376 -2.533 1.00 0.00 C ATOM 1497 C LEU A 99 -3.150 11.045 -3.848 1.00 0.00 C ATOM 1498 O LEU A 99 -2.405 10.992 -4.821 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.573 9.147 -2.170 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.610 8.052 -3.248 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.220 7.593 -3.708 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.338 6.846 -2.653 1.00 0.00 C ATOM 0 H LEU A 99 -3.445 11.104 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.712 10.020 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.183 8.717 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.594 9.470 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.112 8.467 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.326 6.820 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.676 8.441 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.669 7.192 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.383 6.047 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.801 6.495 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.350 7.135 -2.369 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.306 11.714 -3.886 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.749 12.412 -5.088 1.00 0.00 C ATOM 1516 C LYS A 100 -3.705 13.431 -5.552 1.00 0.00 C ATOM 1517 O LYS A 100 -3.399 13.496 -6.743 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.125 13.059 -4.876 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.201 11.970 -4.775 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.633 12.515 -4.702 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.049 13.228 -5.996 1.00 0.00 C ATOM 1522 NZ LYS A 100 -10.504 13.460 -6.033 1.00 0.00 N ATOM 0 H LYS A 100 -4.949 11.785 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.857 11.676 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.118 13.661 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.352 13.732 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.118 11.310 -5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.008 11.364 -3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.322 11.694 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.714 13.209 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.524 14.180 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.752 12.628 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.743 14.032 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.000 12.547 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.797 13.965 -5.172 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.142 14.207 -4.619 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.099 15.186 -4.905 1.00 0.00 C ATOM 1538 C GLU A 101 -0.918 14.495 -5.601 1.00 0.00 C ATOM 1539 O GLU A 101 -0.498 14.896 -6.684 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.682 15.866 -3.591 1.00 0.00 C ATOM 1541 CG GLU A 101 -0.726 17.046 -3.796 1.00 0.00 C ATOM 1542 CD GLU A 101 -0.178 17.555 -2.463 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.009 17.860 -1.578 1.00 0.00 O ATOM 1544 OE2 GLU A 101 1.064 17.621 -2.346 1.00 0.00 O ATOM 0 H GLU A 101 -3.404 14.169 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.468 15.956 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.574 16.216 -3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.205 15.129 -2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.100 16.740 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.247 17.854 -4.310 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.397 13.439 -4.970 1.00 0.00 N ATOM 1552 CA PHE A 102 0.708 12.631 -5.468 1.00 0.00 C ATOM 1553 C PHE A 102 0.414 12.140 -6.886 1.00 0.00 C ATOM 1554 O PHE A 102 1.220 12.312 -7.802 1.00 0.00 O ATOM 1555 CB PHE A 102 0.929 11.459 -4.500 1.00 0.00 C ATOM 1556 CG PHE A 102 1.935 10.418 -4.953 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.312 10.649 -4.794 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.487 9.185 -5.466 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.235 9.630 -5.088 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.413 8.174 -5.779 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.785 8.388 -5.571 1.00 0.00 C ATOM 0 H PHE A 102 -0.748 13.116 -4.068 1.00 0.00 H new ATOM 0 HA PHE A 102 1.618 13.228 -5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.255 11.860 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.028 10.965 -4.331 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.661 11.610 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.431 9.016 -5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.291 9.801 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.069 7.232 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.493 7.600 -5.781 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.754 11.523 -7.071 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.168 11.001 -8.360 1.00 0.00 C ATOM 1573 C LEU A 103 -1.208 12.112 -9.399 1.00 0.00 C ATOM 1574 O LEU A 103 -0.615 11.968 -10.464 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.520 10.295 -8.236 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.423 9.037 -7.366 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.826 8.488 -7.103 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.503 7.985 -7.988 1.00 0.00 C ATOM 0 H LEU A 103 -1.435 11.375 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.437 10.265 -8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.250 10.980 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.882 10.025 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.972 9.306 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.757 7.593 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.421 9.241 -6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.302 8.237 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.462 7.109 -7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.890 7.696 -8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.501 8.399 -8.102 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.874 13.227 -9.095 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.945 14.363 -10.004 1.00 0.00 C ATOM 1592 C ASP A 104 -0.537 14.815 -10.392 1.00 0.00 C ATOM 1593 O ASP A 104 -0.237 14.951 -11.576 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.740 15.503 -9.359 1.00 0.00 C ATOM 1595 CG ASP A 104 -2.798 16.709 -10.289 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.655 16.683 -11.198 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -1.979 17.631 -10.078 1.00 0.00 O ATOM 0 H ASP A 104 -2.375 13.364 -8.217 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.464 14.064 -10.915 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.750 15.165 -9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.277 15.787 -8.414 1.00 0.00 H new ATOM 1602 N ALA A 105 0.328 15.022 -9.396 1.00 0.00 N ATOM 1603 CA ALA A 105 1.708 15.436 -9.608 1.00 0.00 C ATOM 1604 C ALA A 105 2.455 14.471 -10.532 1.00 0.00 C ATOM 1605 O ALA A 105 3.255 14.905 -11.357 1.00 0.00 O ATOM 1606 CB ALA A 105 2.419 15.573 -8.259 1.00 0.00 C ATOM 0 H ALA A 105 0.083 14.905 -8.413 1.00 0.00 H new ATOM 0 HA ALA A 105 1.702 16.406 -10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.451 15.883 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.907 16.320 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.405 14.614 -7.741 1.00 0.00 H new ATOM 1612 N ASN A 106 2.196 13.163 -10.411 1.00 0.00 N ATOM 1613 CA ASN A 106 2.882 12.164 -11.225 1.00 0.00 C ATOM 1614 C ASN A 106 2.294 12.118 -12.631 1.00 0.00 C ATOM 1615 O ASN A 106 3.041 12.043 -13.605 1.00 0.00 O ATOM 1616 CB ASN A 106 2.762 10.775 -10.592 1.00 0.00 C ATOM 1617 CG ASN A 106 3.845 10.517 -9.556 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.855 9.895 -9.866 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.640 10.968 -8.323 1.00 0.00 N ATOM 0 H ASN A 106 1.516 12.777 -9.756 1.00 0.00 H new ATOM 0 HA ASN A 106 3.933 12.449 -11.280 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.783 10.675 -10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.821 10.016 -11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.336 10.800 -7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.787 11.482 -8.103 1.00 0.00 H new ATOM 1626 N LEU A 107 0.966 12.158 -12.759 1.00 0.00 N ATOM 1627 CA LEU A 107 0.299 12.141 -14.050 1.00 0.00 C ATOM 1628 C LEU A 107 0.728 13.374 -14.845 1.00 0.00 C ATOM 1629 O LEU A 107 1.111 13.265 -16.008 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.221 12.092 -13.838 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.705 10.736 -13.292 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.113 10.890 -12.708 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -1.734 9.659 -14.385 1.00 0.00 C ATOM 0 H LEU A 107 0.327 12.203 -11.965 1.00 0.00 H new ATOM 0 HA LEU A 107 0.581 11.256 -14.620 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.512 12.882 -13.146 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -1.722 12.297 -14.784 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.003 10.421 -12.520 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.454 9.929 -12.322 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.093 11.620 -11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -3.795 11.231 -13.487 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.081 8.718 -13.959 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.410 9.968 -15.182 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.731 9.526 -14.791 1.00 0.00 H new ATOM 1645 N ALA A 108 0.701 14.548 -14.206 1.00 0.00 N ATOM 1646 CA ALA A 108 1.132 15.794 -14.817 1.00 0.00 C ATOM 1647 C ALA A 108 2.607 15.694 -15.205 1.00 0.00 C ATOM 1648 O ALA A 108 3.125 16.560 -15.909 1.00 0.00 O ATOM 1649 CB ALA A 108 0.896 16.950 -13.839 1.00 0.00 C ATOM 0 H ALA A 108 0.376 14.653 -13.245 1.00 0.00 H new ATOM 0 HA ALA A 108 0.554 15.983 -15.721 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.219 17.885 -14.296 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.165 17.012 -13.598 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.466 16.777 -12.926 1.00 0.00 H new