USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 534 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 14 CYS SG : rot 81:sc= 0.00982 USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -7.77! C(o=-7.8!,f=-15!) USER MOD Single : A 5 SER OG : rot -134:sc= 0.00759 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 142:sc= -8.2! (180deg=-13.4!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.157 USER MOD Single : A 12 ASN : amide:sc= -4.05! C(o=-4!,f=-2.8!) USER MOD Single : A 13 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2.9!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.367 K(o=-0.37,f=-3.2!) USER MOD Single : A 36 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.316) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 9:sc= -2.77 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.9!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -6.833 -4.141 -4.230 1.00 0.00 N ATOM 12 CA GLN A 2 -7.604 -3.171 -3.472 1.00 0.00 C ATOM 13 C GLN A 2 -6.754 -1.934 -3.173 1.00 0.00 C ATOM 14 O GLN A 2 -5.556 -2.047 -2.920 1.00 0.00 O ATOM 15 CB GLN A 2 -8.145 -3.789 -2.181 1.00 0.00 C ATOM 16 CG GLN A 2 -9.675 -3.831 -2.192 1.00 0.00 C ATOM 17 CD GLN A 2 -10.264 -2.469 -1.822 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.598 -2.198 -0.680 1.00 0.00 O ATOM 19 NE2 GLN A 2 -10.371 -1.629 -2.847 1.00 0.00 N ATOM 0 HA GLN A 2 -8.458 -2.864 -4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.751 -4.798 -2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.800 -3.211 -1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.027 -4.127 -3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.027 -4.586 -1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.072 -1.920 -3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.752 -0.694 -2.702 1.00 0.00 H new ATOM 28 N GLU A 3 -7.408 -0.783 -3.213 1.00 0.00 N ATOM 29 CA GLU A 3 -6.727 0.474 -2.949 1.00 0.00 C ATOM 30 C GLU A 3 -6.929 0.891 -1.491 1.00 0.00 C ATOM 31 O GLU A 3 -7.697 0.265 -0.763 1.00 0.00 O ATOM 32 CB GLU A 3 -7.208 1.568 -3.905 1.00 0.00 C ATOM 33 CG GLU A 3 -8.729 1.719 -3.845 1.00 0.00 C ATOM 34 CD GLU A 3 -9.387 1.147 -5.102 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.077 -0.021 -5.423 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.184 1.890 -5.714 1.00 0.00 O ATOM 0 H GLU A 3 -8.402 -0.694 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.660 0.331 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.735 2.515 -3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.903 1.326 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.114 1.207 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.990 2.772 -3.741 1.00 0.00 H new ATOM 43 N PHE A 4 -6.226 1.947 -1.109 1.00 0.00 N ATOM 44 CA PHE A 4 -6.318 2.456 0.249 1.00 0.00 C ATOM 45 C PHE A 4 -6.171 3.979 0.275 1.00 0.00 C ATOM 46 O PHE A 4 -5.236 4.525 -0.309 1.00 0.00 O ATOM 47 CB PHE A 4 -5.168 1.830 1.040 1.00 0.00 C ATOM 48 CG PHE A 4 -4.728 0.460 0.520 1.00 0.00 C ATOM 49 CD1 PHE A 4 -4.092 0.360 -0.678 1.00 0.00 C ATOM 50 CD2 PHE A 4 -4.972 -0.657 1.256 1.00 0.00 C ATOM 51 CE1 PHE A 4 -3.684 -0.911 -1.161 1.00 0.00 C ATOM 52 CE2 PHE A 4 -4.563 -1.928 0.773 1.00 0.00 C ATOM 53 CZ PHE A 4 -3.928 -2.029 -0.425 1.00 0.00 C ATOM 0 H PHE A 4 -5.590 2.464 -1.716 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.289 2.205 0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.314 2.507 1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.469 1.732 2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.897 1.248 -1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.477 -0.577 2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.180 -0.991 -2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.756 -2.815 1.358 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.617 -2.996 -0.792 1.00 0.00 H new ATOM 63 N SER A 5 -7.107 4.620 0.959 1.00 0.00 N ATOM 64 CA SER A 5 -7.093 6.069 1.069 1.00 0.00 C ATOM 65 C SER A 5 -6.170 6.498 2.212 1.00 0.00 C ATOM 66 O SER A 5 -6.215 5.925 3.299 1.00 0.00 O ATOM 67 CB SER A 5 -8.503 6.619 1.291 1.00 0.00 C ATOM 68 OG SER A 5 -8.486 7.880 1.954 1.00 0.00 O ATOM 0 H SER A 5 -7.880 4.163 1.443 1.00 0.00 H new ATOM 0 HA SER A 5 -6.716 6.479 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.008 6.721 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.081 5.907 1.880 1.00 0.00 H new ATOM 0 HG SER A 5 -9.149 7.879 2.676 1.00 0.00 H new ATOM 74 N VAL A 6 -5.354 7.502 1.926 1.00 0.00 N ATOM 75 CA VAL A 6 -4.422 8.014 2.916 1.00 0.00 C ATOM 76 C VAL A 6 -4.869 9.409 3.357 1.00 0.00 C ATOM 77 O VAL A 6 -5.012 10.309 2.532 1.00 0.00 O ATOM 78 CB VAL A 6 -2.998 7.992 2.355 1.00 0.00 C ATOM 79 CG1 VAL A 6 -1.977 8.344 3.439 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.680 6.637 1.720 1.00 0.00 C ATOM 0 H VAL A 6 -5.319 7.975 1.023 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.418 7.379 3.802 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.933 8.750 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.973 8.321 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.185 9.342 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.044 7.620 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.663 6.648 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.772 5.853 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.379 6.443 0.906 1.00 0.00 H new ATOM 90 N LYS A 7 -5.078 9.544 4.659 1.00 0.00 N ATOM 91 CA LYS A 7 -5.506 10.814 5.220 1.00 0.00 C ATOM 92 C LYS A 7 -4.483 11.279 6.258 1.00 0.00 C ATOM 93 O LYS A 7 -4.851 11.703 7.352 1.00 0.00 O ATOM 94 CB LYS A 7 -6.931 10.705 5.767 1.00 0.00 C ATOM 95 CG LYS A 7 -7.931 10.428 4.643 1.00 0.00 C ATOM 96 CD LYS A 7 -8.793 11.660 4.360 1.00 0.00 C ATOM 97 CE LYS A 7 -9.741 11.407 3.186 1.00 0.00 C ATOM 98 NZ LYS A 7 -11.145 11.632 3.597 1.00 0.00 N ATOM 0 H LYS A 7 -4.959 8.795 5.341 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.544 11.579 4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.980 9.906 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.200 11.630 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.396 10.139 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.569 9.588 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.369 11.917 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.152 12.513 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.488 12.068 2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.620 10.385 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.776 11.456 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.388 10.984 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.260 12.615 3.918 1.00 0.00 H new ATOM 112 N GLY A 8 -3.217 11.184 5.878 1.00 0.00 N ATOM 113 CA GLY A 8 -2.138 11.589 6.762 1.00 0.00 C ATOM 114 C GLY A 8 -0.832 11.771 5.985 1.00 0.00 C ATOM 115 O GLY A 8 0.253 11.657 6.553 1.00 0.00 O ATOM 0 H GLY A 8 -2.915 10.832 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.402 12.522 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.000 10.839 7.541 1.00 0.00 H new ATOM 119 N MET A 9 -0.980 12.052 4.699 1.00 0.00 N ATOM 120 CA MET A 9 0.174 12.251 3.839 1.00 0.00 C ATOM 121 C MET A 9 0.822 13.613 4.097 1.00 0.00 C ATOM 122 O MET A 9 0.127 14.605 4.307 1.00 0.00 O ATOM 123 CB MET A 9 -0.259 12.161 2.374 1.00 0.00 C ATOM 124 CG MET A 9 0.542 11.091 1.630 1.00 0.00 C ATOM 125 SD MET A 9 0.768 11.573 -0.074 1.00 0.00 S ATOM 126 CE MET A 9 1.564 13.155 0.154 1.00 0.00 C ATOM 0 H MET A 9 -1.882 12.147 4.232 1.00 0.00 H new ATOM 0 HA MET A 9 0.906 11.474 4.059 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.322 11.928 2.319 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.119 13.127 1.890 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.511 10.952 2.109 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.021 10.135 1.680 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.332 13.289 -0.608 1.00 0.00 H new ATOM 0 HE2 MET A 9 0.824 13.951 0.067 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.023 13.192 1.142 1.00 0.00 H new ATOM 136 N SER A 10 2.147 13.616 4.074 1.00 0.00 N ATOM 137 CA SER A 10 2.897 14.839 4.303 1.00 0.00 C ATOM 138 C SER A 10 3.638 15.245 3.028 1.00 0.00 C ATOM 139 O SER A 10 3.976 16.414 2.848 1.00 0.00 O ATOM 140 CB SER A 10 3.884 14.671 5.460 1.00 0.00 C ATOM 141 OG SER A 10 3.245 14.790 6.728 1.00 0.00 O ATOM 0 H SER A 10 2.720 12.790 3.900 1.00 0.00 H new ATOM 0 HA SER A 10 2.193 15.626 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.366 13.696 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.670 15.422 5.378 1.00 0.00 H new ATOM 0 HG SER A 10 3.908 14.675 7.440 1.00 0.00 H new ATOM 147 N CYS A 11 3.868 14.258 2.175 1.00 0.00 N ATOM 148 CA CYS A 11 4.563 14.498 0.922 1.00 0.00 C ATOM 149 C CYS A 11 6.064 14.334 1.166 1.00 0.00 C ATOM 150 O CYS A 11 6.478 13.518 1.988 1.00 0.00 O ATOM 151 CB CYS A 11 4.225 15.873 0.342 1.00 0.00 C ATOM 152 SG CYS A 11 4.243 15.803 -1.486 1.00 0.00 S ATOM 0 H CYS A 11 3.585 13.290 2.327 1.00 0.00 H new ATOM 0 HA CYS A 11 4.236 13.772 0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.244 16.193 0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.945 16.612 0.693 1.00 0.00 H new ATOM 0 HG CYS A 11 3.953 16.975 -1.968 1.00 0.00 H new ATOM 158 N ASN A 12 6.839 15.124 0.436 1.00 0.00 N ATOM 159 CA ASN A 12 8.286 15.077 0.563 1.00 0.00 C ATOM 160 C ASN A 12 8.804 13.771 -0.042 1.00 0.00 C ATOM 161 O ASN A 12 9.470 13.784 -1.076 1.00 0.00 O ATOM 162 CB ASN A 12 8.711 15.119 2.032 1.00 0.00 C ATOM 163 CG ASN A 12 7.683 15.871 2.880 1.00 0.00 C ATOM 164 OD1 ASN A 12 7.389 15.511 4.008 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.155 16.931 2.276 1.00 0.00 N ATOM 0 H ASN A 12 6.492 15.800 -0.245 1.00 0.00 H new ATOM 0 HA ASN A 12 8.699 15.942 0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.826 14.103 2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.684 15.603 2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.459 17.499 2.759 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.446 17.177 1.330 1.00 0.00 H new ATOM 172 N HIS A 13 8.480 12.676 0.628 1.00 0.00 N ATOM 173 CA HIS A 13 8.905 11.364 0.169 1.00 0.00 C ATOM 174 C HIS A 13 7.985 10.292 0.757 1.00 0.00 C ATOM 175 O HIS A 13 8.383 9.136 0.895 1.00 0.00 O ATOM 176 CB HIS A 13 10.380 11.125 0.497 1.00 0.00 C ATOM 177 CG HIS A 13 10.606 10.307 1.746 1.00 0.00 C ATOM 178 ND1 HIS A 13 9.941 10.553 2.934 1.00 0.00 N ATOM 179 CD2 HIS A 13 11.430 9.245 1.979 1.00 0.00 C ATOM 180 CE1 HIS A 13 10.353 9.673 3.835 1.00 0.00 C ATOM 181 NE2 HIS A 13 11.277 8.864 3.241 1.00 0.00 N ATOM 0 H HIS A 13 7.928 12.670 1.486 1.00 0.00 H new ATOM 0 HA HIS A 13 8.821 11.310 -0.916 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.852 10.620 -0.346 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.877 12.088 0.611 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.094 8.791 1.258 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.017 9.608 4.859 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.769 8.093 3.693 1.00 0.00 H new ATOM 189 N CYS A 14 6.774 10.713 1.088 1.00 0.00 N ATOM 190 CA CYS A 14 5.794 9.804 1.657 1.00 0.00 C ATOM 191 C CYS A 14 5.406 8.783 0.586 1.00 0.00 C ATOM 192 O CYS A 14 5.538 7.578 0.794 1.00 0.00 O ATOM 193 CB CYS A 14 4.576 10.552 2.201 1.00 0.00 C ATOM 194 SG CYS A 14 4.901 11.119 3.911 1.00 0.00 S ATOM 0 H CYS A 14 6.449 11.673 0.973 1.00 0.00 H new ATOM 0 HA CYS A 14 6.230 9.285 2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.349 11.406 1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.702 9.901 2.185 1.00 0.00 H new ATOM 0 HG CYS A 14 5.604 12.212 3.880 1.00 0.00 H new ATOM 200 N VAL A 15 4.934 9.304 -0.538 1.00 0.00 N ATOM 201 CA VAL A 15 4.525 8.453 -1.643 1.00 0.00 C ATOM 202 C VAL A 15 5.518 7.297 -1.785 1.00 0.00 C ATOM 203 O VAL A 15 5.117 6.137 -1.862 1.00 0.00 O ATOM 204 CB VAL A 15 4.388 9.284 -2.920 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.579 8.414 -4.164 1.00 0.00 C ATOM 206 CG2 VAL A 15 3.042 10.010 -2.960 1.00 0.00 C ATOM 0 H VAL A 15 4.826 10.304 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 15 3.545 8.018 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 15 5.175 10.038 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.477 9.030 -5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.572 7.965 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.825 7.627 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.970 10.593 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.234 9.279 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.962 10.675 -2.100 1.00 0.00 H new ATOM 216 N ALA A 16 6.793 7.655 -1.817 1.00 0.00 N ATOM 217 CA ALA A 16 7.845 6.662 -1.948 1.00 0.00 C ATOM 218 C ALA A 16 7.868 5.779 -0.699 1.00 0.00 C ATOM 219 O ALA A 16 7.920 4.555 -0.800 1.00 0.00 O ATOM 220 CB ALA A 16 9.183 7.364 -2.190 1.00 0.00 C ATOM 0 H ALA A 16 7.121 8.619 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 16 7.656 6.015 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.972 6.619 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.124 7.953 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.407 8.021 -1.349 1.00 0.00 H new ATOM 226 N ARG A 17 7.827 6.436 0.451 1.00 0.00 N ATOM 227 CA ARG A 17 7.841 5.727 1.719 1.00 0.00 C ATOM 228 C ARG A 17 6.701 4.708 1.771 1.00 0.00 C ATOM 229 O ARG A 17 6.908 3.557 2.152 1.00 0.00 O ATOM 230 CB ARG A 17 7.703 6.696 2.895 1.00 0.00 C ATOM 231 CG ARG A 17 8.844 6.509 3.897 1.00 0.00 C ATOM 232 CD ARG A 17 8.892 5.069 4.411 1.00 0.00 C ATOM 233 NE ARG A 17 10.067 4.885 5.292 1.00 0.00 N ATOM 234 CZ ARG A 17 10.085 5.198 6.595 1.00 0.00 C ATOM 235 NH1 ARG A 17 8.992 5.713 7.175 1.00 0.00 N ATOM 236 NH2 ARG A 17 11.196 4.997 7.317 1.00 0.00 N ATOM 0 H ARG A 17 7.784 7.452 0.531 1.00 0.00 H new ATOM 0 HA ARG A 17 8.798 5.211 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.702 7.722 2.527 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.747 6.535 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.793 6.762 3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.713 7.194 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.978 4.839 4.958 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.945 4.376 3.571 1.00 0.00 H new ATOM 0 HE ARG A 17 10.916 4.496 4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.147 5.867 6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.005 5.951 8.167 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.028 4.606 6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.210 5.235 8.309 1.00 0.00 H new ATOM 250 N ILE A 18 5.521 5.168 1.381 1.00 0.00 N ATOM 251 CA ILE A 18 4.347 4.311 1.378 1.00 0.00 C ATOM 252 C ILE A 18 4.537 3.198 0.345 1.00 0.00 C ATOM 253 O ILE A 18 4.398 2.019 0.666 1.00 0.00 O ATOM 254 CB ILE A 18 3.079 5.140 1.164 1.00 0.00 C ATOM 255 CG1 ILE A 18 2.998 6.288 2.171 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.832 4.254 1.202 1.00 0.00 C ATOM 257 CD1 ILE A 18 1.772 7.165 1.907 1.00 0.00 C ATOM 0 H ILE A 18 5.353 6.123 1.065 1.00 0.00 H new ATOM 0 HA ILE A 18 4.224 3.829 2.348 1.00 0.00 H new ATOM 0 HB ILE A 18 3.126 5.587 0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.951 5.886 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.902 6.894 2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.945 4.868 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.895 3.503 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.767 3.759 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.739 7.973 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.835 7.585 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.868 6.562 1.992 1.00 0.00 H new ATOM 269 N GLU A 19 4.850 3.613 -0.874 1.00 0.00 N ATOM 270 CA GLU A 19 5.059 2.666 -1.956 1.00 0.00 C ATOM 271 C GLU A 19 6.139 1.652 -1.572 1.00 0.00 C ATOM 272 O GLU A 19 5.930 0.445 -1.684 1.00 0.00 O ATOM 273 CB GLU A 19 5.423 3.388 -3.254 1.00 0.00 C ATOM 274 CG GLU A 19 5.055 2.542 -4.474 1.00 0.00 C ATOM 275 CD GLU A 19 6.245 1.697 -4.935 1.00 0.00 C ATOM 276 OE1 GLU A 19 7.376 2.227 -4.870 1.00 0.00 O ATOM 277 OE2 GLU A 19 5.998 0.542 -5.341 1.00 0.00 O ATOM 0 H GLU A 19 4.964 4.592 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 19 4.126 2.128 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.903 4.345 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.491 3.605 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.215 1.891 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.729 3.192 -5.286 1.00 0.00 H new ATOM 284 N GLU A 20 7.270 2.179 -1.127 1.00 0.00 N ATOM 285 CA GLU A 20 8.382 1.335 -0.725 1.00 0.00 C ATOM 286 C GLU A 20 8.005 0.509 0.506 1.00 0.00 C ATOM 287 O GLU A 20 8.358 -0.665 0.602 1.00 0.00 O ATOM 288 CB GLU A 20 9.637 2.170 -0.462 1.00 0.00 C ATOM 289 CG GLU A 20 10.900 1.399 -0.850 1.00 0.00 C ATOM 290 CD GLU A 20 11.733 1.053 0.386 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.220 0.271 1.216 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.864 1.580 0.474 1.00 0.00 O ATOM 0 H GLU A 20 7.440 3.181 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 20 8.606 0.650 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.585 3.099 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.682 2.442 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.625 0.484 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.497 1.996 -1.540 1.00 0.00 H new ATOM 299 N ALA A 21 7.292 1.156 1.417 1.00 0.00 N ATOM 300 CA ALA A 21 6.863 0.496 2.638 1.00 0.00 C ATOM 301 C ALA A 21 5.955 -0.683 2.284 1.00 0.00 C ATOM 302 O ALA A 21 6.160 -1.796 2.765 1.00 0.00 O ATOM 303 CB ALA A 21 6.172 1.511 3.551 1.00 0.00 C ATOM 0 H ALA A 21 7.001 2.130 1.334 1.00 0.00 H new ATOM 0 HA ALA A 21 7.721 0.099 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.850 1.016 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.869 2.312 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.304 1.929 3.040 1.00 0.00 H new ATOM 309 N VAL A 22 4.970 -0.399 1.444 1.00 0.00 N ATOM 310 CA VAL A 22 4.030 -1.422 1.020 1.00 0.00 C ATOM 311 C VAL A 22 4.752 -2.433 0.128 1.00 0.00 C ATOM 312 O VAL A 22 4.407 -3.614 0.117 1.00 0.00 O ATOM 313 CB VAL A 22 2.825 -0.773 0.335 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.801 -1.828 -0.088 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.184 0.283 1.237 1.00 0.00 C ATOM 0 H VAL A 22 4.803 0.525 1.046 1.00 0.00 H new ATOM 0 HA VAL A 22 3.643 -1.967 1.881 1.00 0.00 H new ATOM 0 HB VAL A 22 3.181 -0.272 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.955 -1.340 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.265 -2.526 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.453 -2.370 0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.330 0.728 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.849 -0.184 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.915 1.059 1.466 1.00 0.00 H new ATOM 325 N GLY A 23 5.741 -1.934 -0.598 1.00 0.00 N ATOM 326 CA GLY A 23 6.514 -2.780 -1.491 1.00 0.00 C ATOM 327 C GLY A 23 7.409 -3.737 -0.702 1.00 0.00 C ATOM 328 O GLY A 23 8.036 -4.624 -1.278 1.00 0.00 O ATOM 0 H GLY A 23 6.025 -0.954 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.841 -3.350 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.127 -2.160 -2.146 1.00 0.00 H new ATOM 332 N ARG A 24 7.439 -3.525 0.606 1.00 0.00 N ATOM 333 CA ARG A 24 8.247 -4.358 1.481 1.00 0.00 C ATOM 334 C ARG A 24 7.412 -5.517 2.030 1.00 0.00 C ATOM 335 O ARG A 24 7.956 -6.472 2.581 1.00 0.00 O ATOM 336 CB ARG A 24 8.810 -3.546 2.649 1.00 0.00 C ATOM 337 CG ARG A 24 9.384 -4.465 3.729 1.00 0.00 C ATOM 338 CD ARG A 24 10.542 -3.790 4.465 1.00 0.00 C ATOM 339 NE ARG A 24 11.751 -4.640 4.395 1.00 0.00 N ATOM 340 CZ ARG A 24 12.597 -4.659 3.355 1.00 0.00 C ATOM 341 NH1 ARG A 24 12.371 -3.874 2.293 1.00 0.00 N ATOM 342 NH2 ARG A 24 13.669 -5.463 3.378 1.00 0.00 N ATOM 0 H ARG A 24 6.917 -2.789 1.081 1.00 0.00 H new ATOM 0 HA ARG A 24 9.077 -4.750 0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.588 -2.874 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.024 -2.924 3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.601 -4.729 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.729 -5.394 3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.747 -2.815 4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.270 -3.616 5.506 1.00 0.00 H new ATOM 0 HE ARG A 24 11.954 -5.250 5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.555 -3.262 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.015 -3.889 1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.841 -6.060 4.187 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.313 -5.478 2.587 1.00 0.00 H new ATOM 356 N ILE A 25 6.104 -5.394 1.860 1.00 0.00 N ATOM 357 CA ILE A 25 5.188 -6.419 2.332 1.00 0.00 C ATOM 358 C ILE A 25 5.393 -7.695 1.513 1.00 0.00 C ATOM 359 O ILE A 25 5.181 -7.700 0.301 1.00 0.00 O ATOM 360 CB ILE A 25 3.749 -5.901 2.314 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.623 -4.601 3.112 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.774 -6.973 2.807 1.00 0.00 C ATOM 363 CD1 ILE A 25 4.219 -4.759 4.512 1.00 0.00 C ATOM 0 H ILE A 25 5.656 -4.600 1.402 1.00 0.00 H new ATOM 0 HA ILE A 25 5.399 -6.669 3.372 1.00 0.00 H new ATOM 0 HB ILE A 25 3.482 -5.672 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.133 -3.795 2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.573 -4.317 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.758 -6.579 2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.838 -7.848 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.030 -7.256 3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.117 -3.822 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.691 -5.549 5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.274 -5.019 4.431 1.00 0.00 H new ATOM 375 N SER A 26 5.802 -8.746 2.208 1.00 0.00 N ATOM 376 CA SER A 26 6.037 -10.026 1.561 1.00 0.00 C ATOM 377 C SER A 26 4.722 -10.586 1.015 1.00 0.00 C ATOM 378 O SER A 26 3.905 -11.109 1.771 1.00 0.00 O ATOM 379 CB SER A 26 6.678 -11.023 2.528 1.00 0.00 C ATOM 380 OG SER A 26 6.841 -12.310 1.938 1.00 0.00 O ATOM 0 H SER A 26 5.977 -8.738 3.213 1.00 0.00 H new ATOM 0 HA SER A 26 6.729 -9.869 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.649 -10.645 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.060 -11.110 3.422 1.00 0.00 H new ATOM 0 HG SER A 26 7.255 -12.917 2.587 1.00 0.00 H new ATOM 386 N GLY A 27 4.559 -10.457 -0.294 1.00 0.00 N ATOM 387 CA GLY A 27 3.357 -10.944 -0.949 1.00 0.00 C ATOM 388 C GLY A 27 2.856 -9.942 -1.991 1.00 0.00 C ATOM 389 O GLY A 27 2.106 -10.304 -2.896 1.00 0.00 O ATOM 0 H GLY A 27 5.239 -10.023 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.562 -11.901 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.580 -11.120 -0.206 1.00 0.00 H new ATOM 393 N VAL A 28 3.291 -8.701 -1.828 1.00 0.00 N ATOM 394 CA VAL A 28 2.896 -7.643 -2.743 1.00 0.00 C ATOM 395 C VAL A 28 3.683 -7.783 -4.048 1.00 0.00 C ATOM 396 O VAL A 28 4.901 -7.957 -4.026 1.00 0.00 O ATOM 397 CB VAL A 28 3.081 -6.279 -2.077 1.00 0.00 C ATOM 398 CG1 VAL A 28 3.331 -5.188 -3.121 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.879 -5.931 -1.197 1.00 0.00 C ATOM 0 H VAL A 28 3.913 -8.404 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 28 1.838 -7.728 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 28 3.960 -6.336 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.459 -4.228 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.232 -5.425 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.480 -5.132 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.036 -4.956 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.977 -5.902 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.766 -6.687 -0.420 1.00 0.00 H new ATOM 409 N LYS A 29 2.956 -7.702 -5.152 1.00 0.00 N ATOM 410 CA LYS A 29 3.571 -7.818 -6.463 1.00 0.00 C ATOM 411 C LYS A 29 3.852 -6.419 -7.015 1.00 0.00 C ATOM 412 O LYS A 29 4.934 -6.160 -7.540 1.00 0.00 O ATOM 413 CB LYS A 29 2.708 -8.680 -7.386 1.00 0.00 C ATOM 414 CG LYS A 29 3.571 -9.643 -8.204 1.00 0.00 C ATOM 415 CD LYS A 29 3.422 -9.375 -9.703 1.00 0.00 C ATOM 416 CE LYS A 29 4.536 -10.061 -10.496 1.00 0.00 C ATOM 417 NZ LYS A 29 4.062 -11.351 -11.045 1.00 0.00 N ATOM 0 H LYS A 29 1.946 -7.557 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 29 4.530 -8.332 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.988 -9.245 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.136 -8.040 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.616 -9.536 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.283 -10.671 -7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.452 -9.735 -10.046 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.447 -8.301 -9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.865 -9.412 -11.308 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.399 -10.228 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.830 -11.804 -11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.770 -11.974 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.252 -11.183 -11.676 1.00 0.00 H new ATOM 431 N LYS A 30 2.859 -5.552 -6.877 1.00 0.00 N ATOM 432 CA LYS A 30 2.986 -4.186 -7.355 1.00 0.00 C ATOM 433 C LYS A 30 2.239 -3.247 -6.406 1.00 0.00 C ATOM 434 O LYS A 30 1.170 -3.588 -5.904 1.00 0.00 O ATOM 435 CB LYS A 30 2.527 -4.083 -8.811 1.00 0.00 C ATOM 436 CG LYS A 30 2.700 -5.419 -9.537 1.00 0.00 C ATOM 437 CD LYS A 30 2.515 -5.251 -11.046 1.00 0.00 C ATOM 438 CE LYS A 30 3.561 -6.056 -11.819 1.00 0.00 C ATOM 439 NZ LYS A 30 3.640 -5.592 -13.222 1.00 0.00 N ATOM 0 H LYS A 30 1.963 -5.770 -6.441 1.00 0.00 H new ATOM 0 HA LYS A 30 4.031 -3.877 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.481 -3.779 -8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.100 -3.310 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.691 -5.823 -9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.977 -6.140 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.515 -5.578 -11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.594 -4.197 -11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.535 -5.952 -11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.305 -7.115 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.355 -6.149 -13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.714 -5.713 -13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.906 -4.587 -13.241 1.00 0.00 H new ATOM 453 N VAL A 31 2.832 -2.082 -6.190 1.00 0.00 N ATOM 454 CA VAL A 31 2.236 -1.091 -5.310 1.00 0.00 C ATOM 455 C VAL A 31 2.574 0.310 -5.824 1.00 0.00 C ATOM 456 O VAL A 31 3.677 0.546 -6.315 1.00 0.00 O ATOM 457 CB VAL A 31 2.695 -1.326 -3.870 1.00 0.00 C ATOM 458 CG1 VAL A 31 4.200 -1.597 -3.811 1.00 0.00 C ATOM 459 CG2 VAL A 31 2.315 -0.146 -2.974 1.00 0.00 C ATOM 0 H VAL A 31 3.719 -1.802 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 31 1.150 -1.184 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 31 2.181 -2.211 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.500 -1.761 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.433 -2.483 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.740 -0.740 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.653 -0.339 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.788 0.762 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.232 -0.019 -2.979 1.00 0.00 H new ATOM 469 N LYS A 32 1.604 1.203 -5.694 1.00 0.00 N ATOM 470 CA LYS A 32 1.784 2.574 -6.140 1.00 0.00 C ATOM 471 C LYS A 32 0.835 3.488 -5.362 1.00 0.00 C ATOM 472 O LYS A 32 -0.118 3.016 -4.742 1.00 0.00 O ATOM 473 CB LYS A 32 1.623 2.670 -7.658 1.00 0.00 C ATOM 474 CG LYS A 32 2.114 4.023 -8.177 1.00 0.00 C ATOM 475 CD LYS A 32 2.093 4.064 -9.707 1.00 0.00 C ATOM 476 CE LYS A 32 3.210 4.958 -10.247 1.00 0.00 C ATOM 477 NZ LYS A 32 4.173 4.163 -11.042 1.00 0.00 N ATOM 0 H LYS A 32 0.691 1.004 -5.286 1.00 0.00 H new ATOM 0 HA LYS A 32 2.798 2.913 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.183 1.867 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.575 2.532 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.484 4.819 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.127 4.208 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.207 3.055 -10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.127 4.435 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.784 5.748 -10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.727 5.444 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.925 4.786 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.592 3.424 -10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.679 3.719 -11.843 1.00 0.00 H new ATOM 491 N VAL A 33 1.127 4.779 -5.420 1.00 0.00 N ATOM 492 CA VAL A 33 0.311 5.762 -4.728 1.00 0.00 C ATOM 493 C VAL A 33 0.201 7.023 -5.589 1.00 0.00 C ATOM 494 O VAL A 33 1.083 7.305 -6.398 1.00 0.00 O ATOM 495 CB VAL A 33 0.888 6.036 -3.338 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.109 6.954 -3.422 1.00 0.00 C ATOM 497 CG2 VAL A 33 -0.176 6.623 -2.409 1.00 0.00 C ATOM 0 H VAL A 33 1.917 5.167 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.699 5.382 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 33 1.213 5.085 -2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.500 7.133 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.878 6.481 -4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.820 7.903 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.260 6.808 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.545 7.560 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.002 5.919 -2.312 1.00 0.00 H new ATOM 507 N GLN A 34 -0.889 7.747 -5.384 1.00 0.00 N ATOM 508 CA GLN A 34 -1.126 8.971 -6.131 1.00 0.00 C ATOM 509 C GLN A 34 -1.403 10.132 -5.174 1.00 0.00 C ATOM 510 O GLN A 34 -2.311 10.056 -4.347 1.00 0.00 O ATOM 511 CB GLN A 34 -2.275 8.793 -7.125 1.00 0.00 C ATOM 512 CG GLN A 34 -1.908 7.780 -8.212 1.00 0.00 C ATOM 513 CD GLN A 34 -1.844 8.451 -9.586 1.00 0.00 C ATOM 514 OE1 GLN A 34 -2.138 9.624 -9.747 1.00 0.00 O ATOM 515 NE2 GLN A 34 -1.444 7.643 -10.564 1.00 0.00 N ATOM 0 H GLN A 34 -1.618 7.510 -4.711 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.228 9.204 -6.703 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.168 8.458 -6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.516 9.752 -7.583 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.945 7.325 -7.980 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.644 6.977 -8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.213 6.671 -10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.368 7.996 -11.518 1.00 0.00 H new ATOM 524 N LEU A 35 -0.605 11.179 -5.318 1.00 0.00 N ATOM 525 CA LEU A 35 -0.753 12.354 -4.476 1.00 0.00 C ATOM 526 C LEU A 35 -2.084 13.040 -4.794 1.00 0.00 C ATOM 527 O LEU A 35 -2.854 13.358 -3.890 1.00 0.00 O ATOM 528 CB LEU A 35 0.462 13.273 -4.620 1.00 0.00 C ATOM 529 CG LEU A 35 0.456 14.533 -3.752 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.277 14.180 -2.274 1.00 0.00 C ATOM 531 CD2 LEU A 35 1.714 15.370 -3.993 1.00 0.00 C ATOM 0 H LEU A 35 0.146 11.239 -6.005 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.784 12.068 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.358 12.698 -4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.542 13.575 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.398 15.144 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.276 15.093 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.669 13.657 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.096 13.538 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.685 16.260 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.597 14.780 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.758 15.668 -5.041 1.00 0.00 H new ATOM 543 N LYS A 36 -2.313 13.246 -6.083 1.00 0.00 N ATOM 544 CA LYS A 36 -3.537 13.888 -6.532 1.00 0.00 C ATOM 545 C LYS A 36 -4.645 12.839 -6.645 1.00 0.00 C ATOM 546 O LYS A 36 -5.402 12.833 -7.615 1.00 0.00 O ATOM 547 CB LYS A 36 -3.291 14.665 -7.827 1.00 0.00 C ATOM 548 CG LYS A 36 -2.169 15.690 -7.646 1.00 0.00 C ATOM 549 CD LYS A 36 -1.785 16.323 -8.985 1.00 0.00 C ATOM 550 CE LYS A 36 -2.832 17.347 -9.428 1.00 0.00 C ATOM 551 NZ LYS A 36 -3.776 16.739 -10.391 1.00 0.00 N ATOM 0 H LYS A 36 -1.672 12.980 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.870 14.627 -5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.030 13.972 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.207 15.172 -8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.489 16.466 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.297 15.207 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.812 16.807 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.687 15.546 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.377 17.717 -8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.339 18.205 -9.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.729 17.124 -10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.471 16.957 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.793 15.708 -10.257 1.00 0.00 H new ATOM 565 N LYS A 37 -4.706 11.977 -5.641 1.00 0.00 N ATOM 566 CA LYS A 37 -5.709 10.927 -5.616 1.00 0.00 C ATOM 567 C LYS A 37 -6.112 10.647 -4.166 1.00 0.00 C ATOM 568 O LYS A 37 -7.283 10.400 -3.881 1.00 0.00 O ATOM 569 CB LYS A 37 -5.209 9.690 -6.364 1.00 0.00 C ATOM 570 CG LYS A 37 -6.332 9.055 -7.187 1.00 0.00 C ATOM 571 CD LYS A 37 -5.943 7.650 -7.653 1.00 0.00 C ATOM 572 CE LYS A 37 -6.343 7.427 -9.113 1.00 0.00 C ATOM 573 NZ LYS A 37 -6.593 5.991 -9.368 1.00 0.00 N ATOM 0 H LYS A 37 -4.077 11.985 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.608 11.247 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.384 9.967 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.820 8.963 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.242 9.005 -6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.553 9.681 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.868 7.510 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.428 6.906 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.238 8.005 -9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.553 7.787 -9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.863 5.857 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.729 5.447 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.362 5.658 -8.753 1.00 0.00 H new ATOM 587 N GLU A 38 -5.120 10.695 -3.290 1.00 0.00 N ATOM 588 CA GLU A 38 -5.356 10.450 -1.878 1.00 0.00 C ATOM 589 C GLU A 38 -5.665 8.970 -1.640 1.00 0.00 C ATOM 590 O GLU A 38 -6.406 8.627 -0.720 1.00 0.00 O ATOM 591 CB GLU A 38 -6.484 11.338 -1.348 1.00 0.00 C ATOM 592 CG GLU A 38 -5.924 12.546 -0.595 1.00 0.00 C ATOM 593 CD GLU A 38 -6.823 12.922 0.584 1.00 0.00 C ATOM 594 OE1 GLU A 38 -6.632 12.315 1.659 1.00 0.00 O ATOM 595 OE2 GLU A 38 -7.680 13.810 0.383 1.00 0.00 O ATOM 0 H GLU A 38 -4.150 10.900 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.449 10.705 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.104 11.678 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.127 10.758 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.920 12.321 -0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.836 13.394 -1.275 1.00 0.00 H new ATOM 602 N LYS A 39 -5.082 8.134 -2.486 1.00 0.00 N ATOM 603 CA LYS A 39 -5.286 6.699 -2.380 1.00 0.00 C ATOM 604 C LYS A 39 -4.088 5.971 -2.991 1.00 0.00 C ATOM 605 O LYS A 39 -3.362 6.539 -3.806 1.00 0.00 O ATOM 606 CB LYS A 39 -6.628 6.301 -2.998 1.00 0.00 C ATOM 607 CG LYS A 39 -7.185 7.428 -3.870 1.00 0.00 C ATOM 608 CD LYS A 39 -8.413 6.959 -4.653 1.00 0.00 C ATOM 609 CE LYS A 39 -9.701 7.259 -3.885 1.00 0.00 C ATOM 610 NZ LYS A 39 -10.833 7.440 -4.821 1.00 0.00 N ATOM 0 H LYS A 39 -4.468 8.423 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.342 6.399 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.503 5.400 -3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.340 6.062 -2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.452 8.279 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.416 7.770 -4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.441 7.454 -5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.340 5.888 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.919 6.443 -3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.571 8.159 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.699 7.643 -4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.630 8.233 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.966 6.571 -5.377 1.00 0.00 H new ATOM 624 N ALA A 40 -3.918 4.724 -2.576 1.00 0.00 N ATOM 625 CA ALA A 40 -2.820 3.913 -3.073 1.00 0.00 C ATOM 626 C ALA A 40 -3.377 2.619 -3.668 1.00 0.00 C ATOM 627 O ALA A 40 -4.397 2.108 -3.209 1.00 0.00 O ATOM 628 CB ALA A 40 -1.824 3.653 -1.941 1.00 0.00 C ATOM 0 H ALA A 40 -4.523 4.256 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.284 4.436 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.000 3.044 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.436 4.603 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.325 3.126 -1.129 1.00 0.00 H new ATOM 634 N VAL A 41 -2.682 2.125 -4.683 1.00 0.00 N ATOM 635 CA VAL A 41 -3.095 0.899 -5.346 1.00 0.00 C ATOM 636 C VAL A 41 -2.026 -0.175 -5.134 1.00 0.00 C ATOM 637 O VAL A 41 -0.834 0.128 -5.101 1.00 0.00 O ATOM 638 CB VAL A 41 -3.380 1.175 -6.824 1.00 0.00 C ATOM 639 CG1 VAL A 41 -3.912 -0.078 -7.522 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.351 2.346 -6.985 1.00 0.00 C ATOM 0 H VAL A 41 -1.836 2.551 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.023 0.524 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.440 1.451 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.107 0.145 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.172 -0.876 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.837 -0.397 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.537 2.521 -8.045 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.291 2.111 -6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.918 3.242 -6.539 1.00 0.00 H new ATOM 650 N VAL A 42 -2.491 -1.408 -4.997 1.00 0.00 N ATOM 651 CA VAL A 42 -1.590 -2.529 -4.789 1.00 0.00 C ATOM 652 C VAL A 42 -2.152 -3.766 -5.492 1.00 0.00 C ATOM 653 O VAL A 42 -3.355 -3.856 -5.730 1.00 0.00 O ATOM 654 CB VAL A 42 -1.360 -2.745 -3.292 1.00 0.00 C ATOM 655 CG1 VAL A 42 -0.477 -3.969 -3.044 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.760 -1.496 -2.644 1.00 0.00 C ATOM 0 H VAL A 42 -3.480 -1.656 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.614 -2.321 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.328 -2.931 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.329 -4.100 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.960 -4.856 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.489 -3.825 -3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.606 -1.676 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.196 -1.265 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.441 -0.655 -2.775 1.00 0.00 H new ATOM 666 N LYS A 43 -1.254 -4.689 -5.804 1.00 0.00 N ATOM 667 CA LYS A 43 -1.645 -5.917 -6.475 1.00 0.00 C ATOM 668 C LYS A 43 -0.984 -7.107 -5.777 1.00 0.00 C ATOM 669 O LYS A 43 -0.050 -7.704 -6.309 1.00 0.00 O ATOM 670 CB LYS A 43 -1.335 -5.832 -7.971 1.00 0.00 C ATOM 671 CG LYS A 43 -2.292 -6.711 -8.780 1.00 0.00 C ATOM 672 CD LYS A 43 -2.109 -6.482 -10.282 1.00 0.00 C ATOM 673 CE LYS A 43 -3.000 -7.425 -11.092 1.00 0.00 C ATOM 674 NZ LYS A 43 -3.512 -6.742 -12.302 1.00 0.00 N ATOM 0 H LYS A 43 -0.257 -4.611 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.723 -6.063 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.416 -4.797 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.307 -6.146 -8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.115 -7.760 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.321 -6.490 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.350 -5.448 -10.528 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.065 -6.640 -10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.435 -8.312 -11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.834 -7.764 -10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.115 -7.396 -12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.068 -5.909 -12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.713 -6.440 -12.895 1.00 0.00 H new ATOM 688 N PHE A 44 -1.496 -7.417 -4.595 1.00 0.00 N ATOM 689 CA PHE A 44 -0.968 -8.525 -3.818 1.00 0.00 C ATOM 690 C PHE A 44 -1.900 -9.737 -3.886 1.00 0.00 C ATOM 691 O PHE A 44 -2.939 -9.689 -4.543 1.00 0.00 O ATOM 692 CB PHE A 44 -0.874 -8.050 -2.366 1.00 0.00 C ATOM 693 CG PHE A 44 -2.220 -7.658 -1.752 1.00 0.00 C ATOM 694 CD1 PHE A 44 -3.089 -8.622 -1.348 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.546 -6.345 -1.611 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.338 -8.259 -0.778 1.00 0.00 C ATOM 697 CE2 PHE A 44 -3.795 -5.982 -1.041 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.664 -6.946 -0.636 1.00 0.00 C ATOM 0 H PHE A 44 -2.271 -6.920 -4.157 1.00 0.00 H new ATOM 0 HA PHE A 44 0.003 -8.825 -4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.428 -8.841 -1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.201 -7.194 -2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.829 -9.664 -1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.856 -5.579 -1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.029 -9.025 -0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.055 -4.940 -0.929 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.613 -6.669 -0.201 1.00 0.00 H new ATOM 708 N ASP A 45 -1.494 -10.795 -3.199 1.00 0.00 N ATOM 709 CA ASP A 45 -2.280 -12.016 -3.173 1.00 0.00 C ATOM 710 C ASP A 45 -3.148 -12.033 -1.914 1.00 0.00 C ATOM 711 O ASP A 45 -2.635 -11.935 -0.800 1.00 0.00 O ATOM 712 CB ASP A 45 -1.378 -13.251 -3.142 1.00 0.00 C ATOM 713 CG ASP A 45 -2.113 -14.587 -3.019 1.00 0.00 C ATOM 714 OD1 ASP A 45 -3.341 -14.583 -3.256 1.00 0.00 O ATOM 715 OD2 ASP A 45 -1.432 -15.582 -2.691 1.00 0.00 O ATOM 0 H ASP A 45 -0.631 -10.831 -2.656 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.894 -12.040 -4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.778 -13.266 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.686 -13.156 -2.305 1.00 0.00 H new ATOM 720 N GLU A 46 -4.449 -12.159 -2.132 1.00 0.00 N ATOM 721 CA GLU A 46 -5.393 -12.190 -1.028 1.00 0.00 C ATOM 722 C GLU A 46 -5.409 -13.576 -0.381 1.00 0.00 C ATOM 723 O GLU A 46 -6.071 -13.784 0.634 1.00 0.00 O ATOM 724 CB GLU A 46 -6.794 -11.786 -1.493 1.00 0.00 C ATOM 725 CG GLU A 46 -7.470 -10.874 -0.467 1.00 0.00 C ATOM 726 CD GLU A 46 -8.983 -10.825 -0.691 1.00 0.00 C ATOM 727 OE1 GLU A 46 -9.414 -9.945 -1.466 1.00 0.00 O ATOM 728 OE2 GLU A 46 -9.674 -11.670 -0.081 1.00 0.00 O ATOM 0 H GLU A 46 -4.871 -12.241 -3.057 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.071 -11.465 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.729 -11.274 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.401 -12.678 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.259 -11.234 0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.055 -9.869 -0.539 1.00 0.00 H new ATOM 735 N ALA A 47 -4.671 -14.489 -0.996 1.00 0.00 N ATOM 736 CA ALA A 47 -4.591 -15.850 -0.493 1.00 0.00 C ATOM 737 C ALA A 47 -3.502 -15.930 0.578 1.00 0.00 C ATOM 738 O ALA A 47 -3.284 -16.987 1.169 1.00 0.00 O ATOM 739 CB ALA A 47 -4.337 -16.810 -1.657 1.00 0.00 C ATOM 0 H ALA A 47 -4.123 -14.313 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.532 -16.144 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.277 -17.831 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.154 -16.736 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.399 -16.548 -2.147 1.00 0.00 H new ATOM 745 N ASN A 48 -2.847 -14.800 0.797 1.00 0.00 N ATOM 746 CA ASN A 48 -1.786 -14.729 1.787 1.00 0.00 C ATOM 747 C ASN A 48 -1.872 -13.391 2.525 1.00 0.00 C ATOM 748 O ASN A 48 -2.208 -13.351 3.708 1.00 0.00 O ATOM 749 CB ASN A 48 -0.409 -14.817 1.126 1.00 0.00 C ATOM 750 CG ASN A 48 0.422 -15.946 1.737 1.00 0.00 C ATOM 751 OD1 ASN A 48 1.040 -15.803 2.779 1.00 0.00 O ATOM 752 ND2 ASN A 48 0.402 -17.075 1.034 1.00 0.00 N ATOM 0 H ASN A 48 -3.031 -13.925 0.305 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.910 -15.566 2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.526 -14.985 0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.116 -13.869 1.244 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.925 -17.888 1.360 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.136 -17.128 0.169 1.00 0.00 H new ATOM 759 N VAL A 49 -1.562 -12.329 1.797 1.00 0.00 N ATOM 760 CA VAL A 49 -1.599 -10.993 2.367 1.00 0.00 C ATOM 761 C VAL A 49 -2.949 -10.346 2.050 1.00 0.00 C ATOM 762 O VAL A 49 -3.582 -10.680 1.050 1.00 0.00 O ATOM 763 CB VAL A 49 -0.410 -10.174 1.862 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.537 -9.890 0.364 1.00 0.00 C ATOM 765 CG2 VAL A 49 -0.261 -8.875 2.656 1.00 0.00 C ATOM 0 H VAL A 49 -1.284 -12.366 0.816 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.506 -11.038 3.452 1.00 0.00 H new ATOM 0 HB VAL A 49 0.493 -10.765 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.321 -9.306 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.570 -10.832 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.453 -9.329 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.592 -8.312 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.166 -8.278 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.102 -9.108 3.709 1.00 0.00 H new ATOM 775 N GLN A 50 -3.349 -9.430 2.921 1.00 0.00 N ATOM 776 CA GLN A 50 -4.611 -8.733 2.746 1.00 0.00 C ATOM 777 C GLN A 50 -4.385 -7.220 2.734 1.00 0.00 C ATOM 778 O GLN A 50 -3.398 -6.732 3.283 1.00 0.00 O ATOM 779 CB GLN A 50 -5.611 -9.129 3.834 1.00 0.00 C ATOM 780 CG GLN A 50 -6.163 -10.534 3.587 1.00 0.00 C ATOM 781 CD GLN A 50 -7.691 -10.543 3.651 1.00 0.00 C ATOM 782 OE1 GLN A 50 -8.298 -11.130 4.533 1.00 0.00 O ATOM 783 NE2 GLN A 50 -8.278 -9.862 2.671 1.00 0.00 N ATOM 0 H GLN A 50 -2.821 -9.155 3.749 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.035 -9.025 1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.126 -9.091 4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.431 -8.411 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.834 -10.891 2.611 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.761 -11.222 4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.711 -9.394 1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.296 -9.808 2.626 1.00 0.00 H new ATOM 792 N ALA A 51 -5.315 -6.519 2.102 1.00 0.00 N ATOM 793 CA ALA A 51 -5.229 -5.071 2.011 1.00 0.00 C ATOM 794 C ALA A 51 -5.168 -4.479 3.420 1.00 0.00 C ATOM 795 O ALA A 51 -4.485 -3.482 3.650 1.00 0.00 O ATOM 796 CB ALA A 51 -6.415 -4.539 1.205 1.00 0.00 C ATOM 0 H ALA A 51 -6.132 -6.927 1.648 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.320 -4.772 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.351 -3.453 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.395 -4.967 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.345 -4.817 1.700 1.00 0.00 H new ATOM 802 N THR A 52 -5.893 -5.118 4.328 1.00 0.00 N ATOM 803 CA THR A 52 -5.930 -4.666 5.708 1.00 0.00 C ATOM 804 C THR A 52 -4.511 -4.521 6.261 1.00 0.00 C ATOM 805 O THR A 52 -4.222 -3.583 7.002 1.00 0.00 O ATOM 806 CB THR A 52 -6.794 -5.647 6.503 1.00 0.00 C ATOM 807 OG1 THR A 52 -7.985 -4.915 6.781 1.00 0.00 O ATOM 808 CG2 THR A 52 -6.213 -5.953 7.885 1.00 0.00 C ATOM 0 H THR A 52 -6.459 -5.944 4.134 1.00 0.00 H new ATOM 0 HA THR A 52 -6.378 -3.676 5.788 1.00 0.00 H new ATOM 0 HB THR A 52 -6.900 -6.575 5.941 1.00 0.00 H new ATOM 0 HG1 THR A 52 -8.603 -5.478 7.293 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.865 -6.654 8.407 1.00 0.00 H new ATOM 0 HG22 THR A 52 -5.222 -6.393 7.774 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.138 -5.030 8.460 1.00 0.00 H new ATOM 816 N GLU A 53 -3.662 -5.464 5.878 1.00 0.00 N ATOM 817 CA GLU A 53 -2.280 -5.454 6.326 1.00 0.00 C ATOM 818 C GLU A 53 -1.548 -4.234 5.761 1.00 0.00 C ATOM 819 O GLU A 53 -0.781 -3.584 6.468 1.00 0.00 O ATOM 820 CB GLU A 53 -1.567 -6.750 5.936 1.00 0.00 C ATOM 821 CG GLU A 53 -0.846 -7.362 7.139 1.00 0.00 C ATOM 822 CD GLU A 53 0.657 -7.477 6.877 1.00 0.00 C ATOM 823 OE1 GLU A 53 1.299 -6.408 6.779 1.00 0.00 O ATOM 824 OE2 GLU A 53 1.130 -8.629 6.781 1.00 0.00 O ATOM 0 H GLU A 53 -3.905 -6.240 5.262 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.272 -5.387 7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.291 -7.462 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.849 -6.549 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.019 -6.747 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.258 -8.348 7.351 1.00 0.00 H new ATOM 831 N ILE A 54 -1.812 -3.962 4.491 1.00 0.00 N ATOM 832 CA ILE A 54 -1.188 -2.833 3.823 1.00 0.00 C ATOM 833 C ILE A 54 -1.597 -1.539 4.530 1.00 0.00 C ATOM 834 O ILE A 54 -0.785 -0.627 4.682 1.00 0.00 O ATOM 835 CB ILE A 54 -1.516 -2.847 2.328 1.00 0.00 C ATOM 836 CG1 ILE A 54 -0.849 -4.035 1.632 1.00 0.00 C ATOM 837 CG2 ILE A 54 -1.143 -1.516 1.673 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.415 -4.235 0.225 1.00 0.00 C ATOM 0 H ILE A 54 -2.449 -4.504 3.908 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.102 -2.904 3.888 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.593 -2.971 2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.227 -3.870 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.002 -4.939 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.386 -1.552 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.702 -0.709 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.075 -1.337 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.924 -5.086 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.487 -4.424 0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.238 -3.338 -0.369 1.00 0.00 H new ATOM 850 N CYS A 55 -2.855 -1.499 4.943 1.00 0.00 N ATOM 851 CA CYS A 55 -3.381 -0.332 5.630 1.00 0.00 C ATOM 852 C CYS A 55 -2.602 -0.151 6.934 1.00 0.00 C ATOM 853 O CYS A 55 -2.228 0.966 7.288 1.00 0.00 O ATOM 854 CB CYS A 55 -4.886 -0.451 5.875 1.00 0.00 C ATOM 855 SG CYS A 55 -5.775 0.861 4.960 1.00 0.00 S ATOM 0 H CYS A 55 -3.526 -2.257 4.815 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.250 0.551 5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.238 -1.432 5.555 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.097 -0.369 6.941 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.947 1.473 4.166 1.00 0.00 H new ATOM 861 N GLN A 56 -2.382 -1.266 7.614 1.00 0.00 N ATOM 862 CA GLN A 56 -1.654 -1.245 8.872 1.00 0.00 C ATOM 863 C GLN A 56 -0.226 -0.743 8.650 1.00 0.00 C ATOM 864 O GLN A 56 0.272 0.081 9.416 1.00 0.00 O ATOM 865 CB GLN A 56 -1.655 -2.626 9.529 1.00 0.00 C ATOM 866 CG GLN A 56 -1.943 -2.520 11.028 1.00 0.00 C ATOM 867 CD GLN A 56 -0.795 -3.109 11.850 1.00 0.00 C ATOM 868 OE1 GLN A 56 -0.916 -4.148 12.478 1.00 0.00 O ATOM 869 NE2 GLN A 56 0.323 -2.389 11.812 1.00 0.00 N ATOM 0 H GLN A 56 -2.695 -2.191 7.318 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.158 -0.557 9.550 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.406 -3.258 9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.689 -3.107 9.374 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.091 -1.475 11.300 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.869 -3.045 11.262 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.357 -1.528 11.266 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.146 -2.698 12.329 1.00 0.00 H new ATOM 878 N ALA A 57 0.393 -1.261 7.600 1.00 0.00 N ATOM 879 CA ALA A 57 1.754 -0.876 7.268 1.00 0.00 C ATOM 880 C ALA A 57 1.824 0.643 7.103 1.00 0.00 C ATOM 881 O ALA A 57 2.797 1.272 7.516 1.00 0.00 O ATOM 882 CB ALA A 57 2.203 -1.621 6.009 1.00 0.00 C ATOM 0 H ALA A 57 -0.023 -1.945 6.968 1.00 0.00 H new ATOM 0 HA ALA A 57 2.437 -1.152 8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.224 -1.332 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.163 -2.695 6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.542 -1.367 5.181 1.00 0.00 H new ATOM 888 N ILE A 58 0.780 1.189 6.498 1.00 0.00 N ATOM 889 CA ILE A 58 0.710 2.623 6.274 1.00 0.00 C ATOM 890 C ILE A 58 0.602 3.341 7.621 1.00 0.00 C ATOM 891 O ILE A 58 1.368 4.262 7.900 1.00 0.00 O ATOM 892 CB ILE A 58 -0.425 2.960 5.305 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.157 2.368 3.920 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.666 4.469 5.246 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.451 1.858 3.282 1.00 0.00 C ATOM 0 H ILE A 58 -0.025 0.664 6.156 1.00 0.00 H new ATOM 0 HA ILE A 58 1.623 2.978 5.795 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.341 2.502 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.295 3.124 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.559 1.550 4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.478 4.681 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.934 4.834 6.238 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.241 4.969 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.232 1.442 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.888 1.085 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.156 2.683 3.179 1.00 0.00 H new ATOM 907 N ASN A 59 -0.355 2.893 8.419 1.00 0.00 N ATOM 908 CA ASN A 59 -0.573 3.481 9.730 1.00 0.00 C ATOM 909 C ASN A 59 0.645 3.208 10.615 1.00 0.00 C ATOM 910 O ASN A 59 0.893 3.935 11.576 1.00 0.00 O ATOM 911 CB ASN A 59 -1.799 2.870 10.411 1.00 0.00 C ATOM 912 CG ASN A 59 -3.049 3.712 10.148 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.045 4.648 9.366 1.00 0.00 O ATOM 914 ND2 ASN A 59 -4.115 3.328 10.844 1.00 0.00 N ATOM 0 H ASN A 59 -0.989 2.129 8.183 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.731 4.551 9.598 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.956 1.856 10.044 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.625 2.797 11.484 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.999 3.826 10.740 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.049 2.535 11.482 1.00 0.00 H new ATOM 921 N GLU A 60 1.372 2.160 10.260 1.00 0.00 N ATOM 922 CA GLU A 60 2.558 1.782 11.010 1.00 0.00 C ATOM 923 C GLU A 60 3.627 2.871 10.896 1.00 0.00 C ATOM 924 O GLU A 60 4.631 2.837 11.606 1.00 0.00 O ATOM 925 CB GLU A 60 3.099 0.431 10.538 1.00 0.00 C ATOM 926 CG GLU A 60 3.942 -0.233 11.628 1.00 0.00 C ATOM 927 CD GLU A 60 5.436 -0.091 11.328 1.00 0.00 C ATOM 928 OE1 GLU A 60 5.779 0.859 10.592 1.00 0.00 O ATOM 929 OE2 GLU A 60 6.201 -0.936 11.841 1.00 0.00 O ATOM 0 H GLU A 60 1.163 1.560 9.462 1.00 0.00 H new ATOM 0 HA GLU A 60 2.282 1.678 12.059 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.270 -0.222 10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.702 0.570 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.717 0.220 12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.681 -1.289 11.702 1.00 0.00 H new ATOM 936 N LEU A 61 3.375 3.811 9.997 1.00 0.00 N ATOM 937 CA LEU A 61 4.304 4.908 9.781 1.00 0.00 C ATOM 938 C LEU A 61 3.959 6.057 10.731 1.00 0.00 C ATOM 939 O LEU A 61 4.636 6.260 11.737 1.00 0.00 O ATOM 940 CB LEU A 61 4.320 5.313 8.306 1.00 0.00 C ATOM 941 CG LEU A 61 4.379 4.165 7.296 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.598 4.694 5.877 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.441 3.138 7.695 1.00 0.00 C ATOM 0 H LEU A 61 2.541 3.836 9.410 1.00 0.00 H new ATOM 0 HA LEU A 61 5.322 4.597 10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.427 5.904 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.178 5.963 8.138 1.00 0.00 H new ATOM 0 HG LEU A 61 3.417 3.653 7.304 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.636 3.858 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.777 5.357 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.538 5.245 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.462 2.333 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.418 3.621 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.200 2.728 8.676 1.00 0.00 H new ATOM 955 N GLY A 62 2.905 6.779 10.377 1.00 0.00 N ATOM 956 CA GLY A 62 2.462 7.902 11.185 1.00 0.00 C ATOM 957 C GLY A 62 1.403 8.724 10.448 1.00 0.00 C ATOM 958 O GLY A 62 1.403 9.951 10.520 1.00 0.00 O ATOM 0 H GLY A 62 2.345 6.608 9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.054 7.538 12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.314 8.536 11.431 1.00 0.00 H new ATOM 962 N TYR A 63 0.525 8.013 9.755 1.00 0.00 N ATOM 963 CA TYR A 63 -0.537 8.661 9.005 1.00 0.00 C ATOM 964 C TYR A 63 -1.816 7.821 9.028 1.00 0.00 C ATOM 965 O TYR A 63 -1.903 6.836 9.760 1.00 0.00 O ATOM 966 CB TYR A 63 -0.035 8.763 7.563 1.00 0.00 C ATOM 967 CG TYR A 63 1.489 8.808 7.438 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.194 9.874 7.959 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.160 7.782 6.802 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.628 9.916 7.841 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.594 7.824 6.684 1.00 0.00 C ATOM 972 CZ TYR A 63 4.258 8.889 7.209 1.00 0.00 C ATOM 973 OH TYR A 63 5.613 8.929 7.097 1.00 0.00 O ATOM 0 H TYR A 63 0.528 6.995 9.697 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.771 9.634 9.436 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.411 7.911 6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.454 9.659 7.106 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.670 10.677 8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.609 6.948 6.393 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.191 10.744 8.245 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.131 7.028 6.190 1.00 0.00 H new ATOM 0 HH TYR A 63 5.926 8.130 6.624 1.00 0.00 H new ATOM 983 N GLN A 64 -2.777 8.241 8.219 1.00 0.00 N ATOM 984 CA GLN A 64 -4.047 7.539 8.137 1.00 0.00 C ATOM 985 C GLN A 64 -4.126 6.734 6.839 1.00 0.00 C ATOM 986 O GLN A 64 -3.691 7.200 5.787 1.00 0.00 O ATOM 987 CB GLN A 64 -5.220 8.515 8.250 1.00 0.00 C ATOM 988 CG GLN A 64 -6.203 8.068 9.334 1.00 0.00 C ATOM 989 CD GLN A 64 -6.129 8.989 10.554 1.00 0.00 C ATOM 990 OE1 GLN A 64 -5.187 8.962 11.328 1.00 0.00 O ATOM 991 NE2 GLN A 64 -7.174 9.802 10.681 1.00 0.00 N ATOM 0 H GLN A 64 -2.702 9.059 7.614 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.112 6.845 8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.847 9.513 8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.735 8.582 7.292 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.217 8.069 8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.980 7.044 9.633 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.929 9.773 9.996 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.220 10.455 11.463 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.684 5.538 6.956 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.826 4.663 5.804 1.00 0.00 C ATOM 1002 C ALA A 65 -6.120 3.857 5.937 1.00 0.00 C ATOM 1003 O ALA A 65 -6.331 3.176 6.940 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.591 3.767 5.688 1.00 0.00 C ATOM 0 H ALA A 65 -5.043 5.154 7.830 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.894 5.246 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.697 3.111 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.702 4.386 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.492 3.165 6.591 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.953 3.962 4.912 1.00 0.00 N ATOM 1011 CA GLU A 66 -8.220 3.251 4.902 1.00 0.00 C ATOM 1012 C GLU A 66 -8.367 2.446 3.609 1.00 0.00 C ATOM 1013 O GLU A 66 -7.878 2.858 2.559 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.392 4.218 5.083 1.00 0.00 C ATOM 1015 CG GLU A 66 -10.276 4.248 3.834 1.00 0.00 C ATOM 1016 CD GLU A 66 -11.258 5.420 3.885 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -10.780 6.567 3.750 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -12.465 5.142 4.057 1.00 0.00 O ATOM 0 H GLU A 66 -6.775 4.529 4.083 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.232 2.556 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.986 3.918 5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.014 5.219 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.652 4.331 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.827 3.311 3.751 1.00 0.00 H new ATOM 1025 N VAL A 67 -9.045 1.314 3.729 1.00 0.00 N ATOM 1026 CA VAL A 67 -9.262 0.448 2.583 1.00 0.00 C ATOM 1027 C VAL A 67 -10.508 0.913 1.827 1.00 0.00 C ATOM 1028 O VAL A 67 -11.441 1.445 2.427 1.00 0.00 O ATOM 1029 CB VAL A 67 -9.350 -1.011 3.038 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.779 -1.920 1.885 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -8.023 -1.477 3.641 1.00 0.00 C ATOM 0 H VAL A 67 -9.451 0.977 4.602 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.420 0.510 1.893 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.112 -1.075 3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.834 -2.951 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.758 -1.608 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.052 -1.850 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.112 -2.517 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.234 -1.391 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.777 -0.856 4.503 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.483 0.697 0.520 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.599 1.088 -0.325 1.00 0.00 C ATOM 1043 C ILE A 68 -12.214 -0.161 -0.961 1.00 0.00 C ATOM 1044 O ILE A 68 -13.278 -0.614 -0.543 1.00 0.00 O ATOM 1045 CB ILE A 68 -11.157 2.142 -1.342 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -9.767 2.684 -1.002 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -12.195 3.260 -1.460 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -9.819 3.591 0.228 1.00 0.00 C ATOM 0 H ILE A 68 -9.708 0.256 0.025 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.380 1.561 0.270 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.086 1.664 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.084 1.855 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.372 3.240 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.856 3.996 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.147 2.840 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.322 3.742 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.818 3.963 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.484 4.432 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.192 3.025 1.082 1.00 0.00 H new