USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 9 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot 81:sc= 0.599 USER MOD Set 2.1: A 11 GLN : amide:sc= 0.475 X(o=0.95,f=0.83) USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= 0.47 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 173:sc= 0.701 (180deg=0) USER MOD Set 3.2: A 10 GLN : amide:sc= 1.7 K(o=2.4,f=-1.2) USER MOD Single : A 12 MET CE :methyl -129:sc= -0.158 (180deg=-0.549) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 CYS SG : rot -32:sc= -0.73 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -120:sc= 0.269 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0605 X(o=-0.061,f=-0.061) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0222 USER MOD Single : A 61 THR OG1 : rot -160:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 43:sc= 0.0422 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -6.166 -5.198 -14.159 1.00 0.00 N ATOM 14 CA LEU A 7 -5.235 -5.177 -13.043 1.00 0.00 C ATOM 15 C LEU A 7 -3.779 -5.095 -13.513 1.00 0.00 C ATOM 16 O LEU A 7 -3.393 -5.662 -14.541 1.00 0.00 O ATOM 17 CB LEU A 7 -5.542 -6.361 -12.102 1.00 0.00 C ATOM 18 CG LEU A 7 -5.266 -7.770 -12.682 1.00 0.00 C ATOM 19 CD1 LEU A 7 -3.844 -8.258 -12.373 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.246 -8.783 -12.077 1.00 0.00 C ATOM 0 HA LEU A 7 -5.374 -4.266 -12.461 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.953 -6.241 -11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.591 -6.307 -11.811 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.388 -7.694 -13.762 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.699 -9.250 -12.800 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.120 -7.567 -12.806 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.702 -8.304 -11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.047 -9.772 -12.489 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.121 -8.809 -10.995 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.268 -8.489 -12.317 1.00 0.00 H new ATOM 31 N LYS A 8 -2.960 -4.419 -12.711 1.00 0.00 N ATOM 32 CA LYS A 8 -1.509 -4.305 -12.881 1.00 0.00 C ATOM 33 C LYS A 8 -0.800 -4.168 -11.529 1.00 0.00 C ATOM 34 O LYS A 8 -1.355 -3.574 -10.603 1.00 0.00 O ATOM 35 CB LYS A 8 -1.150 -3.134 -13.818 1.00 0.00 C ATOM 36 CG LYS A 8 -1.723 -1.764 -13.392 1.00 0.00 C ATOM 37 CD LYS A 8 -0.862 -0.605 -13.913 1.00 0.00 C ATOM 38 CE LYS A 8 0.409 -0.441 -13.067 1.00 0.00 C ATOM 39 NZ LYS A 8 1.425 0.389 -13.751 1.00 0.00 N ATOM 0 H LYS A 8 -3.300 -3.915 -11.892 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.157 -5.225 -13.347 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.065 -3.055 -13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.509 -3.366 -14.821 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.740 -1.661 -13.770 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.781 -1.715 -12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.590 -0.788 -14.953 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.439 0.320 -13.892 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.152 0.015 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.829 -1.423 -12.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.216 0.574 -13.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.776 -0.114 -14.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.998 1.291 -14.042 1.00 0.00 H new ATOM 49 N THR A 9 0.422 -4.705 -11.416 1.00 0.00 N ATOM 50 CA THR A 9 1.273 -4.528 -10.230 1.00 0.00 C ATOM 51 C THR A 9 2.034 -3.209 -10.301 1.00 0.00 C ATOM 52 O THR A 9 2.251 -2.660 -11.383 1.00 0.00 O ATOM 53 CB THR A 9 2.187 -5.734 -10.003 1.00 0.00 C ATOM 54 OG1 THR A 9 2.664 -5.643 -8.684 1.00 0.00 O ATOM 55 CG2 THR A 9 3.386 -5.786 -10.949 1.00 0.00 C ATOM 0 H THR A 9 0.850 -5.276 -12.145 1.00 0.00 H new ATOM 0 HA THR A 9 0.628 -4.474 -9.353 1.00 0.00 H new ATOM 0 HB THR A 9 1.606 -6.637 -10.192 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.255 -6.402 -8.497 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.987 -6.668 -10.727 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.034 -5.836 -11.980 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.993 -4.891 -10.816 1.00 0.00 H new ATOM 63 N GLN A 10 2.452 -2.706 -9.148 1.00 0.00 N ATOM 64 CA GLN A 10 3.185 -1.456 -9.001 1.00 0.00 C ATOM 65 C GLN A 10 3.980 -1.506 -7.686 1.00 0.00 C ATOM 66 O GLN A 10 3.450 -1.950 -6.663 1.00 0.00 O ATOM 67 CB GLN A 10 2.185 -0.278 -9.055 1.00 0.00 C ATOM 68 CG GLN A 10 2.805 1.117 -9.263 1.00 0.00 C ATOM 69 CD GLN A 10 3.313 1.414 -10.681 1.00 0.00 C ATOM 70 OE1 GLN A 10 3.388 0.563 -11.561 1.00 0.00 O ATOM 71 NE2 GLN A 10 3.724 2.632 -10.958 1.00 0.00 N ATOM 0 H GLN A 10 2.284 -3.174 -8.257 1.00 0.00 H new ATOM 0 HA GLN A 10 3.899 -1.311 -9.812 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.476 -0.464 -9.862 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.615 -0.267 -8.126 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.061 1.868 -8.998 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.636 1.233 -8.567 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.674 3.361 -10.247 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.093 2.848 -11.884 1.00 0.00 H new ATOM 78 N GLN A 11 5.243 -1.060 -7.711 1.00 0.00 N ATOM 79 CA GLN A 11 6.046 -0.822 -6.501 1.00 0.00 C ATOM 80 C GLN A 11 5.799 0.588 -5.945 1.00 0.00 C ATOM 81 O GLN A 11 5.380 1.495 -6.666 1.00 0.00 O ATOM 82 CB GLN A 11 7.548 -1.029 -6.774 1.00 0.00 C ATOM 83 CG GLN A 11 8.000 -2.492 -6.636 1.00 0.00 C ATOM 84 CD GLN A 11 7.529 -3.392 -7.775 1.00 0.00 C ATOM 85 OE1 GLN A 11 7.766 -3.115 -8.944 1.00 0.00 O ATOM 86 NE2 GLN A 11 6.887 -4.505 -7.487 1.00 0.00 N ATOM 0 H GLN A 11 5.741 -0.852 -8.577 1.00 0.00 H new ATOM 0 HA GLN A 11 5.731 -1.551 -5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.778 -0.679 -7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.123 -0.413 -6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.088 -2.523 -6.587 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.627 -2.890 -5.692 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.687 -4.741 -6.515 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.590 -5.131 -8.236 1.00 0.00 H new ATOM 93 N MET A 12 6.072 0.772 -4.650 1.00 0.00 N ATOM 94 CA MET A 12 5.626 1.926 -3.868 1.00 0.00 C ATOM 95 C MET A 12 6.537 2.155 -2.655 1.00 0.00 C ATOM 96 O MET A 12 6.946 1.208 -1.977 1.00 0.00 O ATOM 97 CB MET A 12 4.173 1.632 -3.468 1.00 0.00 C ATOM 98 CG MET A 12 3.529 2.627 -2.500 1.00 0.00 C ATOM 99 SD MET A 12 1.838 2.160 -2.053 1.00 0.00 S ATOM 100 CE MET A 12 0.989 2.449 -3.627 1.00 0.00 C ATOM 0 H MET A 12 6.621 0.107 -4.105 1.00 0.00 H new ATOM 0 HA MET A 12 5.679 2.850 -4.443 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.568 1.594 -4.374 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.135 0.640 -3.017 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.135 2.695 -1.597 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.521 3.618 -2.954 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.110 3.071 -3.458 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.664 2.955 -4.317 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.681 1.495 -4.055 1.00 0.00 H new ATOM 108 N GLN A 13 6.827 3.426 -2.381 1.00 0.00 N ATOM 109 CA GLN A 13 7.561 3.905 -1.213 1.00 0.00 C ATOM 110 C GLN A 13 6.550 4.239 -0.097 1.00 0.00 C ATOM 111 O GLN A 13 5.389 4.529 -0.378 1.00 0.00 O ATOM 112 CB GLN A 13 8.376 5.144 -1.655 1.00 0.00 C ATOM 113 CG GLN A 13 9.263 5.801 -0.581 1.00 0.00 C ATOM 114 CD GLN A 13 9.863 7.132 -1.037 1.00 0.00 C ATOM 115 OE1 GLN A 13 9.476 8.199 -0.572 1.00 0.00 O ATOM 116 NE2 GLN A 13 10.828 7.134 -1.929 1.00 0.00 N ATOM 0 H GLN A 13 6.542 4.186 -2.999 1.00 0.00 H new ATOM 0 HA GLN A 13 8.248 3.156 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.011 4.854 -2.492 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.680 5.895 -2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.672 5.964 0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.069 5.117 -0.315 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.159 6.254 -2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.246 8.016 -2.227 1.00 0.00 H new ATOM 123 N VAL A 14 6.986 4.247 1.163 1.00 0.00 N ATOM 124 CA VAL A 14 6.198 4.690 2.325 1.00 0.00 C ATOM 125 C VAL A 14 7.107 5.262 3.413 1.00 0.00 C ATOM 126 O VAL A 14 8.161 4.703 3.716 1.00 0.00 O ATOM 127 CB VAL A 14 5.257 3.582 2.870 1.00 0.00 C ATOM 128 CG1 VAL A 14 5.955 2.226 3.064 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.545 3.984 4.174 1.00 0.00 C ATOM 0 H VAL A 14 7.924 3.937 1.416 1.00 0.00 H new ATOM 0 HA VAL A 14 5.543 5.491 1.983 1.00 0.00 H new ATOM 0 HB VAL A 14 4.506 3.465 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.238 1.499 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.348 1.879 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.774 2.337 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.902 3.168 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.287 4.195 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.941 4.874 3.999 1.00 0.00 H new ATOM 139 N GLY A 15 6.680 6.385 3.996 1.00 0.00 N ATOM 140 CA GLY A 15 7.346 7.057 5.111 1.00 0.00 C ATOM 141 C GLY A 15 6.903 6.465 6.445 1.00 0.00 C ATOM 142 O GLY A 15 5.708 6.322 6.704 1.00 0.00 O ATOM 0 H GLY A 15 5.833 6.866 3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.427 6.960 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.118 8.123 5.088 1.00 0.00 H new ATOM 146 N GLY A 16 7.874 6.110 7.286 1.00 0.00 N ATOM 147 CA GLY A 16 7.697 5.636 8.663 1.00 0.00 C ATOM 148 C GLY A 16 7.390 4.143 8.825 1.00 0.00 C ATOM 149 O GLY A 16 7.638 3.617 9.912 1.00 0.00 O ATOM 0 H GLY A 16 8.856 6.146 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.604 5.863 9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.888 6.205 9.121 1.00 0.00 H new ATOM 153 N MET A 17 6.878 3.441 7.802 1.00 0.00 N ATOM 154 CA MET A 17 6.628 1.988 7.873 1.00 0.00 C ATOM 155 C MET A 17 7.929 1.206 7.619 1.00 0.00 C ATOM 156 O MET A 17 8.496 1.331 6.535 1.00 0.00 O ATOM 157 CB MET A 17 5.550 1.593 6.846 1.00 0.00 C ATOM 158 CG MET A 17 5.049 0.152 7.031 1.00 0.00 C ATOM 159 SD MET A 17 4.381 -0.639 5.543 1.00 0.00 S ATOM 160 CE MET A 17 5.936 -1.107 4.734 1.00 0.00 C ATOM 0 H MET A 17 6.626 3.859 6.906 1.00 0.00 H new ATOM 0 HA MET A 17 6.270 1.738 8.872 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.707 2.279 6.929 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.955 1.706 5.840 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.873 -0.455 7.405 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.277 0.150 7.800 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.719 -1.612 3.793 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.528 -0.213 4.538 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.497 -1.778 5.384 1.00 0.00 H new ATOM 219 N CYS A 22 3.554 -2.573 12.219 1.00 0.00 N ATOM 220 CA CYS A 22 2.854 -1.636 11.337 1.00 0.00 C ATOM 221 C CYS A 22 2.547 -2.239 9.958 1.00 0.00 C ATOM 222 O CYS A 22 1.406 -2.154 9.500 1.00 0.00 O ATOM 223 CB CYS A 22 3.613 -0.299 11.287 1.00 0.00 C ATOM 224 SG CYS A 22 5.178 -0.428 10.376 1.00 0.00 S ATOM 0 HA CYS A 22 1.869 -1.428 11.756 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.983 0.456 10.817 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.814 0.040 12.303 1.00 0.00 H new ATOM 0 HG CYS A 22 5.678 -1.617 10.539 1.00 0.00 H new ATOM 229 N ALA A 23 3.501 -2.960 9.358 1.00 0.00 N ATOM 230 CA ALA A 23 3.296 -3.743 8.146 1.00 0.00 C ATOM 231 C ALA A 23 2.101 -4.714 8.268 1.00 0.00 C ATOM 232 O ALA A 23 1.405 -4.948 7.285 1.00 0.00 O ATOM 233 CB ALA A 23 4.613 -4.468 7.866 1.00 0.00 C ATOM 0 H ALA A 23 4.456 -3.013 9.713 1.00 0.00 H new ATOM 0 HA ALA A 23 3.034 -3.094 7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.512 -5.071 6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.408 -3.736 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.859 -5.114 8.709 1.00 0.00 H new ATOM 239 N SER A 24 1.794 -5.218 9.467 1.00 0.00 N ATOM 240 CA SER A 24 0.664 -6.136 9.694 1.00 0.00 C ATOM 241 C SER A 24 -0.702 -5.429 9.716 1.00 0.00 C ATOM 242 O SER A 24 -1.720 -6.054 9.412 1.00 0.00 O ATOM 243 CB SER A 24 0.834 -6.891 11.019 1.00 0.00 C ATOM 244 OG SER A 24 2.026 -7.658 11.061 1.00 0.00 O ATOM 0 H SER A 24 2.321 -5.003 10.313 1.00 0.00 H new ATOM 0 HA SER A 24 0.676 -6.825 8.850 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.837 -6.176 11.842 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.022 -7.548 11.171 1.00 0.00 H new ATOM 0 HG SER A 24 2.089 -8.118 11.924 1.00 0.00 H new ATOM 249 N SER A 25 -0.743 -4.138 10.055 1.00 0.00 N ATOM 250 CA SER A 25 -1.963 -3.313 10.047 1.00 0.00 C ATOM 251 C SER A 25 -2.266 -2.755 8.647 1.00 0.00 C ATOM 252 O SER A 25 -3.426 -2.493 8.320 1.00 0.00 O ATOM 253 CB SER A 25 -1.872 -2.161 11.068 1.00 0.00 C ATOM 254 OG SER A 25 -1.567 -2.618 12.377 1.00 0.00 O ATOM 0 H SER A 25 0.086 -3.622 10.350 1.00 0.00 H new ATOM 0 HA SER A 25 -2.785 -3.968 10.337 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.107 -1.454 10.746 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.818 -1.621 11.087 1.00 0.00 H new ATOM 0 HG SER A 25 -1.518 -1.853 12.988 1.00 0.00 H new ATOM 259 N ILE A 26 -1.246 -2.623 7.783 1.00 0.00 N ATOM 260 CA ILE A 26 -1.456 -2.521 6.330 1.00 0.00 C ATOM 261 C ILE A 26 -1.918 -3.884 5.803 1.00 0.00 C ATOM 262 O ILE A 26 -3.038 -4.012 5.311 1.00 0.00 O ATOM 263 CB ILE A 26 -0.199 -1.993 5.573 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.112 -0.498 5.827 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.395 -2.135 4.046 1.00 0.00 C ATOM 266 CD1 ILE A 26 0.820 -0.181 7.144 1.00 0.00 C ATOM 0 H ILE A 26 -0.267 -2.584 8.066 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.231 -1.778 6.141 1.00 0.00 H new ATOM 0 HB ILE A 26 0.625 -2.596 5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.729 -0.130 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.824 0.059 5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.490 -1.763 3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.547 -3.185 3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.266 -1.558 3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.988 0.893 7.217 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.200 -0.509 7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.777 -0.701 7.177 1.00 0.00 H new ATOM 277 N GLU A 27 -1.059 -4.901 5.879 1.00 0.00 N ATOM 278 CA GLU A 27 -1.156 -6.072 5.009 1.00 0.00 C ATOM 279 C GLU A 27 -2.378 -6.939 5.325 1.00 0.00 C ATOM 280 O GLU A 27 -3.067 -7.371 4.396 1.00 0.00 O ATOM 281 CB GLU A 27 0.150 -6.879 5.072 1.00 0.00 C ATOM 282 CG GLU A 27 0.274 -7.864 3.904 1.00 0.00 C ATOM 283 CD GLU A 27 1.670 -8.478 3.835 1.00 0.00 C ATOM 284 OE1 GLU A 27 2.046 -9.253 4.745 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.396 -8.239 2.846 1.00 0.00 O ATOM 0 H GLU A 27 -0.283 -4.936 6.540 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.299 -5.720 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.999 -6.196 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.193 -7.426 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.468 -8.655 4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.055 -7.350 2.968 1.00 0.00 H new ATOM 290 N ARG A 28 -2.704 -7.150 6.610 1.00 0.00 N ATOM 291 CA ARG A 28 -3.842 -8.006 6.978 1.00 0.00 C ATOM 292 C ARG A 28 -5.210 -7.340 6.727 1.00 0.00 C ATOM 293 O ARG A 28 -6.225 -8.037 6.673 1.00 0.00 O ATOM 294 CB ARG A 28 -3.663 -8.539 8.413 1.00 0.00 C ATOM 295 CG ARG A 28 -4.357 -9.901 8.597 1.00 0.00 C ATOM 296 CD ARG A 28 -3.898 -10.616 9.871 1.00 0.00 C ATOM 297 NE ARG A 28 -4.422 -11.990 9.920 1.00 0.00 N ATOM 298 CZ ARG A 28 -4.042 -12.955 10.748 1.00 0.00 C ATOM 299 NH1 ARG A 28 -3.109 -12.776 11.661 1.00 0.00 N ATOM 300 NH2 ARG A 28 -4.613 -14.137 10.664 1.00 0.00 N ATOM 0 H ARG A 28 -2.203 -6.746 7.401 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.846 -8.867 6.310 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.601 -8.637 8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.073 -7.821 9.123 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.437 -9.755 8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.149 -10.532 7.733 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.809 -10.636 9.909 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.237 -10.062 10.746 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.153 -12.225 9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.650 -11.869 11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.846 -13.544 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.340 -14.304 9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.329 -14.886 11.295 1.00 0.00 H new ATOM 311 N ALA A 29 -5.244 -6.021 6.485 1.00 0.00 N ATOM 312 CA ALA A 29 -6.414 -5.299 5.971 1.00 0.00 C ATOM 313 C ALA A 29 -6.416 -5.182 4.436 1.00 0.00 C ATOM 314 O ALA A 29 -7.479 -5.212 3.821 1.00 0.00 O ATOM 315 CB ALA A 29 -6.445 -3.908 6.608 1.00 0.00 C ATOM 0 H ALA A 29 -4.440 -5.414 6.645 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.306 -5.866 6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.309 -3.357 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.515 -4.005 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.533 -3.369 6.350 1.00 0.00 H new ATOM 321 N LEU A 30 -5.245 -5.101 3.795 1.00 0.00 N ATOM 322 CA LEU A 30 -5.080 -5.004 2.336 1.00 0.00 C ATOM 323 C LEU A 30 -5.588 -6.251 1.576 1.00 0.00 C ATOM 324 O LEU A 30 -5.861 -6.171 0.379 1.00 0.00 O ATOM 325 CB LEU A 30 -3.591 -4.682 2.084 1.00 0.00 C ATOM 326 CG LEU A 30 -3.146 -4.405 0.633 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.951 -3.286 -0.038 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.663 -4.004 0.649 1.00 0.00 C ATOM 0 H LEU A 30 -4.354 -5.101 4.292 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.707 -4.209 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.331 -3.811 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.000 -5.517 2.461 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.316 -5.315 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.591 -3.139 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.006 -3.561 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.830 -2.362 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.329 -3.804 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.535 -3.108 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.071 -4.816 1.072 1.00 0.00 H new ATOM 339 N GLU A 31 -5.795 -7.378 2.265 1.00 0.00 N ATOM 340 CA GLU A 31 -6.491 -8.568 1.747 1.00 0.00 C ATOM 341 C GLU A 31 -8.025 -8.503 1.895 1.00 0.00 C ATOM 342 O GLU A 31 -8.714 -9.408 1.420 1.00 0.00 O ATOM 343 CB GLU A 31 -5.935 -9.851 2.395 1.00 0.00 C ATOM 344 CG GLU A 31 -5.931 -9.849 3.932 1.00 0.00 C ATOM 345 CD GLU A 31 -5.588 -11.228 4.498 1.00 0.00 C ATOM 346 OE1 GLU A 31 -4.594 -11.843 4.049 1.00 0.00 O ATOM 347 OE2 GLU A 31 -6.341 -11.712 5.377 1.00 0.00 O ATOM 0 H GLU A 31 -5.475 -7.494 3.227 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.292 -8.590 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.524 -10.700 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.915 -10.006 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.208 -9.117 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.909 -9.538 4.298 1.00 0.00 H new ATOM 352 N ARG A 32 -8.564 -7.462 2.546 1.00 0.00 N ATOM 353 CA ARG A 32 -10.005 -7.198 2.686 1.00 0.00 C ATOM 354 C ARG A 32 -10.476 -5.914 1.974 1.00 0.00 C ATOM 355 O ARG A 32 -11.677 -5.761 1.739 1.00 0.00 O ATOM 356 CB ARG A 32 -10.411 -7.136 4.169 1.00 0.00 C ATOM 357 CG ARG A 32 -10.091 -8.431 4.931 1.00 0.00 C ATOM 358 CD ARG A 32 -10.888 -8.489 6.236 1.00 0.00 C ATOM 359 NE ARG A 32 -10.562 -9.688 7.019 1.00 0.00 N ATOM 360 CZ ARG A 32 -11.148 -10.058 8.148 1.00 0.00 C ATOM 361 NH1 ARG A 32 -12.087 -9.340 8.726 1.00 0.00 N ATOM 362 NH2 ARG A 32 -10.788 -11.176 8.732 1.00 0.00 N ATOM 0 H ARG A 32 -7.989 -6.756 3.006 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.500 -8.036 2.195 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.896 -6.303 4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.480 -6.933 4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.331 -9.295 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.024 -8.480 5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.679 -7.599 6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.955 -8.480 6.012 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.819 -10.289 6.662 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.389 -8.462 8.305 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.512 -9.662 9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.059 -11.757 8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.237 -11.465 9.601 1.00 0.00 H new ATOM 373 N LEU A 33 -9.568 -5.003 1.598 1.00 0.00 N ATOM 374 CA LEU A 33 -9.865 -3.916 0.648 1.00 0.00 C ATOM 375 C LEU A 33 -10.312 -4.483 -0.711 1.00 0.00 C ATOM 376 O LEU A 33 -9.776 -5.491 -1.182 1.00 0.00 O ATOM 377 CB LEU A 33 -8.642 -2.988 0.487 1.00 0.00 C ATOM 378 CG LEU A 33 -8.114 -2.338 1.784 1.00 0.00 C ATOM 379 CD1 LEU A 33 -6.969 -1.372 1.459 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.189 -1.581 2.569 1.00 0.00 C ATOM 0 H LEU A 33 -8.608 -4.997 1.942 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.688 -3.325 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.832 -3.561 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.902 -2.195 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.768 -3.158 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.603 -0.918 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.158 -1.918 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.330 -0.592 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.748 -1.150 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.599 -0.784 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.986 -2.269 2.850 1.00 0.00 H new ATOM 391 N LYS A 34 -11.293 -3.836 -1.340 1.00 0.00 N ATOM 392 CA LYS A 34 -11.820 -4.220 -2.657 1.00 0.00 C ATOM 393 C LYS A 34 -10.911 -3.712 -3.798 1.00 0.00 C ATOM 394 O LYS A 34 -9.962 -2.959 -3.568 1.00 0.00 O ATOM 395 CB LYS A 34 -13.283 -3.743 -2.771 1.00 0.00 C ATOM 396 CG LYS A 34 -14.189 -4.442 -1.735 1.00 0.00 C ATOM 397 CD LYS A 34 -15.698 -4.273 -1.982 1.00 0.00 C ATOM 398 CE LYS A 34 -16.147 -2.809 -1.918 1.00 0.00 C ATOM 399 NZ LYS A 34 -17.620 -2.685 -1.816 1.00 0.00 N ATOM 0 H LYS A 34 -11.754 -3.016 -0.945 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.819 -5.305 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.327 -2.664 -2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.655 -3.944 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.953 -5.506 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.951 -4.054 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.950 -4.684 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.250 -4.851 -1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.682 -2.324 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.800 -2.284 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.882 -1.679 -1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.064 -3.125 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.950 -3.164 -0.954 1.00 0.00 H new ATOM 409 N GLY A 35 -11.117 -4.170 -5.041 1.00 0.00 N ATOM 410 CA GLY A 35 -10.363 -3.727 -6.237 1.00 0.00 C ATOM 411 C GLY A 35 -8.918 -4.244 -6.345 1.00 0.00 C ATOM 412 O GLY A 35 -8.451 -4.538 -7.445 1.00 0.00 O ATOM 0 H GLY A 35 -11.825 -4.873 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.910 -4.043 -7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.341 -2.637 -6.247 1.00 0.00 H new ATOM 416 N VAL A 36 -8.226 -4.366 -5.213 1.00 0.00 N ATOM 417 CA VAL A 36 -6.923 -5.033 -5.043 1.00 0.00 C ATOM 418 C VAL A 36 -7.051 -6.540 -5.328 1.00 0.00 C ATOM 419 O VAL A 36 -8.054 -7.161 -4.971 1.00 0.00 O ATOM 420 CB VAL A 36 -6.374 -4.786 -3.613 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.062 -5.537 -3.307 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.138 -3.284 -3.371 1.00 0.00 C ATOM 0 H VAL A 36 -8.575 -3.982 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.217 -4.610 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.142 -5.175 -2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.743 -5.313 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.225 -6.610 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.289 -5.220 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.753 -3.134 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.415 -2.908 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.079 -2.745 -3.484 1.00 0.00 H new ATOM 432 N ALA A 37 -6.032 -7.122 -5.970 1.00 0.00 N ATOM 433 CA ALA A 37 -5.964 -8.544 -6.337 1.00 0.00 C ATOM 434 C ALA A 37 -4.831 -9.327 -5.637 1.00 0.00 C ATOM 435 O ALA A 37 -5.012 -10.512 -5.338 1.00 0.00 O ATOM 436 CB ALA A 37 -5.809 -8.611 -7.864 1.00 0.00 C ATOM 0 H ALA A 37 -5.204 -6.601 -6.259 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.880 -9.028 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.755 -9.653 -8.179 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.666 -8.133 -8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.896 -8.094 -8.160 1.00 0.00 H new ATOM 442 N GLU A 38 -3.685 -8.681 -5.376 1.00 0.00 N ATOM 443 CA GLU A 38 -2.463 -9.289 -4.827 1.00 0.00 C ATOM 444 C GLU A 38 -1.469 -8.207 -4.375 1.00 0.00 C ATOM 445 O GLU A 38 -1.138 -7.321 -5.157 1.00 0.00 O ATOM 446 CB GLU A 38 -1.815 -10.221 -5.875 1.00 0.00 C ATOM 447 CG GLU A 38 -0.533 -10.903 -5.376 1.00 0.00 C ATOM 448 CD GLU A 38 0.042 -11.840 -6.435 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.438 -12.993 -6.540 1.00 0.00 O ATOM 450 OE2 GLU A 38 0.973 -11.436 -7.172 1.00 0.00 O ATOM 0 H GLU A 38 -3.580 -7.681 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.735 -9.882 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.535 -10.986 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.585 -9.644 -6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.207 -10.146 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.747 -11.465 -4.467 1.00 0.00 H new ATOM 455 N ALA A 39 -0.946 -8.277 -3.147 1.00 0.00 N ATOM 456 CA ALA A 39 -0.026 -7.271 -2.596 1.00 0.00 C ATOM 457 C ALA A 39 0.969 -7.863 -1.583 1.00 0.00 C ATOM 458 O ALA A 39 0.778 -8.986 -1.110 1.00 0.00 O ATOM 459 CB ALA A 39 -0.868 -6.160 -1.963 1.00 0.00 C ATOM 0 H ALA A 39 -1.150 -9.039 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 39 0.587 -6.873 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.210 -5.398 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.507 -5.710 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.487 -6.580 -1.170 1.00 0.00 H new ATOM 465 N SER A 40 2.022 -7.113 -1.238 1.00 0.00 N ATOM 466 CA SER A 40 3.071 -7.558 -0.305 1.00 0.00 C ATOM 467 C SER A 40 3.869 -6.395 0.321 1.00 0.00 C ATOM 468 O SER A 40 4.312 -5.488 -0.391 1.00 0.00 O ATOM 469 CB SER A 40 4.040 -8.500 -1.032 1.00 0.00 C ATOM 470 OG SER A 40 5.013 -9.024 -0.148 1.00 0.00 O ATOM 0 H SER A 40 2.174 -6.172 -1.600 1.00 0.00 H new ATOM 0 HA SER A 40 2.563 -8.072 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.482 -9.318 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.534 -7.962 -1.841 1.00 0.00 H new ATOM 0 HG SER A 40 5.614 -9.621 -0.640 1.00 0.00 H new ATOM 475 N VAL A 41 4.102 -6.448 1.640 1.00 0.00 N ATOM 476 CA VAL A 41 5.037 -5.576 2.393 1.00 0.00 C ATOM 477 C VAL A 41 6.478 -6.107 2.329 1.00 0.00 C ATOM 478 O VAL A 41 6.702 -7.319 2.371 1.00 0.00 O ATOM 479 CB VAL A 41 4.619 -5.402 3.882 1.00 0.00 C ATOM 480 CG1 VAL A 41 3.219 -4.776 3.976 1.00 0.00 C ATOM 481 CG2 VAL A 41 4.710 -6.713 4.691 1.00 0.00 C ATOM 0 H VAL A 41 3.630 -7.123 2.242 1.00 0.00 H new ATOM 0 HA VAL A 41 4.991 -4.600 1.909 1.00 0.00 H new ATOM 0 HB VAL A 41 5.337 -4.721 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.941 -4.661 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.224 -3.799 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.497 -5.423 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.406 -6.527 5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.052 -7.460 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.737 -7.079 4.676 1.00 0.00 H new ATOM 491 N THR A 42 7.453 -5.188 2.298 1.00 0.00 N ATOM 492 CA THR A 42 8.884 -5.462 2.505 1.00 0.00 C ATOM 493 C THR A 42 9.356 -4.621 3.683 1.00 0.00 C ATOM 494 O THR A 42 9.540 -3.415 3.553 1.00 0.00 O ATOM 495 CB THR A 42 9.687 -5.140 1.242 1.00 0.00 C ATOM 496 OG1 THR A 42 9.252 -5.985 0.207 1.00 0.00 O ATOM 497 CG2 THR A 42 11.184 -5.396 1.424 1.00 0.00 C ATOM 0 H THR A 42 7.262 -4.201 2.123 1.00 0.00 H new ATOM 0 HA THR A 42 9.038 -6.520 2.719 1.00 0.00 H new ATOM 0 HB THR A 42 9.531 -4.085 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.757 -5.789 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.710 -5.153 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.564 -4.772 2.233 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.347 -6.446 1.668 1.00 0.00 H new ATOM 505 N VAL A 43 9.533 -5.251 4.841 1.00 0.00 N ATOM 506 CA VAL A 43 9.765 -4.567 6.127 1.00 0.00 C ATOM 507 C VAL A 43 11.183 -3.975 6.231 1.00 0.00 C ATOM 508 O VAL A 43 11.325 -2.833 6.662 1.00 0.00 O ATOM 509 CB VAL A 43 9.474 -5.524 7.310 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.763 -4.888 8.678 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.989 -5.925 7.297 1.00 0.00 C ATOM 0 H VAL A 43 9.521 -6.268 4.922 1.00 0.00 H new ATOM 0 HA VAL A 43 9.072 -3.727 6.176 1.00 0.00 H new ATOM 0 HB VAL A 43 10.131 -6.384 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.540 -5.606 9.467 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.814 -4.603 8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.140 -4.003 8.807 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.787 -6.598 8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.370 -5.033 7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.756 -6.429 6.359 1.00 0.00 H new ATOM 521 N ALA A 44 12.228 -4.707 5.818 1.00 0.00 N ATOM 522 CA ALA A 44 13.634 -4.326 6.049 1.00 0.00 C ATOM 523 C ALA A 44 14.109 -3.035 5.343 1.00 0.00 C ATOM 524 O ALA A 44 14.998 -2.339 5.849 1.00 0.00 O ATOM 525 CB ALA A 44 14.503 -5.516 5.635 1.00 0.00 C ATOM 0 H ALA A 44 12.123 -5.586 5.311 1.00 0.00 H new ATOM 0 HA ALA A 44 13.728 -4.085 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.554 -5.271 5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.239 -6.386 6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.336 -5.739 4.581 1.00 0.00 H new ATOM 531 N THR A 45 13.522 -2.711 4.184 1.00 0.00 N ATOM 532 CA THR A 45 13.680 -1.427 3.468 1.00 0.00 C ATOM 533 C THR A 45 12.418 -0.561 3.551 1.00 0.00 C ATOM 534 O THR A 45 12.433 0.584 3.091 1.00 0.00 O ATOM 535 CB THR A 45 14.102 -1.658 2.010 1.00 0.00 C ATOM 536 OG1 THR A 45 13.310 -2.671 1.435 1.00 0.00 O ATOM 537 CG2 THR A 45 15.562 -2.099 1.914 1.00 0.00 C ATOM 0 H THR A 45 12.900 -3.356 3.697 1.00 0.00 H new ATOM 0 HA THR A 45 14.476 -0.875 3.968 1.00 0.00 H new ATOM 0 HB THR A 45 13.972 -0.713 1.482 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.885 -3.409 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.827 -2.254 0.868 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.204 -1.328 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.698 -3.030 2.464 1.00 0.00 H new ATOM 545 N GLY A 46 11.348 -1.072 4.170 1.00 0.00 N ATOM 546 CA GLY A 46 10.131 -0.342 4.523 1.00 0.00 C ATOM 547 C GLY A 46 9.357 0.137 3.306 1.00 0.00 C ATOM 548 O GLY A 46 9.176 1.340 3.141 1.00 0.00 O ATOM 0 H GLY A 46 11.308 -2.052 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.489 -0.985 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.394 0.516 5.141 1.00 0.00 H new ATOM 552 N ARG A 47 8.947 -0.785 2.429 1.00 0.00 N ATOM 553 CA ARG A 47 8.366 -0.496 1.107 1.00 0.00 C ATOM 554 C ARG A 47 7.285 -1.511 0.705 1.00 0.00 C ATOM 555 O ARG A 47 7.002 -2.451 1.451 1.00 0.00 O ATOM 556 CB ARG A 47 9.495 -0.377 0.065 1.00 0.00 C ATOM 557 CG ARG A 47 10.247 -1.690 -0.188 1.00 0.00 C ATOM 558 CD ARG A 47 11.420 -1.470 -1.147 1.00 0.00 C ATOM 559 NE ARG A 47 12.189 -2.710 -1.332 1.00 0.00 N ATOM 560 CZ ARG A 47 12.084 -3.595 -2.315 1.00 0.00 C ATOM 561 NH1 ARG A 47 11.157 -3.531 -3.247 1.00 0.00 N ATOM 562 NH2 ARG A 47 12.953 -4.577 -2.360 1.00 0.00 N ATOM 0 H ARG A 47 9.011 -1.785 2.622 1.00 0.00 H new ATOM 0 HA ARG A 47 7.846 0.461 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.072 -0.024 -0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.206 0.379 0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.614 -2.092 0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.564 -2.430 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.047 -1.122 -2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.072 -0.688 -0.757 1.00 0.00 H new ATOM 0 HE ARG A 47 12.888 -2.914 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.474 -2.774 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.122 -4.239 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.683 -4.644 -1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.898 -5.273 -3.104 1.00 0.00 H new ATOM 573 N LEU A 48 6.652 -1.297 -0.453 1.00 0.00 N ATOM 574 CA LEU A 48 5.441 -2.006 -0.884 1.00 0.00 C ATOM 575 C LEU A 48 5.460 -2.427 -2.361 1.00 0.00 C ATOM 576 O LEU A 48 6.151 -1.829 -3.197 1.00 0.00 O ATOM 577 CB LEU A 48 4.234 -1.078 -0.627 1.00 0.00 C ATOM 578 CG LEU A 48 3.620 -1.211 0.777 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.701 -0.014 1.024 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.791 -2.498 0.902 1.00 0.00 C ATOM 0 H LEU A 48 6.975 -0.609 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 48 5.377 -2.931 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.547 -0.045 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.464 -1.289 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 48 4.428 -1.245 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.258 -0.094 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.279 0.908 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.911 -0.001 0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.370 -2.564 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.984 -2.483 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.430 -3.362 0.720 1.00 0.00 H new ATOM 591 N THR A 49 4.587 -3.400 -2.652 1.00 0.00 N ATOM 592 CA THR A 49 4.126 -3.837 -3.979 1.00 0.00 C ATOM 593 C THR A 49 2.622 -4.073 -3.886 1.00 0.00 C ATOM 594 O THR A 49 2.174 -4.703 -2.928 1.00 0.00 O ATOM 595 CB THR A 49 4.818 -5.139 -4.397 1.00 0.00 C ATOM 596 OG1 THR A 49 6.196 -4.915 -4.576 1.00 0.00 O ATOM 597 CG2 THR A 49 4.295 -5.693 -5.723 1.00 0.00 C ATOM 0 H THR A 49 4.150 -3.945 -1.909 1.00 0.00 H new ATOM 0 HA THR A 49 4.364 -3.076 -4.722 1.00 0.00 H new ATOM 0 HB THR A 49 4.613 -5.853 -3.600 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.632 -5.752 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.823 -6.615 -5.966 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.228 -5.898 -5.636 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.461 -4.961 -6.514 1.00 0.00 H new ATOM 605 N VAL A 50 1.853 -3.610 -4.872 1.00 0.00 N ATOM 606 CA VAL A 50 0.382 -3.752 -4.898 1.00 0.00 C ATOM 607 C VAL A 50 -0.156 -3.949 -6.322 1.00 0.00 C ATOM 608 O VAL A 50 0.260 -3.246 -7.240 1.00 0.00 O ATOM 609 CB VAL A 50 -0.304 -2.561 -4.175 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.013 -1.192 -4.822 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.826 -2.756 -4.051 1.00 0.00 C ATOM 0 H VAL A 50 2.228 -3.121 -5.685 1.00 0.00 H new ATOM 0 HA VAL A 50 0.131 -4.660 -4.349 1.00 0.00 H new ATOM 0 HB VAL A 50 0.139 -2.554 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.525 -0.409 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.061 -1.004 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.368 -1.194 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.262 -1.898 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.263 -2.846 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.031 -3.662 -3.481 1.00 0.00 H new ATOM 621 N THR A 51 -1.086 -4.903 -6.486 1.00 0.00 N ATOM 622 CA THR A 51 -1.806 -5.227 -7.729 1.00 0.00 C ATOM 623 C THR A 51 -3.263 -4.821 -7.585 1.00 0.00 C ATOM 624 O THR A 51 -3.946 -5.335 -6.701 1.00 0.00 O ATOM 625 CB THR A 51 -1.751 -6.731 -8.063 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.440 -7.214 -7.886 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.188 -7.012 -9.504 1.00 0.00 C ATOM 0 H THR A 51 -1.372 -5.503 -5.712 1.00 0.00 H new ATOM 0 HA THR A 51 -1.320 -4.681 -8.537 1.00 0.00 H new ATOM 0 HB THR A 51 -2.440 -7.238 -7.387 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.282 -7.390 -6.935 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.135 -8.083 -9.698 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.212 -6.668 -9.647 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.528 -6.485 -10.194 1.00 0.00 H new ATOM 635 N TYR A 52 -3.751 -3.954 -8.470 1.00 0.00 N ATOM 636 CA TYR A 52 -5.129 -3.433 -8.459 1.00 0.00 C ATOM 637 C TYR A 52 -5.606 -3.001 -9.860 1.00 0.00 C ATOM 638 O TYR A 52 -4.782 -2.786 -10.750 1.00 0.00 O ATOM 639 CB TYR A 52 -5.234 -2.268 -7.455 1.00 0.00 C ATOM 640 CG TYR A 52 -4.531 -0.977 -7.862 1.00 0.00 C ATOM 641 CD1 TYR A 52 -3.184 -0.747 -7.510 1.00 0.00 C ATOM 642 CD2 TYR A 52 -5.235 0.010 -8.579 1.00 0.00 C ATOM 643 CE1 TYR A 52 -2.552 0.467 -7.850 1.00 0.00 C ATOM 644 CE2 TYR A 52 -4.600 1.209 -8.953 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.263 1.449 -8.576 1.00 0.00 C ATOM 646 OH TYR A 52 -2.681 2.633 -8.918 1.00 0.00 O ATOM 0 H TYR A 52 -3.190 -3.581 -9.236 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.790 -4.241 -8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.289 -2.049 -7.290 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.824 -2.598 -6.500 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.633 -1.507 -6.976 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.269 -0.154 -8.844 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.528 0.646 -7.557 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.138 1.947 -9.530 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.323 3.181 -9.415 1.00 0.00 H new ATOM 655 N ASP A 53 -6.923 -2.851 -10.058 1.00 0.00 N ATOM 656 CA ASP A 53 -7.532 -2.282 -11.265 1.00 0.00 C ATOM 657 C ASP A 53 -7.753 -0.760 -11.093 1.00 0.00 C ATOM 658 O ASP A 53 -8.581 -0.372 -10.253 1.00 0.00 O ATOM 659 CB ASP A 53 -8.860 -2.997 -11.554 1.00 0.00 C ATOM 660 CG ASP A 53 -9.491 -2.479 -12.847 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.165 -1.424 -12.813 1.00 0.00 O ATOM 662 OD2 ASP A 53 -9.293 -3.115 -13.903 1.00 0.00 O ATOM 0 H ASP A 53 -7.613 -3.131 -9.361 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.860 -2.429 -12.111 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.689 -4.071 -11.633 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.548 -2.844 -10.723 1.00 0.00 H new ATOM 666 N PRO A 54 -7.061 0.105 -11.872 1.00 0.00 N ATOM 667 CA PRO A 54 -7.142 1.567 -11.761 1.00 0.00 C ATOM 668 C PRO A 54 -8.492 2.205 -12.129 1.00 0.00 C ATOM 669 O PRO A 54 -8.569 3.430 -12.225 1.00 0.00 O ATOM 670 CB PRO A 54 -6.017 2.125 -12.646 1.00 0.00 C ATOM 671 CG PRO A 54 -5.046 0.961 -12.797 1.00 0.00 C ATOM 672 CD PRO A 54 -5.977 -0.242 -12.785 1.00 0.00 C ATOM 0 HA PRO A 54 -7.035 1.824 -10.707 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.397 2.454 -13.613 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.536 2.987 -12.183 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.476 1.025 -13.724 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.324 0.925 -11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.359 -0.451 -13.784 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.454 -1.138 -12.449 1.00 0.00 H new ATOM 677 N LYS A 55 -9.556 1.417 -12.329 1.00 0.00 N ATOM 678 CA LYS A 55 -10.904 1.924 -12.632 1.00 0.00 C ATOM 679 C LYS A 55 -11.947 1.447 -11.613 1.00 0.00 C ATOM 680 O LYS A 55 -12.842 2.215 -11.254 1.00 0.00 O ATOM 681 CB LYS A 55 -11.274 1.541 -14.077 1.00 0.00 C ATOM 682 CG LYS A 55 -12.581 2.160 -14.604 1.00 0.00 C ATOM 683 CD LYS A 55 -12.653 3.693 -14.522 1.00 0.00 C ATOM 684 CE LYS A 55 -11.484 4.364 -15.255 1.00 0.00 C ATOM 685 NZ LYS A 55 -11.459 5.824 -15.025 1.00 0.00 N ATOM 0 H LYS A 55 -9.507 0.399 -12.285 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.899 3.011 -12.550 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.458 1.839 -14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.354 0.456 -14.139 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.714 1.860 -15.643 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.416 1.741 -14.042 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.594 4.035 -14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.650 4.001 -13.476 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.544 3.927 -14.918 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.563 4.165 -16.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.656 6.242 -15.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.345 6.245 -15.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.358 6.013 -14.007 1.00 0.00 H new ATOM 695 N GLN A 56 -11.805 0.225 -11.085 1.00 0.00 N ATOM 696 CA GLN A 56 -12.601 -0.223 -9.936 1.00 0.00 C ATOM 697 C GLN A 56 -12.109 0.417 -8.623 1.00 0.00 C ATOM 698 O GLN A 56 -12.931 0.651 -7.737 1.00 0.00 O ATOM 699 CB GLN A 56 -12.621 -1.761 -9.831 1.00 0.00 C ATOM 700 CG GLN A 56 -13.082 -2.506 -11.099 1.00 0.00 C ATOM 701 CD GLN A 56 -14.375 -1.969 -11.718 1.00 0.00 C ATOM 702 OE1 GLN A 56 -14.350 -1.134 -12.619 1.00 0.00 O ATOM 703 NE2 GLN A 56 -15.528 -2.408 -11.264 1.00 0.00 N ATOM 0 H GLN A 56 -11.146 -0.471 -11.435 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.625 0.111 -10.102 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.619 -2.103 -9.574 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.276 -2.043 -9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.288 -2.453 -11.844 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.221 -3.559 -10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.551 -3.101 -10.516 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.400 -2.055 -11.660 1.00 0.00 H new ATOM 710 N VAL A 57 -10.814 0.749 -8.505 1.00 0.00 N ATOM 711 CA VAL A 57 -10.240 1.580 -7.420 1.00 0.00 C ATOM 712 C VAL A 57 -9.091 2.443 -7.983 1.00 0.00 C ATOM 713 O VAL A 57 -9.018 2.658 -9.190 1.00 0.00 O ATOM 714 CB VAL A 57 -9.789 0.754 -6.179 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.956 0.072 -5.448 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.713 -0.295 -6.526 1.00 0.00 C ATOM 0 H VAL A 57 -10.112 0.441 -9.178 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.033 2.232 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.354 1.489 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.574 -0.487 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.660 0.828 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.464 -0.610 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.435 -0.842 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.109 -0.991 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.834 0.206 -6.932 1.00 0.00 H new ATOM 726 N SER A 58 -8.190 2.945 -7.137 1.00 0.00 N ATOM 727 CA SER A 58 -7.008 3.733 -7.499 1.00 0.00 C ATOM 728 C SER A 58 -5.989 3.716 -6.342 1.00 0.00 C ATOM 729 O SER A 58 -6.203 3.030 -5.337 1.00 0.00 O ATOM 730 CB SER A 58 -7.434 5.172 -7.830 1.00 0.00 C ATOM 731 OG SER A 58 -7.860 5.856 -6.661 1.00 0.00 O ATOM 0 H SER A 58 -8.268 2.807 -6.129 1.00 0.00 H new ATOM 0 HA SER A 58 -6.533 3.297 -8.378 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.600 5.707 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.241 5.157 -8.562 1.00 0.00 H new ATOM 0 HG SER A 58 -8.125 6.770 -6.895 1.00 0.00 H new ATOM 736 N GLU A 59 -4.931 4.535 -6.419 1.00 0.00 N ATOM 737 CA GLU A 59 -3.995 4.778 -5.312 1.00 0.00 C ATOM 738 C GLU A 59 -4.682 5.136 -3.981 1.00 0.00 C ATOM 739 O GLU A 59 -4.161 4.816 -2.914 1.00 0.00 O ATOM 740 CB GLU A 59 -2.983 5.882 -5.692 1.00 0.00 C ATOM 741 CG GLU A 59 -3.564 7.282 -6.004 1.00 0.00 C ATOM 742 CD GLU A 59 -4.310 7.379 -7.338 1.00 0.00 C ATOM 743 OE1 GLU A 59 -4.003 6.590 -8.259 1.00 0.00 O ATOM 744 OE2 GLU A 59 -5.198 8.245 -7.493 1.00 0.00 O ATOM 0 H GLU A 59 -4.698 5.055 -7.265 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.477 3.833 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.269 5.985 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.423 5.544 -6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.244 7.566 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.750 8.007 -6.004 1.00 0.00 H new ATOM 749 N ILE A 60 -5.862 5.764 -4.024 1.00 0.00 N ATOM 750 CA ILE A 60 -6.616 6.202 -2.839 1.00 0.00 C ATOM 751 C ILE A 60 -6.896 5.057 -1.860 1.00 0.00 C ATOM 752 O ILE A 60 -6.709 5.242 -0.657 1.00 0.00 O ATOM 753 CB ILE A 60 -7.897 6.935 -3.309 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.616 8.425 -3.599 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.113 6.734 -2.392 1.00 0.00 C ATOM 756 CD1 ILE A 60 -7.283 9.301 -2.379 1.00 0.00 C ATOM 0 H ILE A 60 -6.332 5.988 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.008 6.901 -2.264 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.183 6.460 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.786 8.487 -4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.488 8.848 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.966 7.281 -2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.355 5.673 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.881 7.106 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.105 10.326 -2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.118 9.283 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.389 8.916 -1.888 1.00 0.00 H new ATOM 767 N THR A 61 -7.290 3.881 -2.364 1.00 0.00 N ATOM 768 CA THR A 61 -7.693 2.726 -1.547 1.00 0.00 C ATOM 769 C THR A 61 -6.591 2.280 -0.592 1.00 0.00 C ATOM 770 O THR A 61 -6.868 1.999 0.575 1.00 0.00 O ATOM 771 CB THR A 61 -8.184 1.619 -2.489 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.490 1.998 -2.861 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.250 0.218 -1.879 1.00 0.00 C ATOM 0 H THR A 61 -7.339 3.701 -3.367 1.00 0.00 H new ATOM 0 HA THR A 61 -8.515 3.004 -0.887 1.00 0.00 H new ATOM 0 HB THR A 61 -7.472 1.537 -3.310 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.976 1.214 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.609 -0.488 -2.628 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.256 -0.081 -1.545 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.932 0.223 -1.029 1.00 0.00 H new ATOM 781 N ILE A 62 -5.340 2.282 -1.052 1.00 0.00 N ATOM 782 CA ILE A 62 -4.156 1.990 -0.228 1.00 0.00 C ATOM 783 C ILE A 62 -3.609 3.243 0.482 1.00 0.00 C ATOM 784 O ILE A 62 -3.139 3.132 1.617 1.00 0.00 O ATOM 785 CB ILE A 62 -3.134 1.198 -1.081 1.00 0.00 C ATOM 786 CG1 ILE A 62 -1.937 0.739 -0.227 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.675 1.958 -2.339 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.115 -0.391 -0.859 1.00 0.00 C ATOM 0 H ILE A 62 -5.112 2.490 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.427 1.346 0.608 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.655 0.311 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.284 1.593 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.303 0.408 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.960 1.348 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.537 2.169 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.202 2.895 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.291 -0.656 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.752 -1.262 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.717 -0.059 -1.818 1.00 0.00 H new ATOM 799 N GLN A 63 -3.763 4.438 -0.103 1.00 0.00 N ATOM 800 CA GLN A 63 -3.378 5.706 0.523 1.00 0.00 C ATOM 801 C GLN A 63 -4.102 5.939 1.847 1.00 0.00 C ATOM 802 O GLN A 63 -3.435 6.190 2.845 1.00 0.00 O ATOM 803 CB GLN A 63 -3.613 6.889 -0.436 1.00 0.00 C ATOM 804 CG GLN A 63 -2.860 8.135 0.050 1.00 0.00 C ATOM 805 CD GLN A 63 -3.033 9.332 -0.878 1.00 0.00 C ATOM 806 OE1 GLN A 63 -2.628 9.321 -2.039 1.00 0.00 O ATOM 807 NE2 GLN A 63 -3.654 10.397 -0.423 1.00 0.00 N ATOM 0 H GLN A 63 -4.163 4.551 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.312 5.640 0.742 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.279 6.623 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.679 7.104 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.212 8.400 1.047 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.799 7.901 0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.994 10.417 0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.796 11.203 -1.031 1.00 0.00 H new ATOM 814 N GLU A 64 -5.433 5.834 1.872 1.00 0.00 N ATOM 815 CA GLU A 64 -6.244 6.113 3.065 1.00 0.00 C ATOM 816 C GLU A 64 -6.030 5.062 4.171 1.00 0.00 C ATOM 817 O GLU A 64 -6.166 5.375 5.353 1.00 0.00 O ATOM 818 CB GLU A 64 -7.726 6.239 2.666 1.00 0.00 C ATOM 819 CG GLU A 64 -7.959 7.417 1.698 1.00 0.00 C ATOM 820 CD GLU A 64 -9.437 7.670 1.396 1.00 0.00 C ATOM 821 OE1 GLU A 64 -10.195 6.703 1.133 1.00 0.00 O ATOM 822 OE2 GLU A 64 -9.853 8.854 1.433 1.00 0.00 O ATOM 0 H GLU A 64 -5.984 5.551 1.061 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.918 7.063 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.057 5.312 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.333 6.378 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.523 8.320 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.433 7.220 0.764 1.00 0.00 H new ATOM 827 N ARG A 65 -5.621 3.834 3.820 1.00 0.00 N ATOM 828 CA ARG A 65 -5.167 2.816 4.779 1.00 0.00 C ATOM 829 C ARG A 65 -3.827 3.210 5.408 1.00 0.00 C ATOM 830 O ARG A 65 -3.695 3.190 6.630 1.00 0.00 O ATOM 831 CB ARG A 65 -5.134 1.452 4.056 1.00 0.00 C ATOM 832 CG ARG A 65 -4.505 0.260 4.801 1.00 0.00 C ATOM 833 CD ARG A 65 -4.884 0.047 6.273 1.00 0.00 C ATOM 834 NE ARG A 65 -6.323 -0.129 6.533 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.807 -0.623 7.672 1.00 0.00 C ATOM 836 NH1 ARG A 65 -6.050 -1.217 8.572 1.00 0.00 N ATOM 837 NH2 ARG A 65 -8.085 -0.527 7.945 1.00 0.00 N ATOM 0 H ARG A 65 -5.596 3.516 2.851 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.860 2.738 5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.159 1.184 3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.595 1.583 3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.763 -0.648 4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.422 0.367 4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.354 -0.830 6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.529 0.901 6.850 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.983 0.141 5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.047 -1.314 8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.466 -1.580 9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.715 -0.072 7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.450 -0.907 8.818 1.00 0.00 H new ATOM 848 N ILE A 66 -2.830 3.590 4.610 1.00 0.00 N ATOM 849 CA ILE A 66 -1.492 3.963 5.118 1.00 0.00 C ATOM 850 C ILE A 66 -1.536 5.297 5.887 1.00 0.00 C ATOM 851 O ILE A 66 -0.921 5.415 6.946 1.00 0.00 O ATOM 852 CB ILE A 66 -0.495 3.930 3.933 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.328 2.463 3.466 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.887 4.509 4.286 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.311 2.325 2.086 1.00 0.00 C ATOM 0 H ILE A 66 -2.917 3.651 3.596 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.140 3.244 5.858 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.908 4.557 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.281 1.927 4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.306 1.982 3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.537 4.456 3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.778 5.549 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.326 3.933 5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.395 1.269 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.309 2.831 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.303 2.776 2.098 1.00 0.00 H new ATOM 866 N ALA A 67 -2.333 6.259 5.418 1.00 0.00 N ATOM 867 CA ALA A 67 -2.484 7.584 6.015 1.00 0.00 C ATOM 868 C ALA A 67 -3.166 7.537 7.396 1.00 0.00 C ATOM 869 O ALA A 67 -2.684 8.166 8.346 1.00 0.00 O ATOM 870 CB ALA A 67 -3.240 8.468 5.015 1.00 0.00 C ATOM 0 H ALA A 67 -2.909 6.132 4.586 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.500 8.011 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.367 9.466 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.672 8.535 4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.218 8.032 4.811 1.00 0.00 H new ATOM 876 N ALA A 68 -4.245 6.754 7.537 1.00 0.00 N ATOM 877 CA ALA A 68 -4.965 6.565 8.801 1.00 0.00 C ATOM 878 C ALA A 68 -4.140 5.820 9.866 1.00 0.00 C ATOM 879 O ALA A 68 -4.266 6.107 11.061 1.00 0.00 O ATOM 880 CB ALA A 68 -6.264 5.817 8.492 1.00 0.00 C ATOM 0 H ALA A 68 -4.647 6.226 6.762 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.172 7.544 9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.823 5.661 9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.866 6.404 7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.030 4.852 8.042 1.00 0.00 H new ATOM 886 N LEU A 69 -3.259 4.904 9.448 1.00 0.00 N ATOM 887 CA LEU A 69 -2.303 4.227 10.340 1.00 0.00 C ATOM 888 C LEU A 69 -1.163 5.133 10.851 1.00 0.00 C ATOM 889 O LEU A 69 -0.456 4.737 11.780 1.00 0.00 O ATOM 890 CB LEU A 69 -1.801 2.950 9.653 1.00 0.00 C ATOM 891 CG LEU A 69 -2.896 1.869 9.530 1.00 0.00 C ATOM 892 CD1 LEU A 69 -2.353 0.725 8.675 1.00 0.00 C ATOM 893 CD2 LEU A 69 -3.345 1.298 10.886 1.00 0.00 C ATOM 0 H LEU A 69 -3.187 4.608 8.475 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.830 3.955 11.254 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.429 3.199 8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.960 2.546 10.216 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.767 2.342 9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.114 -0.049 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.090 1.102 7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.467 0.304 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.116 0.544 10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.492 0.844 11.390 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.746 2.101 11.504 1.00 0.00 H new ATOM 904 N GLY A 70 -1.021 6.352 10.313 1.00 0.00 N ATOM 905 CA GLY A 70 -0.074 7.383 10.777 1.00 0.00 C ATOM 906 C GLY A 70 1.154 7.573 9.881 1.00 0.00 C ATOM 907 O GLY A 70 2.058 8.331 10.239 1.00 0.00 O ATOM 0 H GLY A 70 -1.579 6.661 9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.602 8.334 10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.262 7.123 11.781 1.00 0.00 H new ATOM 911 N TYR A 71 1.185 6.908 8.727 1.00 0.00 N ATOM 912 CA TYR A 71 2.276 6.894 7.740 1.00 0.00 C ATOM 913 C TYR A 71 1.889 7.702 6.480 1.00 0.00 C ATOM 914 O TYR A 71 0.815 8.311 6.466 1.00 0.00 O ATOM 915 CB TYR A 71 2.567 5.413 7.441 1.00 0.00 C ATOM 916 CG TYR A 71 2.855 4.608 8.695 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.053 4.820 9.403 1.00 0.00 C ATOM 918 CD2 TYR A 71 1.874 3.749 9.226 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.266 4.195 10.647 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.069 3.138 10.479 1.00 0.00 C ATOM 921 CZ TYR A 71 3.260 3.372 11.200 1.00 0.00 C ATOM 922 OH TYR A 71 3.419 2.835 12.441 1.00 0.00 O ATOM 0 H TYR A 71 0.401 6.326 8.433 1.00 0.00 H new ATOM 0 HA TYR A 71 3.176 7.377 8.120 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.713 4.977 6.922 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.420 5.344 6.766 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.814 5.466 8.990 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.968 3.558 8.670 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.195 4.344 11.176 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.308 2.490 10.889 1.00 0.00 H new ATOM 0 HH TYR A 71 2.632 2.296 12.668 1.00 0.00 H new ATOM 931 N THR A 72 2.714 7.713 5.420 1.00 0.00 N ATOM 932 CA THR A 72 2.341 8.285 4.102 1.00 0.00 C ATOM 933 C THR A 72 3.061 7.581 2.956 1.00 0.00 C ATOM 934 O THR A 72 4.292 7.556 2.930 1.00 0.00 O ATOM 935 CB THR A 72 2.619 9.797 3.991 1.00 0.00 C ATOM 936 OG1 THR A 72 3.890 10.108 4.512 1.00 0.00 O ATOM 937 CG2 THR A 72 1.603 10.674 4.720 1.00 0.00 C ATOM 0 H THR A 72 3.658 7.328 5.446 1.00 0.00 H new ATOM 0 HA THR A 72 1.266 8.125 4.025 1.00 0.00 H new ATOM 0 HB THR A 72 2.553 10.013 2.925 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.539 9.437 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.870 11.723 4.593 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.609 10.500 4.307 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.603 10.426 5.781 1.00 0.00 H new ATOM 945 N LEU A 73 2.313 7.040 1.986 1.00 0.00 N ATOM 946 CA LEU A 73 2.899 6.439 0.778 1.00 0.00 C ATOM 947 C LEU A 73 3.455 7.490 -0.186 1.00 0.00 C ATOM 948 O LEU A 73 2.997 8.638 -0.204 1.00 0.00 O ATOM 949 CB LEU A 73 1.909 5.465 0.097 1.00 0.00 C ATOM 950 CG LEU A 73 0.767 6.069 -0.760 1.00 0.00 C ATOM 951 CD1 LEU A 73 1.177 6.506 -2.180 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.334 5.018 -0.940 1.00 0.00 C ATOM 0 H LEU A 73 1.294 7.006 2.014 1.00 0.00 H new ATOM 0 HA LEU A 73 3.758 5.847 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.485 4.794 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.454 4.853 0.876 1.00 0.00 H new ATOM 0 HG LEU A 73 0.448 6.957 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.310 6.915 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.954 7.268 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.557 5.645 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.141 5.436 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.077 4.142 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.723 4.727 0.036 1.00 0.00 H new ATOM 963 N ALA A 74 4.352 7.057 -1.072 1.00 0.00 N ATOM 964 CA ALA A 74 4.663 7.745 -2.320 1.00 0.00 C ATOM 965 C ALA A 74 4.713 6.756 -3.502 1.00 0.00 C ATOM 966 O ALA A 74 5.412 5.738 -3.482 1.00 0.00 O ATOM 967 CB ALA A 74 5.956 8.557 -2.158 1.00 0.00 C ATOM 0 H ALA A 74 4.892 6.202 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 74 3.865 8.450 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.184 9.069 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.827 9.292 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.777 7.887 -1.902 1.00 0.00 H new ATOM 973 N GLU A 75 3.971 7.074 -4.560 1.00 0.00 N ATOM 974 CA GLU A 75 3.923 6.345 -5.829 1.00 0.00 C ATOM 975 C GLU A 75 3.808 7.412 -6.935 1.00 0.00 C ATOM 976 O GLU A 75 2.697 7.712 -7.387 1.00 0.00 O ATOM 977 CB GLU A 75 2.766 5.325 -5.787 1.00 0.00 C ATOM 978 CG GLU A 75 2.890 4.175 -6.796 1.00 0.00 C ATOM 979 CD GLU A 75 2.806 4.605 -8.259 1.00 0.00 C ATOM 980 OE1 GLU A 75 1.692 4.888 -8.766 1.00 0.00 O ATOM 981 OE2 GLU A 75 3.855 4.602 -8.939 1.00 0.00 O ATOM 0 H GLU A 75 3.356 7.887 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 75 4.814 5.749 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.706 4.905 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.829 5.851 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.841 3.667 -6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.102 3.448 -6.598 1.00 0.00 H new ATOM 986 N PRO A 76 4.920 8.089 -7.288 1.00 0.00 N ATOM 987 CA PRO A 76 4.904 9.342 -8.046 1.00 0.00 C ATOM 988 C PRO A 76 4.324 9.218 -9.458 1.00 0.00 C ATOM 989 O PRO A 76 4.736 8.313 -10.224 1.00 0.00 O ATOM 990 CB PRO A 76 6.343 9.867 -8.034 1.00 0.00 C ATOM 991 CG PRO A 76 6.975 9.194 -6.822 1.00 0.00 C ATOM 992 CD PRO A 76 6.271 7.843 -6.791 1.00 0.00 C ATOM 0 HA PRO A 76 4.223 10.050 -7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.869 9.608 -8.953 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.370 10.953 -7.946 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.054 9.087 -6.934 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.804 9.762 -5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.791 7.116 -7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.248 7.437 -5.780 1.00 0.00 H new