USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 522 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.4!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.512 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= 0.112 (180deg=-0.757) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0134 USER MOD Single : A 35 ASN : amide:sc= -0.255 K(o=-0.26,f=-2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.73 K(o=-2.7,f=-9.7!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 52 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.031) USER MOD Single : A 53 SER OG : rot -8:sc= 0.156 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00984 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -9.65! C(o=-9.7!,f=-10!) USER MOD Single : A 61 GLN : amide:sc= -1.05 K(o=-1,f=-5.3!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0436 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -0.955 -12.706 0.485 1.00 0.00 N ATOM 20 CA ALA A 3 -1.426 -13.039 -0.849 1.00 0.00 C ATOM 21 C ALA A 3 -0.272 -12.899 -1.843 1.00 0.00 C ATOM 22 O ALA A 3 -0.277 -13.530 -2.899 1.00 0.00 O ATOM 23 CB ALA A 3 -2.617 -12.147 -1.207 1.00 0.00 C ATOM 0 HA ALA A 3 -1.770 -14.073 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.971 -12.396 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.420 -12.307 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.309 -11.102 -1.181 1.00 0.00 H new ATOM 29 N GLY A 4 0.690 -12.068 -1.470 1.00 0.00 N ATOM 30 CA GLY A 4 1.848 -11.837 -2.318 1.00 0.00 C ATOM 31 C GLY A 4 2.501 -10.490 -1.998 1.00 0.00 C ATOM 32 O GLY A 4 2.159 -9.851 -1.004 1.00 0.00 O ATOM 0 H GLY A 4 0.692 -11.547 -0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.572 -12.639 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.547 -11.860 -3.365 1.00 0.00 H new ATOM 36 N LYS A 5 3.427 -10.098 -2.860 1.00 0.00 N ATOM 37 CA LYS A 5 4.131 -8.839 -2.683 1.00 0.00 C ATOM 38 C LYS A 5 3.470 -7.765 -3.548 1.00 0.00 C ATOM 39 O LYS A 5 3.479 -7.859 -4.775 1.00 0.00 O ATOM 40 CB LYS A 5 5.625 -9.018 -2.957 1.00 0.00 C ATOM 41 CG LYS A 5 6.378 -9.382 -1.675 1.00 0.00 C ATOM 42 CD LYS A 5 7.862 -9.033 -1.793 1.00 0.00 C ATOM 43 CE LYS A 5 8.735 -10.141 -1.200 1.00 0.00 C ATOM 44 NZ LYS A 5 10.059 -10.167 -1.862 1.00 0.00 N ATOM 0 H LYS A 5 3.707 -10.630 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 5 4.059 -8.503 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.771 -9.799 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.034 -8.098 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.942 -8.850 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.266 -10.447 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.122 -8.882 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.060 -8.094 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.860 -9.980 -0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.242 -11.105 -1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.639 -10.924 -1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.935 -10.343 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.534 -9.252 -1.724 1.00 0.00 H new ATOM 58 N PHE A 6 2.911 -6.769 -2.877 1.00 0.00 N ATOM 59 CA PHE A 6 2.248 -5.678 -3.570 1.00 0.00 C ATOM 60 C PHE A 6 3.120 -4.420 -3.575 1.00 0.00 C ATOM 61 O PHE A 6 4.015 -4.278 -2.744 1.00 0.00 O ATOM 62 CB PHE A 6 0.954 -5.384 -2.807 1.00 0.00 C ATOM 63 CG PHE A 6 -0.090 -6.499 -2.901 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.199 -7.743 -2.433 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.307 -6.246 -3.453 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.768 -8.778 -2.520 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.276 -7.281 -3.540 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.986 -8.524 -3.071 1.00 0.00 C ATOM 0 H PHE A 6 2.904 -6.695 -1.860 1.00 0.00 H new ATOM 0 HA PHE A 6 2.055 -5.958 -4.606 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.194 -5.212 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.520 -4.460 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.166 -7.943 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.537 -5.258 -3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.538 -9.766 -2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.243 -7.081 -3.978 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.723 -9.311 -3.136 1.00 0.00 H new ATOM 78 N ILE A 7 2.826 -3.539 -4.519 1.00 0.00 N ATOM 79 CA ILE A 7 3.572 -2.298 -4.643 1.00 0.00 C ATOM 80 C ILE A 7 2.605 -1.158 -4.973 1.00 0.00 C ATOM 81 O ILE A 7 2.404 -0.829 -6.141 1.00 0.00 O ATOM 82 CB ILE A 7 4.708 -2.454 -5.656 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.720 -3.863 -6.252 1.00 0.00 C ATOM 84 CG2 ILE A 7 6.055 -2.083 -5.031 1.00 0.00 C ATOM 85 CD1 ILE A 7 5.904 -4.044 -7.205 1.00 0.00 C ATOM 0 H ILE A 7 2.081 -3.660 -5.206 1.00 0.00 H new ATOM 0 HA ILE A 7 4.052 -2.046 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 7 4.533 -1.759 -6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.777 -4.600 -5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.787 -4.044 -6.786 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.845 -2.203 -5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.027 -1.047 -4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.253 -2.735 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.890 -5.054 -7.615 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.831 -3.321 -8.018 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.836 -3.886 -6.662 1.00 0.00 H new ATOM 97 N VAL A 8 2.034 -0.587 -3.923 1.00 0.00 N ATOM 98 CA VAL A 8 1.095 0.509 -4.087 1.00 0.00 C ATOM 99 C VAL A 8 1.854 1.837 -4.053 1.00 0.00 C ATOM 100 O VAL A 8 2.990 1.893 -3.584 1.00 0.00 O ATOM 101 CB VAL A 8 -0.003 0.421 -3.023 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.148 -1.010 -2.503 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.266 1.398 -1.877 1.00 0.00 C ATOM 0 H VAL A 8 2.204 -0.863 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 8 0.598 0.444 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.947 0.704 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.934 -1.045 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.408 -1.673 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.794 -1.334 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.528 1.316 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.223 1.160 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.295 2.416 -2.266 1.00 0.00 H new ATOM 113 N ILE A 9 1.197 2.871 -4.556 1.00 0.00 N ATOM 114 CA ILE A 9 1.796 4.194 -4.589 1.00 0.00 C ATOM 115 C ILE A 9 0.734 5.240 -4.244 1.00 0.00 C ATOM 116 O ILE A 9 -0.457 5.014 -4.458 1.00 0.00 O ATOM 117 CB ILE A 9 2.484 4.437 -5.934 1.00 0.00 C ATOM 118 CG1 ILE A 9 3.997 4.577 -5.760 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.876 5.645 -6.651 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.708 3.256 -6.063 1.00 0.00 C ATOM 0 H ILE A 9 0.255 2.819 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 9 2.580 4.276 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 9 2.312 3.566 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.372 5.357 -6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.222 4.890 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.383 5.796 -7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.815 5.467 -6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.996 6.534 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.783 3.383 -5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.348 2.485 -5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.501 2.959 -7.091 1.00 0.00 H new ATOM 132 N PHE A 10 1.203 6.361 -3.716 1.00 0.00 N ATOM 133 CA PHE A 10 0.308 7.442 -3.339 1.00 0.00 C ATOM 134 C PHE A 10 0.539 8.675 -4.212 1.00 0.00 C ATOM 135 O PHE A 10 1.668 8.950 -4.620 1.00 0.00 O ATOM 136 CB PHE A 10 0.622 7.795 -1.883 1.00 0.00 C ATOM 137 CG PHE A 10 0.561 6.603 -0.926 1.00 0.00 C ATOM 138 CD1 PHE A 10 1.464 5.592 -1.042 1.00 0.00 C ATOM 139 CD2 PHE A 10 -0.395 6.555 0.040 1.00 0.00 C ATOM 140 CE1 PHE A 10 1.408 4.486 -0.153 1.00 0.00 C ATOM 141 CE2 PHE A 10 -0.451 5.449 0.928 1.00 0.00 C ATOM 142 CZ PHE A 10 0.452 4.437 0.813 1.00 0.00 C ATOM 0 H PHE A 10 2.191 6.544 -3.540 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.728 7.129 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.617 8.237 -1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.081 8.556 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.223 5.631 -1.810 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.111 7.358 0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.125 3.683 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.210 5.410 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.409 3.595 1.489 1.00 0.00 H new ATOM 152 N LYS A 11 -0.546 9.387 -4.476 1.00 0.00 N ATOM 153 CA LYS A 11 -0.476 10.586 -5.294 1.00 0.00 C ATOM 154 C LYS A 11 0.634 11.496 -4.764 1.00 0.00 C ATOM 155 O LYS A 11 1.301 11.161 -3.786 1.00 0.00 O ATOM 156 CB LYS A 11 -1.845 11.265 -5.369 1.00 0.00 C ATOM 157 CG LYS A 11 -2.377 11.583 -3.971 1.00 0.00 C ATOM 158 CD LYS A 11 -3.836 12.040 -4.030 1.00 0.00 C ATOM 159 CE LYS A 11 -3.968 13.349 -4.813 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.386 13.612 -5.146 1.00 0.00 N ATOM 0 H LYS A 11 -1.480 9.156 -4.137 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.216 10.331 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.768 12.184 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.549 10.616 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.294 10.700 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.766 12.362 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.444 11.267 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.220 12.176 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.567 14.174 -4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.378 13.294 -5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.458 14.503 -5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.757 12.832 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.941 13.685 -4.269 1.00 0.00 H new ATOM 174 N ASN A 12 0.796 12.629 -5.431 1.00 0.00 N ATOM 175 CA ASN A 12 1.813 13.589 -5.039 1.00 0.00 C ATOM 176 C ASN A 12 1.178 14.665 -4.156 1.00 0.00 C ATOM 177 O ASN A 12 1.561 15.833 -4.222 1.00 0.00 O ATOM 178 CB ASN A 12 2.421 14.279 -6.262 1.00 0.00 C ATOM 179 CG ASN A 12 3.942 14.376 -6.137 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.580 13.636 -5.406 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.487 15.329 -6.888 1.00 0.00 N ATOM 0 H ASN A 12 0.240 12.904 -6.241 1.00 0.00 H new ATOM 0 HA ASN A 12 2.595 13.052 -4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.161 13.724 -7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.997 15.277 -6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.496 15.475 -6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.895 15.914 -7.478 1.00 0.00 H new ATOM 188 N ASP A 13 0.218 14.235 -3.350 1.00 0.00 N ATOM 189 CA ASP A 13 -0.473 15.148 -2.456 1.00 0.00 C ATOM 190 C ASP A 13 -0.382 14.617 -1.024 1.00 0.00 C ATOM 191 O ASP A 13 -0.111 15.374 -0.093 1.00 0.00 O ATOM 192 CB ASP A 13 -1.953 15.264 -2.824 1.00 0.00 C ATOM 193 CG ASP A 13 -2.704 16.403 -2.132 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.037 17.151 -1.385 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.929 16.500 -2.365 1.00 0.00 O ATOM 0 H ASP A 13 -0.097 13.266 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.002 16.127 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.034 15.398 -3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.447 14.323 -2.582 1.00 0.00 H new ATOM 200 N VAL A 14 -0.616 13.320 -0.892 1.00 0.00 N ATOM 201 CA VAL A 14 -0.564 12.679 0.412 1.00 0.00 C ATOM 202 C VAL A 14 0.574 13.291 1.232 1.00 0.00 C ATOM 203 O VAL A 14 1.565 13.759 0.672 1.00 0.00 O ATOM 204 CB VAL A 14 -0.433 11.164 0.246 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.397 10.818 -0.992 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.162 10.523 1.501 1.00 0.00 C ATOM 0 H VAL A 14 -0.842 12.695 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.490 12.854 0.960 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.434 10.756 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.475 9.735 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.086 11.226 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.394 11.246 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.244 9.446 1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.151 10.940 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.485 10.726 2.355 1.00 0.00 H new ATOM 216 N SER A 15 0.394 13.268 2.544 1.00 0.00 N ATOM 217 CA SER A 15 1.393 13.815 3.446 1.00 0.00 C ATOM 218 C SER A 15 2.380 12.721 3.859 1.00 0.00 C ATOM 219 O SER A 15 2.090 11.533 3.720 1.00 0.00 O ATOM 220 CB SER A 15 0.740 14.434 4.683 1.00 0.00 C ATOM 221 OG SER A 15 0.702 13.524 5.779 1.00 0.00 O ATOM 0 H SER A 15 -0.429 12.879 3.004 1.00 0.00 H new ATOM 0 HA SER A 15 1.932 14.603 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.290 15.329 4.974 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.274 14.749 4.438 1.00 0.00 H new ATOM 0 HG SER A 15 0.279 13.957 6.550 1.00 0.00 H new ATOM 227 N GLU A 16 3.526 13.160 4.359 1.00 0.00 N ATOM 228 CA GLU A 16 4.557 12.232 4.793 1.00 0.00 C ATOM 229 C GLU A 16 4.045 11.374 5.951 1.00 0.00 C ATOM 230 O GLU A 16 4.131 10.147 5.904 1.00 0.00 O ATOM 231 CB GLU A 16 5.834 12.977 5.185 1.00 0.00 C ATOM 232 CG GLU A 16 7.021 12.016 5.285 1.00 0.00 C ATOM 233 CD GLU A 16 8.126 12.405 4.300 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.911 13.311 4.657 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.161 11.787 3.214 1.00 0.00 O ATOM 0 H GLU A 16 3.763 14.145 4.473 1.00 0.00 H new ATOM 0 HA GLU A 16 4.801 11.574 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.049 13.750 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.687 13.480 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.415 12.024 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.688 10.999 5.080 1.00 0.00 H new ATOM 242 N ASP A 17 3.524 12.051 6.963 1.00 0.00 N ATOM 243 CA ASP A 17 2.999 11.366 8.132 1.00 0.00 C ATOM 244 C ASP A 17 1.906 10.388 7.695 1.00 0.00 C ATOM 245 O ASP A 17 1.821 9.276 8.213 1.00 0.00 O ATOM 246 CB ASP A 17 2.379 12.357 9.119 1.00 0.00 C ATOM 247 CG ASP A 17 3.232 12.659 10.353 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.286 13.307 10.169 1.00 0.00 O ATOM 249 OD2 ASP A 17 2.811 12.235 11.450 1.00 0.00 O ATOM 0 H ASP A 17 3.454 13.068 6.998 1.00 0.00 H new ATOM 0 HA ASP A 17 3.824 10.844 8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.180 13.292 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.417 11.965 9.448 1.00 0.00 H new ATOM 254 N LYS A 18 1.098 10.838 6.747 1.00 0.00 N ATOM 255 CA LYS A 18 0.014 10.017 6.234 1.00 0.00 C ATOM 256 C LYS A 18 0.596 8.756 5.593 1.00 0.00 C ATOM 257 O LYS A 18 0.118 7.650 5.845 1.00 0.00 O ATOM 258 CB LYS A 18 -0.877 10.830 5.294 1.00 0.00 C ATOM 259 CG LYS A 18 -2.236 11.116 5.936 1.00 0.00 C ATOM 260 CD LYS A 18 -3.334 11.212 4.874 1.00 0.00 C ATOM 261 CE LYS A 18 -4.640 11.726 5.482 1.00 0.00 C ATOM 262 NZ LYS A 18 -5.401 10.613 6.094 1.00 0.00 N ATOM 0 H LYS A 18 1.172 11.761 6.320 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.635 9.692 7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.385 11.770 5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.019 10.285 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.480 10.326 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.187 12.048 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.014 11.879 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.498 10.232 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.424 12.484 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.243 12.206 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.285 10.980 6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.624 9.904 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.830 10.173 6.844 1.00 0.00 H new ATOM 276 N ILE A 19 1.618 8.963 4.776 1.00 0.00 N ATOM 277 CA ILE A 19 2.269 7.856 4.098 1.00 0.00 C ATOM 278 C ILE A 19 2.711 6.817 5.131 1.00 0.00 C ATOM 279 O ILE A 19 2.298 5.659 5.068 1.00 0.00 O ATOM 280 CB ILE A 19 3.408 8.366 3.213 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.110 8.114 1.734 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.748 7.758 3.639 1.00 0.00 C ATOM 283 CD1 ILE A 19 3.884 9.088 0.844 1.00 0.00 C ATOM 0 H ILE A 19 2.011 9.881 4.568 1.00 0.00 H new ATOM 0 HA ILE A 19 1.570 7.358 3.425 1.00 0.00 H new ATOM 0 HB ILE A 19 3.486 9.445 3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.377 7.089 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.041 8.221 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.541 8.137 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.959 8.031 4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.699 6.672 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.654 8.887 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.597 10.111 1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.954 8.962 1.011 1.00 0.00 H new ATOM 295 N ARG A 20 3.542 7.269 6.059 1.00 0.00 N ATOM 296 CA ARG A 20 4.043 6.392 7.104 1.00 0.00 C ATOM 297 C ARG A 20 2.878 5.765 7.874 1.00 0.00 C ATOM 298 O ARG A 20 2.981 4.635 8.347 1.00 0.00 O ATOM 299 CB ARG A 20 4.939 7.157 8.081 1.00 0.00 C ATOM 300 CG ARG A 20 6.270 7.531 7.426 1.00 0.00 C ATOM 301 CD ARG A 20 6.875 8.773 8.084 1.00 0.00 C ATOM 302 NE ARG A 20 8.245 8.479 8.557 1.00 0.00 N ATOM 303 CZ ARG A 20 9.063 9.388 9.106 1.00 0.00 C ATOM 304 NH1 ARG A 20 8.651 10.654 9.256 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.290 9.031 9.507 1.00 0.00 N ATOM 0 H ARG A 20 3.881 8.230 6.109 1.00 0.00 H new ATOM 0 HA ARG A 20 4.631 5.608 6.627 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.429 8.060 8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.123 6.547 8.965 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.966 6.696 7.507 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.117 7.716 6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.897 9.598 7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.253 9.091 8.921 1.00 0.00 H new ATOM 0 HE ARG A 20 8.589 7.524 8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.716 10.925 8.953 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.273 11.347 9.674 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.603 8.067 9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.912 9.723 9.925 1.00 0.00 H new ATOM 319 N GLU A 21 1.800 6.527 7.976 1.00 0.00 N ATOM 320 CA GLU A 21 0.618 6.060 8.681 1.00 0.00 C ATOM 321 C GLU A 21 -0.001 4.869 7.948 1.00 0.00 C ATOM 322 O GLU A 21 -0.010 3.753 8.464 1.00 0.00 O ATOM 323 CB GLU A 21 -0.400 7.189 8.851 1.00 0.00 C ATOM 324 CG GLU A 21 -0.028 8.090 10.031 1.00 0.00 C ATOM 325 CD GLU A 21 -1.165 8.152 11.054 1.00 0.00 C ATOM 326 OE1 GLU A 21 -1.350 7.137 11.759 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.822 9.214 11.107 1.00 0.00 O ATOM 0 H GLU A 21 1.720 7.465 7.583 1.00 0.00 H new ATOM 0 HA GLU A 21 0.918 5.733 9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.447 7.781 7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.393 6.768 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.876 7.714 10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.196 9.094 9.670 1.00 0.00 H new ATOM 334 N THR A 22 -0.505 5.147 6.754 1.00 0.00 N ATOM 335 CA THR A 22 -1.126 4.112 5.943 1.00 0.00 C ATOM 336 C THR A 22 -0.341 2.804 6.058 1.00 0.00 C ATOM 337 O THR A 22 -0.928 1.723 6.081 1.00 0.00 O ATOM 338 CB THR A 22 -1.230 4.635 4.509 1.00 0.00 C ATOM 339 OG1 THR A 22 -2.078 5.776 4.616 1.00 0.00 O ATOM 340 CG2 THR A 22 -2.003 3.682 3.595 1.00 0.00 C ATOM 0 H THR A 22 -0.496 6.074 6.329 1.00 0.00 H new ATOM 0 HA THR A 22 -2.132 3.883 6.294 1.00 0.00 H new ATOM 0 HB THR A 22 -0.230 4.794 4.107 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.198 6.179 3.731 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.048 4.099 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.498 2.717 3.565 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.015 3.550 3.979 1.00 0.00 H new ATOM 348 N LYS A 23 0.975 2.944 6.127 1.00 0.00 N ATOM 349 CA LYS A 23 1.846 1.786 6.238 1.00 0.00 C ATOM 350 C LYS A 23 1.614 1.106 7.588 1.00 0.00 C ATOM 351 O LYS A 23 1.285 -0.078 7.642 1.00 0.00 O ATOM 352 CB LYS A 23 3.303 2.187 5.995 1.00 0.00 C ATOM 353 CG LYS A 23 3.772 1.735 4.609 1.00 0.00 C ATOM 354 CD LYS A 23 3.225 2.658 3.518 1.00 0.00 C ATOM 355 CE LYS A 23 4.288 3.663 3.067 1.00 0.00 C ATOM 356 NZ LYS A 23 3.791 4.466 1.928 1.00 0.00 N ATOM 0 H LYS A 23 1.459 3.842 6.108 1.00 0.00 H new ATOM 0 HA LYS A 23 1.607 1.054 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.406 3.269 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.939 1.743 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.861 1.730 4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.442 0.713 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.896 2.064 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.351 3.191 3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.551 4.320 3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.197 3.135 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.589 4.731 1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.106 3.906 1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.328 5.326 2.285 1.00 0.00 H new ATOM 370 N ASP A 24 1.791 1.884 8.646 1.00 0.00 N ATOM 371 CA ASP A 24 1.603 1.371 9.992 1.00 0.00 C ATOM 372 C ASP A 24 0.196 0.784 10.118 1.00 0.00 C ATOM 373 O ASP A 24 0.005 -0.246 10.763 1.00 0.00 O ATOM 374 CB ASP A 24 1.746 2.485 11.031 1.00 0.00 C ATOM 375 CG ASP A 24 3.094 2.529 11.752 1.00 0.00 C ATOM 376 OD1 ASP A 24 4.115 2.327 11.059 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.074 2.764 12.980 1.00 0.00 O ATOM 0 H ASP A 24 2.063 2.866 8.598 1.00 0.00 H new ATOM 0 HA ASP A 24 2.363 0.610 10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.583 3.444 10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.957 2.371 11.774 1.00 0.00 H new ATOM 382 N GLU A 25 -0.753 1.464 9.492 1.00 0.00 N ATOM 383 CA GLU A 25 -2.136 1.022 9.526 1.00 0.00 C ATOM 384 C GLU A 25 -2.246 -0.421 9.026 1.00 0.00 C ATOM 385 O GLU A 25 -3.013 -1.212 9.570 1.00 0.00 O ATOM 386 CB GLU A 25 -3.031 1.955 8.707 1.00 0.00 C ATOM 387 CG GLU A 25 -3.428 3.187 9.522 1.00 0.00 C ATOM 388 CD GLU A 25 -4.766 2.968 10.230 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.965 1.840 10.730 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.560 3.934 10.255 1.00 0.00 O ATOM 0 H GLU A 25 -0.591 2.318 8.958 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.481 1.055 10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.508 2.266 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.926 1.420 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.654 3.405 10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.497 4.055 8.866 1.00 0.00 H new ATOM 397 N VAL A 26 -1.467 -0.717 7.997 1.00 0.00 N ATOM 398 CA VAL A 26 -1.467 -2.050 7.418 1.00 0.00 C ATOM 399 C VAL A 26 -0.640 -2.985 8.303 1.00 0.00 C ATOM 400 O VAL A 26 -1.029 -4.129 8.536 1.00 0.00 O ATOM 401 CB VAL A 26 -0.963 -1.993 5.974 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.464 -2.535 5.869 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.907 -2.746 5.034 1.00 0.00 C ATOM 0 H VAL A 26 -0.831 -0.057 7.549 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.480 -2.450 7.379 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.947 -0.948 5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.798 -2.483 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.127 -1.937 6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.485 -3.572 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.526 -2.690 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.970 -3.790 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.898 -2.295 5.076 1.00 0.00 H new ATOM 413 N ILE A 27 0.484 -2.465 8.772 1.00 0.00 N ATOM 414 CA ILE A 27 1.368 -3.239 9.625 1.00 0.00 C ATOM 415 C ILE A 27 0.572 -3.792 10.809 1.00 0.00 C ATOM 416 O ILE A 27 0.740 -4.950 11.188 1.00 0.00 O ATOM 417 CB ILE A 27 2.581 -2.403 10.039 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.319 -1.863 8.812 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.509 -3.200 10.959 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.476 -2.783 8.417 1.00 0.00 C ATOM 0 H ILE A 27 0.803 -1.516 8.577 1.00 0.00 H new ATOM 0 HA ILE A 27 1.769 -4.094 9.081 1.00 0.00 H new ATOM 0 HB ILE A 27 2.225 -1.543 10.606 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.624 -1.769 7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.700 -0.864 9.023 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.363 -2.582 11.238 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.966 -3.495 11.857 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.860 -4.091 10.438 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.983 -2.375 7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.182 -2.856 9.244 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.089 -3.774 8.182 1.00 0.00 H new ATOM 432 N ALA A 28 -0.279 -2.939 11.360 1.00 0.00 N ATOM 433 CA ALA A 28 -1.102 -3.328 12.492 1.00 0.00 C ATOM 434 C ALA A 28 -2.299 -4.138 11.992 1.00 0.00 C ATOM 435 O ALA A 28 -2.609 -5.197 12.538 1.00 0.00 O ATOM 436 CB ALA A 28 -1.527 -2.079 13.268 1.00 0.00 C ATOM 0 H ALA A 28 -0.416 -1.979 11.043 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.538 -3.961 13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.145 -2.371 14.117 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.641 -1.555 13.627 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.098 -1.421 12.613 1.00 0.00 H new ATOM 442 N GLU A 29 -2.941 -3.612 10.959 1.00 0.00 N ATOM 443 CA GLU A 29 -4.097 -4.274 10.380 1.00 0.00 C ATOM 444 C GLU A 29 -3.767 -5.733 10.057 1.00 0.00 C ATOM 445 O GLU A 29 -4.338 -6.648 10.647 1.00 0.00 O ATOM 446 CB GLU A 29 -4.585 -3.533 9.133 1.00 0.00 C ATOM 447 CG GLU A 29 -5.848 -4.186 8.568 1.00 0.00 C ATOM 448 CD GLU A 29 -5.706 -4.444 7.066 1.00 0.00 C ATOM 449 OE1 GLU A 29 -5.910 -3.477 6.301 1.00 0.00 O ATOM 450 OE2 GLU A 29 -5.396 -5.603 6.716 1.00 0.00 O ATOM 0 H GLU A 29 -2.682 -2.734 10.508 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.905 -4.258 11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.789 -2.491 9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.801 -3.533 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.039 -5.126 9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.708 -3.541 8.750 1.00 0.00 H new ATOM 457 N GLY A 30 -2.845 -5.904 9.120 1.00 0.00 N ATOM 458 CA GLY A 30 -2.432 -7.236 8.711 1.00 0.00 C ATOM 459 C GLY A 30 -1.209 -7.173 7.794 1.00 0.00 C ATOM 460 O GLY A 30 -0.144 -7.682 8.137 1.00 0.00 O ATOM 0 H GLY A 30 -2.373 -5.142 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.200 -7.835 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.253 -7.733 8.194 1.00 0.00 H new ATOM 464 N GLY A 31 -1.404 -6.543 6.644 1.00 0.00 N ATOM 465 CA GLY A 31 -0.330 -6.407 5.675 1.00 0.00 C ATOM 466 C GLY A 31 0.984 -6.031 6.361 1.00 0.00 C ATOM 467 O GLY A 31 0.993 -5.666 7.536 1.00 0.00 O ATOM 0 H GLY A 31 -2.289 -6.122 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.205 -7.344 5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.592 -5.645 4.941 1.00 0.00 H new ATOM 471 N THR A 32 2.063 -6.132 5.598 1.00 0.00 N ATOM 472 CA THR A 32 3.380 -5.805 6.119 1.00 0.00 C ATOM 473 C THR A 32 4.198 -5.053 5.067 1.00 0.00 C ATOM 474 O THR A 32 3.797 -4.969 3.907 1.00 0.00 O ATOM 475 CB THR A 32 4.039 -7.104 6.586 1.00 0.00 C ATOM 476 OG1 THR A 32 3.023 -8.089 6.418 1.00 0.00 O ATOM 477 CG2 THR A 32 4.319 -7.111 8.091 1.00 0.00 C ATOM 0 H THR A 32 2.052 -6.435 4.624 1.00 0.00 H new ATOM 0 HA THR A 32 3.311 -5.132 6.974 1.00 0.00 H new ATOM 0 HB THR A 32 4.972 -7.253 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.366 -8.964 6.696 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.787 -8.055 8.370 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.988 -6.287 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.382 -6.996 8.636 1.00 0.00 H new ATOM 485 N ILE A 33 5.330 -4.526 5.510 1.00 0.00 N ATOM 486 CA ILE A 33 6.208 -3.784 4.620 1.00 0.00 C ATOM 487 C ILE A 33 7.637 -4.310 4.766 1.00 0.00 C ATOM 488 O ILE A 33 8.174 -4.363 5.871 1.00 0.00 O ATOM 489 CB ILE A 33 6.078 -2.280 4.871 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.614 -1.882 5.068 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.745 -1.478 3.753 1.00 0.00 C ATOM 492 CD1 ILE A 33 3.858 -1.898 3.738 1.00 0.00 C ATOM 0 H ILE A 33 5.660 -4.598 6.473 1.00 0.00 H new ATOM 0 HA ILE A 33 5.916 -3.937 3.581 1.00 0.00 H new ATOM 0 HB ILE A 33 6.604 -2.041 5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.138 -2.568 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.560 -0.887 5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.638 -0.412 3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.803 -1.734 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.270 -1.716 2.801 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.820 -1.611 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.322 -1.194 3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.893 -2.901 3.312 1.00 0.00 H new ATOM 504 N THR A 34 8.213 -4.688 3.634 1.00 0.00 N ATOM 505 CA THR A 34 9.569 -5.208 3.621 1.00 0.00 C ATOM 506 C THR A 34 10.525 -4.190 2.997 1.00 0.00 C ATOM 507 O THR A 34 11.697 -4.125 3.366 1.00 0.00 O ATOM 508 CB THR A 34 9.552 -6.553 2.891 1.00 0.00 C ATOM 509 OG1 THR A 34 9.437 -6.200 1.515 1.00 0.00 O ATOM 510 CG2 THR A 34 8.284 -7.359 3.178 1.00 0.00 C ATOM 0 H THR A 34 7.765 -4.644 2.719 1.00 0.00 H new ATOM 0 HA THR A 34 9.938 -5.375 4.633 1.00 0.00 H new ATOM 0 HB THR A 34 10.425 -7.136 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.420 -7.014 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.323 -8.304 2.636 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.213 -7.557 4.248 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.411 -6.791 2.855 1.00 0.00 H new ATOM 518 N ASN A 35 9.989 -3.419 2.062 1.00 0.00 N ATOM 519 CA ASN A 35 10.781 -2.407 1.382 1.00 0.00 C ATOM 520 C ASN A 35 9.901 -1.189 1.091 1.00 0.00 C ATOM 521 O ASN A 35 8.679 -1.304 1.023 1.00 0.00 O ATOM 522 CB ASN A 35 11.320 -2.932 0.050 1.00 0.00 C ATOM 523 CG ASN A 35 12.850 -2.949 0.046 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.507 -2.248 0.799 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.379 -3.786 -0.843 1.00 0.00 N ATOM 0 H ASN A 35 9.017 -3.474 1.759 1.00 0.00 H new ATOM 0 HA ASN A 35 11.617 -2.142 2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.941 -3.938 -0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.958 -2.306 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.392 -3.870 -0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.771 -4.344 -1.443 1.00 0.00 H new ATOM 532 N GLU A 36 10.559 -0.051 0.926 1.00 0.00 N ATOM 533 CA GLU A 36 9.852 1.187 0.642 1.00 0.00 C ATOM 534 C GLU A 36 10.549 1.950 -0.485 1.00 0.00 C ATOM 535 O GLU A 36 11.652 1.590 -0.895 1.00 0.00 O ATOM 536 CB GLU A 36 9.736 2.051 1.900 1.00 0.00 C ATOM 537 CG GLU A 36 10.970 2.939 2.070 1.00 0.00 C ATOM 538 CD GLU A 36 12.213 2.099 2.375 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.270 1.559 3.501 1.00 0.00 O ATOM 540 OE2 GLU A 36 13.075 2.016 1.475 1.00 0.00 O ATOM 0 H GLU A 36 11.573 0.040 0.983 1.00 0.00 H new ATOM 0 HA GLU A 36 8.842 0.940 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.842 2.672 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.620 1.412 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.133 3.519 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.801 3.652 2.877 1.00 0.00 H new ATOM 547 N TYR A 37 9.877 2.989 -0.957 1.00 0.00 N ATOM 548 CA TYR A 37 10.417 3.807 -2.031 1.00 0.00 C ATOM 549 C TYR A 37 10.263 5.296 -1.716 1.00 0.00 C ATOM 550 O TYR A 37 9.276 5.918 -2.110 1.00 0.00 O ATOM 551 CB TYR A 37 9.592 3.470 -3.273 1.00 0.00 C ATOM 552 CG TYR A 37 9.767 2.034 -3.769 1.00 0.00 C ATOM 553 CD1 TYR A 37 11.005 1.600 -4.200 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.690 1.172 -3.785 1.00 0.00 C ATOM 555 CE1 TYR A 37 11.171 0.247 -4.666 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.856 -0.180 -4.251 1.00 0.00 C ATOM 557 CZ TYR A 37 10.089 -0.576 -4.668 1.00 0.00 C ATOM 558 OH TYR A 37 10.246 -1.853 -5.109 1.00 0.00 O ATOM 0 H TYR A 37 8.962 3.284 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 37 11.479 3.607 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.538 3.641 -3.053 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.866 4.156 -4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.848 2.275 -4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.722 1.512 -3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.133 -0.106 -5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.021 -0.864 -4.269 1.00 0.00 H new ATOM 0 HH TYR A 37 9.390 -2.326 -5.053 1.00 0.00 H new ATOM 568 N ASN A 38 11.251 5.825 -1.011 1.00 0.00 N ATOM 569 CA ASN A 38 11.237 7.229 -0.640 1.00 0.00 C ATOM 570 C ASN A 38 11.838 8.059 -1.777 1.00 0.00 C ATOM 571 O ASN A 38 12.821 8.772 -1.578 1.00 0.00 O ATOM 572 CB ASN A 38 12.074 7.476 0.617 1.00 0.00 C ATOM 573 CG ASN A 38 11.985 6.287 1.576 1.00 0.00 C ATOM 574 OD1 ASN A 38 10.960 5.639 1.710 1.00 0.00 O ATOM 575 ND2 ASN A 38 13.113 6.037 2.234 1.00 0.00 N ATOM 0 H ASN A 38 12.067 5.306 -0.687 1.00 0.00 H new ATOM 0 HA ASN A 38 10.203 7.516 -0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.114 7.646 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.726 8.379 1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 38 13.156 5.264 2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.936 6.619 2.075 1.00 0.00 H new ATOM 582 N MET A 39 11.223 7.938 -2.943 1.00 0.00 N ATOM 583 CA MET A 39 11.685 8.667 -4.113 1.00 0.00 C ATOM 584 C MET A 39 11.138 10.096 -4.118 1.00 0.00 C ATOM 585 O MET A 39 10.223 10.418 -3.361 1.00 0.00 O ATOM 586 CB MET A 39 11.229 7.941 -5.381 1.00 0.00 C ATOM 587 CG MET A 39 12.427 7.531 -6.238 1.00 0.00 C ATOM 588 SD MET A 39 12.497 5.753 -6.379 1.00 0.00 S ATOM 589 CE MET A 39 14.164 5.463 -5.810 1.00 0.00 C ATOM 0 H MET A 39 10.408 7.346 -3.104 1.00 0.00 H new ATOM 0 HA MET A 39 12.774 8.714 -4.083 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.651 7.057 -5.111 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.569 8.589 -5.958 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.347 7.980 -7.228 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.349 7.905 -5.792 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.376 4.394 -5.834 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.866 5.987 -6.459 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.269 5.831 -4.789 1.00 0.00 H new ATOM 599 N PRO A 40 11.738 10.938 -5.002 1.00 0.00 N ATOM 600 CA PRO A 40 11.323 12.325 -5.116 1.00 0.00 C ATOM 601 C PRO A 40 9.989 12.438 -5.859 1.00 0.00 C ATOM 602 O PRO A 40 9.017 12.965 -5.321 1.00 0.00 O ATOM 603 CB PRO A 40 12.465 13.021 -5.837 1.00 0.00 C ATOM 604 CG PRO A 40 13.267 11.918 -6.509 1.00 0.00 C ATOM 605 CD PRO A 40 12.825 10.591 -5.913 1.00 0.00 C ATOM 0 HA PRO A 40 11.140 12.790 -4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.087 13.732 -6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.084 13.583 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.100 11.927 -7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.334 12.071 -6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.488 9.902 -6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.643 10.102 -5.385 1.00 0.00 H new ATOM 613 N GLY A 41 9.988 11.936 -7.086 1.00 0.00 N ATOM 614 CA GLY A 41 8.791 11.975 -7.908 1.00 0.00 C ATOM 615 C GLY A 41 7.972 10.692 -7.746 1.00 0.00 C ATOM 616 O GLY A 41 6.962 10.507 -8.422 1.00 0.00 O ATOM 0 H GLY A 41 10.797 11.501 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.183 12.836 -7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.068 12.104 -8.954 1.00 0.00 H new ATOM 620 N MET A 42 8.441 9.839 -6.846 1.00 0.00 N ATOM 621 CA MET A 42 7.766 8.580 -6.587 1.00 0.00 C ATOM 622 C MET A 42 7.761 8.258 -5.091 1.00 0.00 C ATOM 623 O MET A 42 8.817 8.201 -4.462 1.00 0.00 O ATOM 624 CB MET A 42 8.469 7.455 -7.349 1.00 0.00 C ATOM 625 CG MET A 42 7.565 6.228 -7.477 1.00 0.00 C ATOM 626 SD MET A 42 7.212 5.905 -9.196 1.00 0.00 S ATOM 627 CE MET A 42 7.577 4.159 -9.265 1.00 0.00 C ATOM 0 H MET A 42 9.280 9.996 -6.288 1.00 0.00 H new ATOM 0 HA MET A 42 6.733 8.668 -6.925 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.754 7.806 -8.341 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.389 7.181 -6.832 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.049 5.361 -7.028 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.636 6.392 -6.931 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.408 3.792 -10.277 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.618 3.994 -8.988 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.928 3.624 -8.572 1.00 0.00 H new ATOM 637 N LYS A 43 6.562 8.055 -4.565 1.00 0.00 N ATOM 638 CA LYS A 43 6.407 7.741 -3.155 1.00 0.00 C ATOM 639 C LYS A 43 5.537 6.491 -3.009 1.00 0.00 C ATOM 640 O LYS A 43 4.312 6.587 -2.946 1.00 0.00 O ATOM 641 CB LYS A 43 5.874 8.954 -2.390 1.00 0.00 C ATOM 642 CG LYS A 43 6.888 10.100 -2.405 1.00 0.00 C ATOM 643 CD LYS A 43 6.953 10.791 -1.042 1.00 0.00 C ATOM 644 CE LYS A 43 8.389 11.196 -0.699 1.00 0.00 C ATOM 645 NZ LYS A 43 8.453 12.632 -0.349 1.00 0.00 N ATOM 0 H LYS A 43 5.689 8.102 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 43 7.374 7.512 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.937 9.287 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.654 8.671 -1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.873 9.715 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.612 10.824 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.314 11.674 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.567 10.122 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.753 10.596 0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.043 10.993 -1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.434 12.890 -0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.125 13.201 -1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.845 12.816 0.474 1.00 0.00 H new ATOM 659 N GLY A 44 6.203 5.347 -2.958 1.00 0.00 N ATOM 660 CA GLY A 44 5.506 4.080 -2.820 1.00 0.00 C ATOM 661 C GLY A 44 6.277 3.126 -1.905 1.00 0.00 C ATOM 662 O GLY A 44 7.259 3.520 -1.278 1.00 0.00 O ATOM 0 H GLY A 44 7.219 5.271 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.509 4.252 -2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.377 3.623 -3.801 1.00 0.00 H new ATOM 666 N PHE A 45 5.803 1.890 -1.857 1.00 0.00 N ATOM 667 CA PHE A 45 6.435 0.877 -1.030 1.00 0.00 C ATOM 668 C PHE A 45 6.059 -0.529 -1.501 1.00 0.00 C ATOM 669 O PHE A 45 5.086 -0.703 -2.233 1.00 0.00 O ATOM 670 CB PHE A 45 5.920 1.079 0.397 1.00 0.00 C ATOM 671 CG PHE A 45 4.490 0.582 0.618 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.266 -0.718 0.948 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.443 1.441 0.486 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.938 -1.179 1.154 1.00 0.00 C ATOM 675 CE2 PHE A 45 2.117 0.980 0.692 1.00 0.00 C ATOM 676 CZ PHE A 45 1.893 -0.321 1.021 1.00 0.00 C ATOM 0 H PHE A 45 4.988 1.567 -2.378 1.00 0.00 H new ATOM 0 HA PHE A 45 7.519 0.973 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.585 0.562 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.967 2.140 0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.097 -1.400 1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.621 2.474 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.759 -2.211 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.286 1.662 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.884 -0.672 1.177 1.00 0.00 H new ATOM 686 N ALA A 46 6.849 -1.497 -1.060 1.00 0.00 N ATOM 687 CA ALA A 46 6.610 -2.883 -1.427 1.00 0.00 C ATOM 688 C ALA A 46 6.647 -3.753 -0.169 1.00 0.00 C ATOM 689 O ALA A 46 7.547 -3.617 0.658 1.00 0.00 O ATOM 690 CB ALA A 46 7.643 -3.321 -2.468 1.00 0.00 C ATOM 0 H ALA A 46 7.655 -1.349 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 46 5.624 -2.996 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.464 -4.360 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.557 -2.691 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.645 -3.224 -2.050 1.00 0.00 H new ATOM 696 N GLY A 47 5.657 -4.627 -0.064 1.00 0.00 N ATOM 697 CA GLY A 47 5.564 -5.519 1.079 1.00 0.00 C ATOM 698 C GLY A 47 4.530 -6.620 0.834 1.00 0.00 C ATOM 699 O GLY A 47 4.168 -6.893 -0.309 1.00 0.00 O ATOM 0 H GLY A 47 4.912 -4.736 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.538 -5.967 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.291 -4.950 1.967 1.00 0.00 H new ATOM 703 N GLU A 48 4.084 -7.223 1.926 1.00 0.00 N ATOM 704 CA GLU A 48 3.100 -8.287 1.843 1.00 0.00 C ATOM 705 C GLU A 48 1.701 -7.741 2.138 1.00 0.00 C ATOM 706 O GLU A 48 1.406 -7.356 3.269 1.00 0.00 O ATOM 707 CB GLU A 48 3.451 -9.434 2.793 1.00 0.00 C ATOM 708 CG GLU A 48 3.794 -10.706 2.014 1.00 0.00 C ATOM 709 CD GLU A 48 4.441 -11.750 2.926 1.00 0.00 C ATOM 710 OE1 GLU A 48 3.746 -12.189 3.868 1.00 0.00 O ATOM 711 OE2 GLU A 48 5.616 -12.085 2.662 1.00 0.00 O ATOM 0 H GLU A 48 4.386 -6.994 2.873 1.00 0.00 H new ATOM 0 HA GLU A 48 3.108 -8.684 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.296 -9.147 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.612 -9.628 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.889 -11.119 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.471 -10.464 1.195 1.00 0.00 H new ATOM 718 N LEU A 49 0.876 -7.726 1.102 1.00 0.00 N ATOM 719 CA LEU A 49 -0.485 -7.233 1.235 1.00 0.00 C ATOM 720 C LEU A 49 -1.465 -8.384 0.997 1.00 0.00 C ATOM 721 O LEU A 49 -1.059 -9.542 0.910 1.00 0.00 O ATOM 722 CB LEU A 49 -0.712 -6.032 0.315 1.00 0.00 C ATOM 723 CG LEU A 49 -0.457 -4.655 0.935 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.917 -4.602 1.605 1.00 0.00 C ATOM 725 CD2 LEU A 49 -0.630 -3.546 -0.105 1.00 0.00 C ATOM 0 H LEU A 49 1.123 -8.047 0.166 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.661 -6.868 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.068 -6.141 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.741 -6.063 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.202 -4.487 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.073 -3.614 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.967 -5.354 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.691 -4.800 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.443 -2.578 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.077 -3.699 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.647 -3.570 -0.497 1.00 0.00 H new ATOM 737 N THR A 50 -2.736 -8.025 0.897 1.00 0.00 N ATOM 738 CA THR A 50 -3.778 -9.013 0.671 1.00 0.00 C ATOM 739 C THR A 50 -4.917 -8.408 -0.152 1.00 0.00 C ATOM 740 O THR A 50 -4.832 -7.261 -0.588 1.00 0.00 O ATOM 741 CB THR A 50 -4.227 -9.546 2.032 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.280 -9.004 2.948 1.00 0.00 O ATOM 743 CG2 THR A 50 -4.043 -11.060 2.159 1.00 0.00 C ATOM 0 H THR A 50 -3.069 -7.063 0.968 1.00 0.00 H new ATOM 0 HA THR A 50 -3.407 -9.853 0.084 1.00 0.00 H new ATOM 0 HB THR A 50 -5.275 -9.293 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.498 -9.299 3.857 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.377 -11.386 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.631 -11.564 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.990 -11.310 2.032 1.00 0.00 H new ATOM 751 N PRO A 51 -5.985 -9.227 -0.344 1.00 0.00 N ATOM 752 CA PRO A 51 -7.140 -8.785 -1.106 1.00 0.00 C ATOM 753 C PRO A 51 -7.992 -7.808 -0.293 1.00 0.00 C ATOM 754 O PRO A 51 -8.589 -6.888 -0.850 1.00 0.00 O ATOM 755 CB PRO A 51 -7.883 -10.059 -1.469 1.00 0.00 C ATOM 756 CG PRO A 51 -7.376 -11.125 -0.510 1.00 0.00 C ATOM 757 CD PRO A 51 -6.121 -10.591 0.158 1.00 0.00 C ATOM 0 HA PRO A 51 -6.864 -8.231 -2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.960 -9.925 -1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.691 -10.342 -2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.135 -11.360 0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.160 -12.049 -1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.214 -10.606 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.250 -11.195 -0.096 1.00 0.00 H new ATOM 765 N GLN A 52 -8.020 -8.041 1.011 1.00 0.00 N ATOM 766 CA GLN A 52 -8.790 -7.192 1.907 1.00 0.00 C ATOM 767 C GLN A 52 -8.174 -5.793 1.971 1.00 0.00 C ATOM 768 O GLN A 52 -8.865 -4.797 1.766 1.00 0.00 O ATOM 769 CB GLN A 52 -8.887 -7.813 3.301 1.00 0.00 C ATOM 770 CG GLN A 52 -9.741 -6.946 4.229 1.00 0.00 C ATOM 771 CD GLN A 52 -8.867 -6.194 5.233 1.00 0.00 C ATOM 772 OE1 GLN A 52 -8.840 -4.974 5.280 1.00 0.00 O ATOM 773 NE2 GLN A 52 -8.157 -6.984 6.032 1.00 0.00 N ATOM 0 H GLN A 52 -7.523 -8.805 1.469 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.803 -7.104 1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.320 -8.811 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.888 -7.928 3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.318 -6.234 3.639 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.457 -7.572 4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.226 -7.997 5.940 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.543 -6.577 6.737 1.00 0.00 H new ATOM 782 N SER A 53 -6.880 -5.764 2.256 1.00 0.00 N ATOM 783 CA SER A 53 -6.163 -4.504 2.351 1.00 0.00 C ATOM 784 C SER A 53 -6.371 -3.686 1.074 1.00 0.00 C ATOM 785 O SER A 53 -6.567 -2.473 1.134 1.00 0.00 O ATOM 786 CB SER A 53 -4.671 -4.735 2.596 1.00 0.00 C ATOM 787 OG SER A 53 -4.321 -4.559 3.965 1.00 0.00 O ATOM 0 H SER A 53 -6.310 -6.593 2.424 1.00 0.00 H new ATOM 0 HA SER A 53 -6.560 -3.948 3.200 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.404 -5.744 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.092 -4.045 1.982 1.00 0.00 H new ATOM 0 HG SER A 53 -5.087 -4.193 4.454 1.00 0.00 H new ATOM 793 N LEU A 54 -6.323 -4.384 -0.051 1.00 0.00 N ATOM 794 CA LEU A 54 -6.502 -3.738 -1.340 1.00 0.00 C ATOM 795 C LEU A 54 -7.782 -2.899 -1.311 1.00 0.00 C ATOM 796 O LEU A 54 -7.723 -1.674 -1.234 1.00 0.00 O ATOM 797 CB LEU A 54 -6.471 -4.772 -2.467 1.00 0.00 C ATOM 798 CG LEU A 54 -5.115 -4.988 -3.143 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.289 -5.359 -4.616 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.213 -3.766 -2.963 1.00 0.00 C ATOM 0 H LEU A 54 -6.163 -5.390 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.676 -3.056 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.811 -5.727 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.191 -4.472 -3.229 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.621 -5.829 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.310 -5.507 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.868 -6.279 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.813 -4.556 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.256 -3.945 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.690 -2.893 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.049 -3.588 -1.900 1.00 0.00 H new ATOM 812 N THR A 55 -8.908 -3.594 -1.376 1.00 0.00 N ATOM 813 CA THR A 55 -10.200 -2.929 -1.357 1.00 0.00 C ATOM 814 C THR A 55 -10.171 -1.733 -0.403 1.00 0.00 C ATOM 815 O THR A 55 -10.888 -0.755 -0.606 1.00 0.00 O ATOM 816 CB THR A 55 -11.262 -3.969 -0.996 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.148 -4.952 -2.021 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.685 -3.430 -1.153 1.00 0.00 C ATOM 0 H THR A 55 -8.953 -4.611 -1.442 1.00 0.00 H new ATOM 0 HA THR A 55 -10.447 -2.518 -2.336 1.00 0.00 H new ATOM 0 HB THR A 55 -11.111 -4.301 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.801 -5.666 -1.864 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.400 -4.207 -0.884 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.822 -2.569 -0.499 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.848 -3.129 -2.188 1.00 0.00 H new ATOM 826 N LYS A 56 -9.334 -1.852 0.617 1.00 0.00 N ATOM 827 CA LYS A 56 -9.201 -0.792 1.603 1.00 0.00 C ATOM 828 C LYS A 56 -8.810 0.508 0.899 1.00 0.00 C ATOM 829 O LYS A 56 -9.622 1.424 0.782 1.00 0.00 O ATOM 830 CB LYS A 56 -8.230 -1.208 2.709 1.00 0.00 C ATOM 831 CG LYS A 56 -8.676 -0.659 4.066 1.00 0.00 C ATOM 832 CD LYS A 56 -7.559 0.156 4.721 1.00 0.00 C ATOM 833 CE LYS A 56 -6.277 -0.670 4.845 1.00 0.00 C ATOM 834 NZ LYS A 56 -5.608 -0.398 6.136 1.00 0.00 N ATOM 0 H LYS A 56 -8.741 -2.666 0.782 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.155 -0.612 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.170 -2.295 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.230 -0.843 2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.560 -0.034 3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.961 -1.483 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.363 1.051 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.878 0.489 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.512 -1.731 4.767 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.603 -0.432 4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.740 -0.967 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.366 0.612 6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.247 -0.648 6.918 1.00 0.00 H new ATOM 848 N PHE A 57 -7.565 0.548 0.448 1.00 0.00 N ATOM 849 CA PHE A 57 -7.055 1.721 -0.242 1.00 0.00 C ATOM 850 C PHE A 57 -7.250 1.596 -1.755 1.00 0.00 C ATOM 851 O PHE A 57 -6.706 2.389 -2.522 1.00 0.00 O ATOM 852 CB PHE A 57 -5.558 1.806 0.063 1.00 0.00 C ATOM 853 CG PHE A 57 -4.823 0.469 -0.058 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.426 0.020 -1.279 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.568 -0.270 1.054 1.00 0.00 C ATOM 856 CE1 PHE A 57 -3.744 -1.221 -1.392 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.885 -1.510 0.941 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.487 -1.960 -0.279 1.00 0.00 C ATOM 0 H PHE A 57 -6.894 -0.214 0.547 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.589 2.610 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.099 2.524 -0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.425 2.193 1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.629 0.607 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.885 0.086 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.429 -1.578 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.681 -2.096 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.967 -2.903 -0.364 1.00 0.00 H new ATOM 868 N GLN A 58 -8.027 0.594 -2.138 1.00 0.00 N ATOM 869 CA GLN A 58 -8.301 0.354 -3.544 1.00 0.00 C ATOM 870 C GLN A 58 -9.555 1.116 -3.979 1.00 0.00 C ATOM 871 O GLN A 58 -9.556 1.774 -5.019 1.00 0.00 O ATOM 872 CB GLN A 58 -8.442 -1.142 -3.829 1.00 0.00 C ATOM 873 CG GLN A 58 -7.085 -1.770 -4.152 1.00 0.00 C ATOM 874 CD GLN A 58 -7.239 -2.937 -5.129 1.00 0.00 C ATOM 875 OE1 GLN A 58 -6.384 -3.206 -5.956 1.00 0.00 O ATOM 876 NE2 GLN A 58 -8.375 -3.615 -4.987 1.00 0.00 N ATOM 0 H GLN A 58 -8.476 -0.062 -1.498 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.456 0.722 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.881 -1.641 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.125 -1.294 -4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.425 -1.017 -4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.614 -2.120 -3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.049 -3.337 -4.274 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.572 -4.413 -5.591 1.00 0.00 H new ATOM 885 N GLY A 59 -10.590 1.002 -3.162 1.00 0.00 N ATOM 886 CA GLY A 59 -11.848 1.672 -3.448 1.00 0.00 C ATOM 887 C GLY A 59 -11.676 3.191 -3.428 1.00 0.00 C ATOM 888 O GLY A 59 -12.086 3.879 -4.363 1.00 0.00 O ATOM 0 H GLY A 59 -10.584 0.455 -2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.218 1.357 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.597 1.377 -2.713 1.00 0.00 H new ATOM 892 N LEU A 60 -11.071 3.673 -2.352 1.00 0.00 N ATOM 893 CA LEU A 60 -10.840 5.099 -2.197 1.00 0.00 C ATOM 894 C LEU A 60 -9.708 5.532 -3.132 1.00 0.00 C ATOM 895 O LEU A 60 -9.416 6.721 -3.249 1.00 0.00 O ATOM 896 CB LEU A 60 -10.591 5.445 -0.728 1.00 0.00 C ATOM 897 CG LEU A 60 -9.125 5.569 -0.308 1.00 0.00 C ATOM 898 CD1 LEU A 60 -8.724 7.037 -0.147 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.847 4.757 0.958 1.00 0.00 C ATOM 0 H LEU A 60 -10.733 3.100 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.727 5.663 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.093 6.387 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.062 4.680 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.505 5.151 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.678 7.098 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.861 7.558 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.347 7.503 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.798 4.862 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.475 5.123 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.069 3.706 0.772 1.00 0.00 H new ATOM 911 N GLN A 61 -9.103 4.544 -3.774 1.00 0.00 N ATOM 912 CA GLN A 61 -8.010 4.808 -4.694 1.00 0.00 C ATOM 913 C GLN A 61 -8.294 6.074 -5.506 1.00 0.00 C ATOM 914 O GLN A 61 -9.451 6.428 -5.726 1.00 0.00 O ATOM 915 CB GLN A 61 -7.766 3.610 -5.614 1.00 0.00 C ATOM 916 CG GLN A 61 -6.590 3.874 -6.557 1.00 0.00 C ATOM 917 CD GLN A 61 -5.891 2.567 -6.939 1.00 0.00 C ATOM 918 OE1 GLN A 61 -5.543 1.751 -6.102 1.00 0.00 O ATOM 919 NE2 GLN A 61 -5.705 2.416 -8.247 1.00 0.00 N ATOM 0 H GLN A 61 -9.349 3.559 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.102 4.968 -4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.564 2.722 -5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.665 3.405 -6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.946 4.377 -7.456 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.878 4.545 -6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.021 3.139 -8.894 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.246 1.578 -8.603 1.00 0.00 H new ATOM 928 N GLY A 62 -7.217 6.722 -5.927 1.00 0.00 N ATOM 929 CA GLY A 62 -7.336 7.940 -6.710 1.00 0.00 C ATOM 930 C GLY A 62 -7.139 9.177 -5.831 1.00 0.00 C ATOM 931 O GLY A 62 -6.604 10.187 -6.285 1.00 0.00 O ATOM 0 H GLY A 62 -6.259 6.426 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.596 7.936 -7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.317 7.978 -7.183 1.00 0.00 H new ATOM 935 N ASP A 63 -7.584 9.057 -4.588 1.00 0.00 N ATOM 936 CA ASP A 63 -7.463 10.153 -3.641 1.00 0.00 C ATOM 937 C ASP A 63 -6.489 9.756 -2.530 1.00 0.00 C ATOM 938 O ASP A 63 -6.437 10.404 -1.485 1.00 0.00 O ATOM 939 CB ASP A 63 -8.812 10.474 -2.995 1.00 0.00 C ATOM 940 CG ASP A 63 -9.021 11.945 -2.633 1.00 0.00 C ATOM 941 OD1 ASP A 63 -8.074 12.530 -2.063 1.00 0.00 O ATOM 942 OD2 ASP A 63 -10.124 12.453 -2.932 1.00 0.00 O ATOM 0 H ASP A 63 -8.029 8.218 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.105 11.029 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.606 10.166 -3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.917 9.874 -2.091 1.00 0.00 H new ATOM 947 N LEU A 64 -5.742 8.695 -2.793 1.00 0.00 N ATOM 948 CA LEU A 64 -4.773 8.203 -1.828 1.00 0.00 C ATOM 949 C LEU A 64 -3.737 7.337 -2.547 1.00 0.00 C ATOM 950 O LEU A 64 -2.539 7.463 -2.301 1.00 0.00 O ATOM 951 CB LEU A 64 -5.480 7.487 -0.675 1.00 0.00 C ATOM 952 CG LEU A 64 -4.638 6.473 0.101 1.00 0.00 C ATOM 953 CD1 LEU A 64 -3.612 7.178 0.989 1.00 0.00 C ATOM 954 CD2 LEU A 64 -5.529 5.519 0.900 1.00 0.00 C ATOM 0 H LEU A 64 -5.788 8.161 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.234 9.034 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.844 8.239 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.355 6.974 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.082 5.870 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.027 6.434 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.949 7.782 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.128 7.821 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.906 4.808 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.130 6.090 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.187 4.979 0.219 1.00 0.00 H new ATOM 966 N ILE A 65 -4.238 6.475 -3.421 1.00 0.00 N ATOM 967 CA ILE A 65 -3.371 5.587 -4.178 1.00 0.00 C ATOM 968 C ILE A 65 -3.287 6.076 -5.625 1.00 0.00 C ATOM 969 O ILE A 65 -4.310 6.241 -6.289 1.00 0.00 O ATOM 970 CB ILE A 65 -3.840 4.138 -4.044 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.879 3.708 -2.576 1.00 0.00 C ATOM 972 CG2 ILE A 65 -2.979 3.202 -4.894 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.466 3.467 -2.038 1.00 0.00 C ATOM 0 H ILE A 65 -5.233 6.373 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.358 5.608 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.859 4.072 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.372 4.477 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.471 2.798 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.334 2.178 -4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.047 3.496 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.941 3.265 -4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.522 3.163 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.984 2.681 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.885 4.386 -2.118 1.00 0.00 H new ATOM 985 N ASP A 66 -2.059 6.294 -6.072 1.00 0.00 N ATOM 986 CA ASP A 66 -1.829 6.760 -7.429 1.00 0.00 C ATOM 987 C ASP A 66 -1.755 5.557 -8.371 1.00 0.00 C ATOM 988 O ASP A 66 -2.218 5.627 -9.510 1.00 0.00 O ATOM 989 CB ASP A 66 -0.505 7.522 -7.532 1.00 0.00 C ATOM 990 CG ASP A 66 -0.601 8.896 -8.198 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.673 9.522 -8.055 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.401 9.289 -8.834 1.00 0.00 O ATOM 0 H ASP A 66 -1.213 6.157 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.650 7.423 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.097 7.648 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.205 6.913 -8.091 1.00 0.00 H new ATOM 997 N SER A 67 -1.173 4.482 -7.863 1.00 0.00 N ATOM 998 CA SER A 67 -1.033 3.265 -8.645 1.00 0.00 C ATOM 999 C SER A 67 -0.964 2.051 -7.717 1.00 0.00 C ATOM 1000 O SER A 67 -0.245 2.068 -6.719 1.00 0.00 O ATOM 1001 CB SER A 67 0.209 3.322 -9.537 1.00 0.00 C ATOM 1002 OG SER A 67 0.179 4.439 -10.422 1.00 0.00 O ATOM 0 H SER A 67 -0.792 4.428 -6.918 1.00 0.00 H new ATOM 0 HA SER A 67 -1.906 3.172 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.101 3.377 -8.913 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.282 2.402 -10.117 1.00 0.00 H new ATOM 0 HG SER A 67 0.989 4.441 -10.973 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.723 1.026 -8.078 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.757 -0.194 -7.289 1.00 0.00 C ATOM 1010 C ILE A 68 -1.206 -1.351 -8.124 1.00 0.00 C ATOM 1011 O ILE A 68 -1.789 -1.719 -9.142 1.00 0.00 O ATOM 1012 CB ILE A 68 -3.166 -0.444 -6.748 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -3.115 -1.034 -5.337 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.976 -1.318 -7.707 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.667 -0.045 -4.308 1.00 0.00 C ATOM 0 H ILE A 68 -2.319 1.015 -8.906 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.116 -0.098 -6.412 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.679 0.515 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.692 -1.958 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.087 -1.292 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.973 -1.480 -7.298 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.057 -0.820 -8.673 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.476 -2.278 -7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.619 -0.490 -3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.073 0.868 -4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.703 0.192 -4.550 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.088 -1.893 -7.663 1.00 0.00 N ATOM 1028 CA GLU A 69 0.548 -3.001 -8.354 1.00 0.00 C ATOM 1029 C GLU A 69 0.427 -4.283 -7.528 1.00 0.00 C ATOM 1030 O GLU A 69 1.432 -4.842 -7.092 1.00 0.00 O ATOM 1031 CB GLU A 69 2.012 -2.686 -8.663 1.00 0.00 C ATOM 1032 CG GLU A 69 2.569 -3.642 -9.720 1.00 0.00 C ATOM 1033 CD GLU A 69 3.790 -3.039 -10.419 1.00 0.00 C ATOM 1034 OE1 GLU A 69 3.831 -1.794 -10.514 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.653 -3.837 -10.841 1.00 0.00 O ATOM 0 H GLU A 69 0.394 -1.585 -6.818 1.00 0.00 H new ATOM 0 HA GLU A 69 0.034 -3.154 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.100 -1.658 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.604 -2.762 -7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.844 -4.587 -9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.797 -3.864 -10.457 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.814 -4.710 -7.337 1.00 0.00 N ATOM 1043 CA GLU A 70 -1.079 -5.916 -6.570 1.00 0.00 C ATOM 1044 C GLU A 70 -0.520 -7.141 -7.297 1.00 0.00 C ATOM 1045 O GLU A 70 -0.730 -7.304 -8.498 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.577 -6.075 -6.302 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.391 -5.834 -7.574 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.332 -7.009 -7.854 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -3.956 -8.139 -7.475 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -5.405 -6.750 -8.440 1.00 0.00 O ATOM 0 H GLU A 70 -1.645 -4.243 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.577 -5.829 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.778 -7.077 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.888 -5.373 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.970 -4.916 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.718 -5.693 -8.420 1.00 0.00 H new ATOM 1057 N ASP A 71 0.181 -7.970 -6.538 1.00 0.00 N ATOM 1058 CA ASP A 71 0.772 -9.175 -7.094 1.00 0.00 C ATOM 1059 C ASP A 71 0.444 -10.364 -6.189 1.00 0.00 C ATOM 1060 O ASP A 71 1.201 -11.331 -6.130 1.00 0.00 O ATOM 1061 CB ASP A 71 2.295 -9.052 -7.180 1.00 0.00 C ATOM 1062 CG ASP A 71 2.953 -9.911 -8.262 1.00 0.00 C ATOM 1063 OD1 ASP A 71 2.481 -9.828 -9.417 1.00 0.00 O ATOM 1064 OD2 ASP A 71 3.913 -10.630 -7.911 1.00 0.00 O ATOM 0 H ASP A 71 0.353 -7.831 -5.542 1.00 0.00 H new ATOM 0 HA ASP A 71 0.364 -9.320 -8.095 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.551 -8.008 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.721 -9.322 -6.214 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.686 -10.252 -5.506 1.00 0.00 N ATOM 1070 CA GLY A 72 -1.124 -11.306 -4.607 1.00 0.00 C ATOM 1071 C GLY A 72 -1.456 -12.584 -5.380 1.00 0.00 C ATOM 1072 O GLY A 72 -0.590 -13.158 -6.039 1.00 0.00 O ATOM 0 H GLY A 72 -1.311 -9.448 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.343 -11.512 -3.875 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.002 -10.974 -4.052 1.00 0.00 H new