USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 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 60 ASN : amide:sc= 0.207 K(o=0.62,f=-0.86) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.408 K(o=0.62,f=-0.098) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.274 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.285 K(o=0.56,f=0.0039) USER MOD Set 3.1: A 7 THR OG1 : rot 123:sc= 0.878 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.859 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.628 (180deg=-0.652) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0705) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.21 (180deg=0.804) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -54:sc= 0.0256 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 1.16 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= 0.283 K(o=0.28,f=-1.4!) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 1.07 (180deg=1.07) USER MOD Single : A 40 GLN : amide:sc= 1.14 K(o=1.1,f=-0.11) USER MOD Single : A 41 ASN : amide:sc= 0.333 X(o=0.33,f=-0.054) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.032 K(o=-0.032,f=-4!) USER MOD Single : A 55 THR OG1 : rot -58:sc= 1.25 USER MOD Single : A 57 SER OG : rot 64:sc= 1.1 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.08 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -107:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.981 -4.952 -0.166 1.00 0.00 N ATOM 2 CA MET A 1 13.919 -4.124 0.420 1.00 0.00 C ATOM 3 C MET A 1 12.549 -4.745 0.196 1.00 0.00 C ATOM 4 O MET A 1 12.058 -4.764 -0.932 1.00 0.00 O ATOM 5 CB MET A 1 13.936 -2.688 -0.114 1.00 0.00 C ATOM 6 CG MET A 1 12.844 -1.863 0.582 1.00 0.00 C ATOM 7 SD MET A 1 12.865 -0.100 0.199 1.00 0.00 S ATOM 8 CE MET A 1 11.498 0.448 1.246 1.00 0.00 C ATOM 0 H1 MET A 1 15.904 -4.503 0.003 1.00 0.00 H new ATOM 0 H2 MET A 1 14.969 -5.894 0.274 1.00 0.00 H new ATOM 0 H3 MET A 1 14.823 -5.045 -1.190 1.00 0.00 H new ATOM 0 HA MET A 1 14.118 -4.082 1.491 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.913 -2.237 0.060 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.773 -2.689 -1.192 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.871 -2.269 0.306 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.947 -1.987 1.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.387 1.529 1.164 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.576 -0.037 0.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.705 0.182 2.283 1.00 0.00 H new ATOM 18 N GLN A 2 11.933 -5.286 1.246 1.00 0.00 N ATOM 19 CA GLN A 2 10.594 -5.845 1.172 1.00 0.00 C ATOM 20 C GLN A 2 9.718 -5.096 2.176 1.00 0.00 C ATOM 21 O GLN A 2 10.230 -4.424 3.071 1.00 0.00 O ATOM 22 CB GLN A 2 10.539 -7.378 1.239 1.00 0.00 C ATOM 23 CG GLN A 2 11.111 -8.044 2.491 1.00 0.00 C ATOM 24 CD GLN A 2 10.519 -9.447 2.657 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.359 -10.210 1.704 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.148 -9.830 3.868 1.00 0.00 N ATOM 0 H GLN A 2 12.354 -5.347 2.173 1.00 0.00 H new ATOM 0 HA GLN A 2 10.180 -5.681 0.177 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.497 -7.683 1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.071 -7.773 0.373 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.197 -8.105 2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.886 -7.439 3.369 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.277 -9.204 4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.733 -10.751 4.007 1.00 0.00 H new ATOM 35 N ILE A 3 8.409 -5.110 1.970 1.00 0.00 N ATOM 36 CA ILE A 3 7.416 -4.469 2.822 1.00 0.00 C ATOM 37 C ILE A 3 6.297 -5.470 3.092 1.00 0.00 C ATOM 38 O ILE A 3 6.235 -6.535 2.460 1.00 0.00 O ATOM 39 CB ILE A 3 6.882 -3.173 2.168 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.226 -3.469 0.797 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.011 -2.131 2.070 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.360 -2.329 0.265 1.00 0.00 C ATOM 0 H ILE A 3 7.992 -5.588 1.171 1.00 0.00 H new ATOM 0 HA ILE A 3 7.869 -4.175 3.769 1.00 0.00 H new ATOM 0 HB ILE A 3 6.098 -2.752 2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.009 -3.687 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.614 -4.367 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.627 -1.221 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.383 -1.902 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.823 -2.531 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.936 -2.613 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.554 -2.125 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.971 -1.434 0.143 1.00 0.00 H new ATOM 54 N PHE A 4 5.404 -5.137 4.015 1.00 0.00 N ATOM 55 CA PHE A 4 4.259 -5.939 4.387 1.00 0.00 C ATOM 56 C PHE A 4 3.014 -5.064 4.265 1.00 0.00 C ATOM 57 O PHE A 4 3.090 -3.851 4.468 1.00 0.00 O ATOM 58 CB PHE A 4 4.375 -6.451 5.830 1.00 0.00 C ATOM 59 CG PHE A 4 5.660 -7.139 6.241 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.825 -8.523 6.041 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.647 -6.413 6.935 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.969 -9.171 6.542 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.787 -7.062 7.435 1.00 0.00 C ATOM 64 CZ PHE A 4 7.950 -8.441 7.237 1.00 0.00 C ATOM 0 H PHE A 4 5.465 -4.266 4.542 1.00 0.00 H new ATOM 0 HA PHE A 4 4.203 -6.806 3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.222 -5.603 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.554 -7.146 6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.075 -9.086 5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.526 -5.350 7.084 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.094 -10.233 6.392 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.537 -6.500 7.971 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.828 -8.942 7.618 1.00 0.00 H new ATOM 74 N VAL A 5 1.859 -5.645 3.948 1.00 0.00 N ATOM 75 CA VAL A 5 0.607 -4.902 3.844 1.00 0.00 C ATOM 76 C VAL A 5 -0.512 -5.744 4.457 1.00 0.00 C ATOM 77 O VAL A 5 -0.621 -6.926 4.137 1.00 0.00 O ATOM 78 CB VAL A 5 0.293 -4.472 2.390 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.849 -3.446 2.400 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.464 -3.810 1.641 1.00 0.00 C ATOM 0 H VAL A 5 1.766 -6.642 3.756 1.00 0.00 H new ATOM 0 HA VAL A 5 0.699 -3.969 4.401 1.00 0.00 H new ATOM 0 HB VAL A 5 0.045 -5.398 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.073 -3.141 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.736 -3.894 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.550 -2.574 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.147 -3.544 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.774 -2.910 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.301 -4.506 1.587 1.00 0.00 H new ATOM 90 N LYS A 6 -1.331 -5.157 5.331 1.00 0.00 N ATOM 91 CA LYS A 6 -2.470 -5.826 5.967 1.00 0.00 C ATOM 92 C LYS A 6 -3.739 -5.459 5.185 1.00 0.00 C ATOM 93 O LYS A 6 -4.032 -4.267 5.046 1.00 0.00 O ATOM 94 CB LYS A 6 -2.589 -5.445 7.452 1.00 0.00 C ATOM 95 CG LYS A 6 -3.622 -6.321 8.189 1.00 0.00 C ATOM 96 CD LYS A 6 -3.106 -7.729 8.541 1.00 0.00 C ATOM 97 CE LYS A 6 -2.116 -7.773 9.706 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.759 -7.412 10.983 1.00 0.00 N ATOM 0 H LYS A 6 -1.220 -4.186 5.623 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.324 -6.906 5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.616 -5.549 7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.876 -4.397 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.925 -5.816 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.513 -6.416 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.959 -8.364 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.629 -8.157 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.690 -8.773 9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.291 -7.089 9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.109 -7.615 11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.993 -6.399 10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.630 -7.968 11.102 1.00 0.00 H new ATOM 112 N THR A 7 -4.422 -6.435 4.588 1.00 0.00 N ATOM 113 CA THR A 7 -5.651 -6.224 3.820 1.00 0.00 C ATOM 114 C THR A 7 -6.877 -6.164 4.748 1.00 0.00 C ATOM 115 O THR A 7 -6.803 -6.569 5.910 1.00 0.00 O ATOM 116 CB THR A 7 -5.830 -7.391 2.830 1.00 0.00 C ATOM 117 OG1 THR A 7 -5.925 -8.593 3.561 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.681 -7.515 1.823 1.00 0.00 C ATOM 0 H THR A 7 -4.133 -7.412 4.624 1.00 0.00 H new ATOM 0 HA THR A 7 -5.570 -5.277 3.287 1.00 0.00 H new ATOM 0 HB THR A 7 -6.736 -7.191 2.258 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.770 -9.041 3.346 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.871 -8.356 1.156 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.609 -6.598 1.239 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.745 -7.679 2.357 1.00 0.00 H new ATOM 126 N LEU A 8 -8.039 -5.748 4.218 1.00 0.00 N ATOM 127 CA LEU A 8 -9.298 -5.678 4.973 1.00 0.00 C ATOM 128 C LEU A 8 -9.859 -7.064 5.315 1.00 0.00 C ATOM 129 O LEU A 8 -10.901 -7.158 5.966 1.00 0.00 O ATOM 130 CB LEU A 8 -10.362 -4.824 4.263 1.00 0.00 C ATOM 131 CG LEU A 8 -11.076 -5.421 3.027 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.896 -4.302 2.374 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.174 -6.036 1.948 1.00 0.00 C ATOM 0 H LEU A 8 -8.130 -5.449 3.247 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.047 -5.184 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.126 -4.567 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.889 -3.891 3.956 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.672 -6.250 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.412 -4.693 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.628 -3.924 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.231 -3.492 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.790 -6.420 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.497 -5.274 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.594 -6.851 2.380 1.00 0.00 H new ATOM 145 N THR A 9 -9.239 -8.142 4.828 1.00 0.00 N ATOM 146 CA THR A 9 -9.651 -9.507 5.122 1.00 0.00 C ATOM 147 C THR A 9 -8.849 -10.014 6.330 1.00 0.00 C ATOM 148 O THR A 9 -9.183 -11.057 6.892 1.00 0.00 O ATOM 149 CB THR A 9 -9.441 -10.412 3.894 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.164 -10.256 3.296 1.00 0.00 O ATOM 151 CG2 THR A 9 -10.496 -10.145 2.822 1.00 0.00 C ATOM 0 H THR A 9 -8.428 -8.085 4.212 1.00 0.00 H new ATOM 0 HA THR A 9 -10.714 -9.529 5.362 1.00 0.00 H new ATOM 0 HB THR A 9 -9.526 -11.430 4.274 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.089 -10.856 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.321 -10.799 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.487 -10.340 3.231 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.434 -9.105 2.501 1.00 0.00 H new ATOM 159 N GLY A 10 -7.773 -9.323 6.713 1.00 0.00 N ATOM 160 CA GLY A 10 -6.912 -9.677 7.825 1.00 0.00 C ATOM 161 C GLY A 10 -5.680 -10.439 7.352 1.00 0.00 C ATOM 162 O GLY A 10 -4.930 -10.933 8.197 1.00 0.00 O ATOM 0 H GLY A 10 -7.474 -8.473 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.603 -8.773 8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.467 -10.286 8.538 1.00 0.00 H new ATOM 166 N LYS A 11 -5.455 -10.562 6.035 1.00 0.00 N ATOM 167 CA LYS A 11 -4.285 -11.267 5.526 1.00 0.00 C ATOM 168 C LYS A 11 -3.107 -10.310 5.595 1.00 0.00 C ATOM 169 O LYS A 11 -3.285 -9.087 5.584 1.00 0.00 O ATOM 170 CB LYS A 11 -4.510 -11.635 4.035 1.00 0.00 C ATOM 171 CG LYS A 11 -4.967 -13.073 3.782 1.00 0.00 C ATOM 172 CD LYS A 11 -3.828 -14.104 3.893 1.00 0.00 C ATOM 173 CE LYS A 11 -2.770 -13.995 2.784 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.360 -14.112 1.434 1.00 0.00 N ATOM 0 H LYS A 11 -6.068 -10.183 5.313 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.107 -12.170 6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.253 -10.956 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.581 -11.465 3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.750 -13.329 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.409 -13.136 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.339 -13.985 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.257 -15.106 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.253 -13.039 2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.022 -14.776 2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.602 -14.237 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.998 -14.933 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.896 -13.249 1.213 1.00 0.00 H new ATOM 188 N THR A 12 -1.910 -10.868 5.489 1.00 0.00 N ATOM 189 CA THR A 12 -0.665 -10.134 5.490 1.00 0.00 C ATOM 190 C THR A 12 -0.039 -10.488 4.149 1.00 0.00 C ATOM 191 O THR A 12 -0.086 -11.644 3.712 1.00 0.00 O ATOM 192 CB THR A 12 0.224 -10.516 6.687 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.488 -10.420 7.905 1.00 0.00 O ATOM 194 CG2 THR A 12 1.446 -9.592 6.782 1.00 0.00 C ATOM 0 H THR A 12 -1.781 -11.876 5.397 1.00 0.00 H new ATOM 0 HA THR A 12 -0.804 -9.059 5.603 1.00 0.00 H new ATOM 0 HB THR A 12 0.543 -11.545 6.524 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.100 -10.670 8.648 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.057 -9.884 7.636 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.036 -9.674 5.869 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.114 -8.562 6.909 1.00 0.00 H new ATOM 202 N ILE A 13 0.520 -9.494 3.480 1.00 0.00 N ATOM 203 CA ILE A 13 1.174 -9.610 2.191 1.00 0.00 C ATOM 204 C ILE A 13 2.651 -9.286 2.422 1.00 0.00 C ATOM 205 O ILE A 13 2.968 -8.576 3.375 1.00 0.00 O ATOM 206 CB ILE A 13 0.506 -8.602 1.221 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.040 -8.697 1.174 1.00 0.00 C ATOM 208 CG2 ILE A 13 1.081 -8.684 -0.201 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.611 -10.069 0.796 1.00 0.00 C ATOM 0 H ILE A 13 0.530 -8.539 3.839 1.00 0.00 H new ATOM 0 HA ILE A 13 1.086 -10.605 1.754 1.00 0.00 H new ATOM 0 HB ILE A 13 0.751 -7.627 1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.433 -8.417 2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.409 -7.961 0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.578 -7.957 -0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.149 -8.467 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.925 -9.686 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.700 -10.022 0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.258 -10.349 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.282 -10.813 1.522 1.00 0.00 H new ATOM 221 N THR A 14 3.531 -9.759 1.543 1.00 0.00 N ATOM 222 CA THR A 14 4.972 -9.557 1.522 1.00 0.00 C ATOM 223 C THR A 14 5.288 -9.226 0.058 1.00 0.00 C ATOM 224 O THR A 14 4.843 -9.943 -0.845 1.00 0.00 O ATOM 225 CB THR A 14 5.707 -10.791 2.055 1.00 0.00 C ATOM 226 OG1 THR A 14 5.427 -10.943 3.433 1.00 0.00 O ATOM 227 CG2 THR A 14 7.224 -10.648 1.921 1.00 0.00 C ATOM 0 H THR A 14 3.226 -10.342 0.763 1.00 0.00 H new ATOM 0 HA THR A 14 5.308 -8.752 2.176 1.00 0.00 H new ATOM 0 HB THR A 14 5.367 -11.647 1.472 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.637 -10.109 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.710 -11.543 2.310 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.486 -10.520 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.559 -9.779 2.487 1.00 0.00 H new ATOM 235 N LEU A 15 5.932 -8.080 -0.192 1.00 0.00 N ATOM 236 CA LEU A 15 6.294 -7.600 -1.525 1.00 0.00 C ATOM 237 C LEU A 15 7.673 -6.972 -1.536 1.00 0.00 C ATOM 238 O LEU A 15 8.073 -6.388 -0.533 1.00 0.00 O ATOM 239 CB LEU A 15 5.316 -6.504 -1.979 1.00 0.00 C ATOM 240 CG LEU A 15 3.987 -7.029 -2.533 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.059 -5.829 -2.726 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.223 -7.800 -3.838 1.00 0.00 C ATOM 0 H LEU A 15 6.223 -7.445 0.551 1.00 0.00 H new ATOM 0 HA LEU A 15 6.265 -8.467 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.109 -5.847 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.800 -5.897 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 15 3.522 -7.731 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.102 -6.169 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.901 -5.333 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.512 -5.128 -3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.271 -8.167 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.679 -7.138 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.887 -8.643 -3.648 1.00 0.00 H new ATOM 254 N GLU A 16 8.343 -7.050 -2.680 1.00 0.00 N ATOM 255 CA GLU A 16 9.659 -6.508 -2.967 1.00 0.00 C ATOM 256 C GLU A 16 9.434 -5.180 -3.689 1.00 0.00 C ATOM 257 O GLU A 16 8.744 -5.128 -4.712 1.00 0.00 O ATOM 258 CB GLU A 16 10.480 -7.508 -3.782 1.00 0.00 C ATOM 259 CG GLU A 16 11.834 -6.925 -4.211 1.00 0.00 C ATOM 260 CD GLU A 16 12.889 -8.020 -4.345 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.700 -8.978 -5.135 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.884 -7.955 -3.587 1.00 0.00 O ATOM 0 H GLU A 16 7.948 -7.530 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 16 10.239 -6.330 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.644 -8.409 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.916 -7.805 -4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.724 -6.404 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.163 -6.187 -3.480 1.00 0.00 H new ATOM 269 N VAL A 17 9.915 -4.097 -3.087 1.00 0.00 N ATOM 270 CA VAL A 17 9.804 -2.725 -3.574 1.00 0.00 C ATOM 271 C VAL A 17 11.177 -2.055 -3.442 1.00 0.00 C ATOM 272 O VAL A 17 12.174 -2.733 -3.185 1.00 0.00 O ATOM 273 CB VAL A 17 8.690 -1.998 -2.785 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.322 -2.681 -2.945 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.014 -1.910 -1.285 1.00 0.00 C ATOM 0 H VAL A 17 10.418 -4.155 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 17 9.520 -2.688 -4.626 1.00 0.00 H new ATOM 0 HB VAL A 17 8.642 -0.995 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.573 -2.134 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.040 -2.689 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.382 -3.706 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.206 -1.392 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.121 -2.915 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.945 -1.360 -1.145 1.00 0.00 H new ATOM 285 N GLU A 18 11.278 -0.748 -3.659 1.00 0.00 N ATOM 286 CA GLU A 18 12.519 0.008 -3.539 1.00 0.00 C ATOM 287 C GLU A 18 12.178 1.378 -2.933 1.00 0.00 C ATOM 288 O GLU A 18 11.018 1.800 -2.985 1.00 0.00 O ATOM 289 CB GLU A 18 13.244 0.117 -4.900 1.00 0.00 C ATOM 290 CG GLU A 18 12.414 0.814 -5.985 1.00 0.00 C ATOM 291 CD GLU A 18 13.190 1.084 -7.270 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.419 0.125 -8.045 1.00 0.00 O ATOM 293 OE2 GLU A 18 13.515 2.256 -7.544 1.00 0.00 O ATOM 0 H GLU A 18 10.481 -0.172 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 18 13.219 -0.506 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.177 0.663 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.507 -0.884 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.546 0.198 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.038 1.759 -5.592 1.00 0.00 H new ATOM 300 N PRO A 19 13.146 2.118 -2.369 1.00 0.00 N ATOM 301 CA PRO A 19 12.890 3.435 -1.793 1.00 0.00 C ATOM 302 C PRO A 19 12.367 4.443 -2.820 1.00 0.00 C ATOM 303 O PRO A 19 11.776 5.453 -2.430 1.00 0.00 O ATOM 304 CB PRO A 19 14.232 3.920 -1.240 1.00 0.00 C ATOM 305 CG PRO A 19 15.015 2.636 -1.041 1.00 0.00 C ATOM 306 CD PRO A 19 14.551 1.775 -2.210 1.00 0.00 C ATOM 0 HA PRO A 19 12.118 3.355 -1.028 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.734 4.593 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.108 4.464 -0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.091 2.810 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.791 2.170 -0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.119 1.992 -3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.681 0.713 -1.999 1.00 0.00 H new ATOM 314 N SER A 20 12.548 4.167 -4.110 1.00 0.00 N ATOM 315 CA SER A 20 12.150 5.041 -5.193 1.00 0.00 C ATOM 316 C SER A 20 11.047 4.403 -6.052 1.00 0.00 C ATOM 317 O SER A 20 10.914 4.735 -7.230 1.00 0.00 O ATOM 318 CB SER A 20 13.439 5.265 -6.008 1.00 0.00 C ATOM 319 OG SER A 20 14.562 5.585 -5.199 1.00 0.00 O ATOM 0 H SER A 20 12.988 3.305 -4.431 1.00 0.00 H new ATOM 0 HA SER A 20 11.728 5.978 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.658 4.366 -6.584 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.274 6.070 -6.724 1.00 0.00 H new ATOM 0 HG SER A 20 15.349 5.714 -5.768 1.00 0.00 H new ATOM 325 N ASP A 21 10.199 3.575 -5.434 1.00 0.00 N ATOM 326 CA ASP A 21 9.072 2.870 -6.050 1.00 0.00 C ATOM 327 C ASP A 21 7.840 3.752 -5.857 1.00 0.00 C ATOM 328 O ASP A 21 7.657 4.270 -4.744 1.00 0.00 O ATOM 329 CB ASP A 21 8.888 1.516 -5.339 1.00 0.00 C ATOM 330 CG ASP A 21 8.158 0.462 -6.160 1.00 0.00 C ATOM 331 OD1 ASP A 21 8.392 -0.741 -5.888 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.407 0.831 -7.077 1.00 0.00 O ATOM 0 H ASP A 21 10.285 3.368 -4.439 1.00 0.00 H new ATOM 0 HA ASP A 21 9.237 2.681 -7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.869 1.128 -5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.339 1.679 -4.412 1.00 0.00 H new ATOM 337 N THR A 22 7.045 4.020 -6.899 1.00 0.00 N ATOM 338 CA THR A 22 5.868 4.864 -6.736 1.00 0.00 C ATOM 339 C THR A 22 4.742 4.079 -6.073 1.00 0.00 C ATOM 340 O THR A 22 4.638 2.856 -6.203 1.00 0.00 O ATOM 341 CB THR A 22 5.377 5.410 -8.094 1.00 0.00 C ATOM 342 OG1 THR A 22 5.330 4.402 -9.092 1.00 0.00 O ATOM 343 CG2 THR A 22 6.201 6.601 -8.589 1.00 0.00 C ATOM 0 H THR A 22 7.195 3.670 -7.845 1.00 0.00 H new ATOM 0 HA THR A 22 6.151 5.705 -6.104 1.00 0.00 H new ATOM 0 HB THR A 22 4.362 5.762 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.013 4.790 -9.934 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.809 6.941 -9.547 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.140 7.412 -7.863 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.241 6.299 -8.709 1.00 0.00 H new ATOM 351 N ILE A 23 3.801 4.806 -5.463 1.00 0.00 N ATOM 352 CA ILE A 23 2.660 4.150 -4.831 1.00 0.00 C ATOM 353 C ILE A 23 1.841 3.430 -5.910 1.00 0.00 C ATOM 354 O ILE A 23 1.259 2.395 -5.617 1.00 0.00 O ATOM 355 CB ILE A 23 1.824 5.150 -4.004 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.653 5.837 -2.898 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.568 4.509 -3.383 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.353 4.901 -1.908 1.00 0.00 C ATOM 0 H ILE A 23 3.807 5.824 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 23 3.009 3.404 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 23 1.502 5.907 -4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.409 6.463 -3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.995 6.501 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.020 5.260 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.070 4.117 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.864 3.696 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.905 5.492 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.609 4.292 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.044 4.253 -2.447 1.00 0.00 H new ATOM 370 N GLU A 24 1.809 3.929 -7.151 1.00 0.00 N ATOM 371 CA GLU A 24 1.050 3.311 -8.238 1.00 0.00 C ATOM 372 C GLU A 24 1.543 1.890 -8.532 1.00 0.00 C ATOM 373 O GLU A 24 0.738 1.010 -8.849 1.00 0.00 O ATOM 374 CB GLU A 24 1.134 4.212 -9.477 1.00 0.00 C ATOM 375 CG GLU A 24 0.202 3.757 -10.607 1.00 0.00 C ATOM 376 CD GLU A 24 -0.064 4.907 -11.576 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.033 5.666 -11.347 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.723 5.097 -12.531 1.00 0.00 O ATOM 0 H GLU A 24 2.310 4.773 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 24 0.006 3.215 -7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.883 5.234 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.161 4.225 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.651 2.920 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.739 3.401 -10.189 1.00 0.00 H new ATOM 385 N ASN A 25 2.857 1.672 -8.444 1.00 0.00 N ATOM 386 CA ASN A 25 3.484 0.377 -8.674 1.00 0.00 C ATOM 387 C ASN A 25 3.185 -0.522 -7.490 1.00 0.00 C ATOM 388 O ASN A 25 2.655 -1.617 -7.655 1.00 0.00 O ATOM 389 CB ASN A 25 4.998 0.523 -8.839 1.00 0.00 C ATOM 390 CG ASN A 25 5.361 0.612 -10.300 1.00 0.00 C ATOM 391 OD1 ASN A 25 5.349 -0.398 -10.997 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.609 1.808 -10.800 1.00 0.00 N ATOM 0 H ASN A 25 3.524 2.407 -8.206 1.00 0.00 H new ATOM 0 HA ASN A 25 3.084 -0.055 -9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.343 1.416 -8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.504 -0.328 -8.383 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.799 1.915 -11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.611 2.625 -10.190 1.00 0.00 H new ATOM 399 N VAL A 26 3.487 -0.054 -6.278 1.00 0.00 N ATOM 400 CA VAL A 26 3.249 -0.807 -5.054 1.00 0.00 C ATOM 401 C VAL A 26 1.773 -1.214 -4.945 1.00 0.00 C ATOM 402 O VAL A 26 1.469 -2.337 -4.535 1.00 0.00 O ATOM 403 CB VAL A 26 3.800 -0.021 -3.849 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.579 -0.776 -2.530 1.00 0.00 C ATOM 405 CG2 VAL A 26 5.311 0.202 -4.037 1.00 0.00 C ATOM 0 H VAL A 26 3.905 0.863 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 26 3.795 -1.751 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 26 3.268 0.929 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.981 -0.190 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.512 -0.935 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.087 -1.739 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.705 0.758 -3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.815 -0.762 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.484 0.768 -4.952 1.00 0.00 H new ATOM 415 N LYS A 27 0.844 -0.346 -5.353 1.00 0.00 N ATOM 416 CA LYS A 27 -0.581 -0.639 -5.297 1.00 0.00 C ATOM 417 C LYS A 27 -0.985 -1.617 -6.411 1.00 0.00 C ATOM 418 O LYS A 27 -2.064 -2.193 -6.313 1.00 0.00 O ATOM 419 CB LYS A 27 -1.377 0.672 -5.311 1.00 0.00 C ATOM 420 CG LYS A 27 -2.688 0.572 -4.519 1.00 0.00 C ATOM 421 CD LYS A 27 -3.439 1.906 -4.528 1.00 0.00 C ATOM 422 CE LYS A 27 -4.018 2.163 -5.919 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.538 3.533 -6.059 1.00 0.00 N ATOM 0 H LYS A 27 1.063 0.576 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.819 -1.146 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.764 1.470 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.599 0.947 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.318 -0.207 -4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.474 0.278 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.239 1.889 -3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.765 2.716 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.247 1.990 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.819 1.450 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.921 3.663 -7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.292 3.691 -5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.769 4.214 -5.898 1.00 0.00 H new ATOM 437 N ALA A 28 -0.171 -1.822 -7.453 1.00 0.00 N ATOM 438 CA ALA A 28 -0.455 -2.777 -8.524 1.00 0.00 C ATOM 439 C ALA A 28 -0.011 -4.154 -8.023 1.00 0.00 C ATOM 440 O ALA A 28 -0.765 -5.117 -8.097 1.00 0.00 O ATOM 441 CB ALA A 28 0.288 -2.414 -9.817 1.00 0.00 C ATOM 0 H ALA A 28 0.711 -1.324 -7.575 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.519 -2.766 -8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.052 -3.146 -10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.022 -1.423 -10.149 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.362 -2.415 -9.632 1.00 0.00 H new ATOM 447 N LYS A 29 1.183 -4.234 -7.421 1.00 0.00 N ATOM 448 CA LYS A 29 1.767 -5.462 -6.874 1.00 0.00 C ATOM 449 C LYS A 29 0.794 -6.199 -5.940 1.00 0.00 C ATOM 450 O LYS A 29 0.744 -7.430 -5.934 1.00 0.00 O ATOM 451 CB LYS A 29 3.068 -5.123 -6.133 1.00 0.00 C ATOM 452 CG LYS A 29 4.234 -4.603 -6.989 1.00 0.00 C ATOM 453 CD LYS A 29 5.400 -4.178 -6.075 1.00 0.00 C ATOM 454 CE LYS A 29 6.534 -3.463 -6.825 1.00 0.00 C ATOM 455 NZ LYS A 29 7.633 -4.374 -7.202 1.00 0.00 N ATOM 0 H LYS A 29 1.786 -3.420 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 29 1.980 -6.134 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.842 -4.374 -5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.404 -6.017 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.565 -5.379 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.906 -3.757 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.019 -3.519 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.803 -5.061 -5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.131 -2.995 -7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.930 -2.663 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.312 -3.868 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.116 -4.710 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.247 -5.187 -7.722 1.00 0.00 H new ATOM 469 N ILE A 30 0.045 -5.477 -5.104 1.00 0.00 N ATOM 470 CA ILE A 30 -0.930 -6.045 -4.174 1.00 0.00 C ATOM 471 C ILE A 30 -2.078 -6.725 -4.929 1.00 0.00 C ATOM 472 O ILE A 30 -2.638 -7.691 -4.406 1.00 0.00 O ATOM 473 CB ILE A 30 -1.415 -5.038 -3.107 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.046 -3.796 -3.748 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.257 -4.660 -2.165 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.702 -2.826 -2.765 1.00 0.00 C ATOM 0 H ILE A 30 0.101 -4.460 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.416 -6.820 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.194 -5.519 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.276 -3.261 -4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.795 -4.119 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.612 -3.950 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.114 -5.556 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.548 -4.206 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.119 -1.981 -3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.499 -3.338 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.956 -2.467 -2.056 1.00 0.00 H new ATOM 488 N GLN A 31 -2.398 -6.302 -6.154 1.00 0.00 N ATOM 489 CA GLN A 31 -3.465 -6.903 -6.943 1.00 0.00 C ATOM 490 C GLN A 31 -2.975 -8.233 -7.520 1.00 0.00 C ATOM 491 O GLN A 31 -3.776 -9.109 -7.838 1.00 0.00 O ATOM 492 CB GLN A 31 -3.891 -5.991 -8.102 1.00 0.00 C ATOM 493 CG GLN A 31 -4.073 -4.521 -7.710 1.00 0.00 C ATOM 494 CD GLN A 31 -4.712 -3.747 -8.853 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.037 -3.120 -9.668 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.020 -3.819 -8.981 1.00 0.00 N ATOM 0 H GLN A 31 -1.921 -5.532 -6.623 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.324 -7.055 -6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.144 -6.055 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.828 -6.363 -8.517 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.697 -4.449 -6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.107 -4.082 -7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.571 -4.341 -8.300 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.483 -3.352 -9.761 1.00 0.00 H new ATOM 505 N ASP A 32 -1.656 -8.417 -7.649 1.00 0.00 N ATOM 506 CA ASP A 32 -1.113 -9.668 -8.165 1.00 0.00 C ATOM 507 C ASP A 32 -1.253 -10.741 -7.083 1.00 0.00 C ATOM 508 O ASP A 32 -1.696 -11.845 -7.411 1.00 0.00 O ATOM 509 CB ASP A 32 0.350 -9.494 -8.617 1.00 0.00 C ATOM 510 CG ASP A 32 1.246 -10.697 -8.291 1.00 0.00 C ATOM 511 OD1 ASP A 32 1.008 -11.810 -8.815 1.00 0.00 O ATOM 512 OD2 ASP A 32 2.219 -10.512 -7.526 1.00 0.00 O ATOM 0 H ASP A 32 -0.954 -7.719 -7.404 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.671 -9.978 -9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.370 -9.319 -9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.764 -8.605 -8.142 1.00 0.00 H new ATOM 517 N LYS A 33 -1.010 -10.419 -5.793 1.00 0.00 N ATOM 518 CA LYS A 33 -1.140 -11.470 -4.764 1.00 0.00 C ATOM 519 C LYS A 33 -2.522 -11.546 -4.115 1.00 0.00 C ATOM 520 O LYS A 33 -2.781 -12.547 -3.449 1.00 0.00 O ATOM 521 CB LYS A 33 0.007 -11.537 -3.735 1.00 0.00 C ATOM 522 CG LYS A 33 1.419 -11.625 -4.355 1.00 0.00 C ATOM 523 CD LYS A 33 2.484 -11.877 -3.273 1.00 0.00 C ATOM 524 CE LYS A 33 3.913 -11.829 -3.830 1.00 0.00 C ATOM 525 NZ LYS A 33 4.933 -12.052 -2.781 1.00 0.00 N ATOM 0 H LYS A 33 -0.739 -9.496 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.033 -12.384 -5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.042 -10.654 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.149 -12.403 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.447 -12.428 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.646 -10.699 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.380 -11.131 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.309 -12.851 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.023 -12.585 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.085 -10.861 -4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.879 -12.061 -3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.881 -11.287 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.757 -12.964 -2.314 1.00 0.00 H new ATOM 539 N GLU A 34 -3.409 -10.560 -4.232 1.00 0.00 N ATOM 540 CA GLU A 34 -4.749 -10.630 -3.641 1.00 0.00 C ATOM 541 C GLU A 34 -5.711 -10.009 -4.658 1.00 0.00 C ATOM 542 O GLU A 34 -5.318 -9.115 -5.405 1.00 0.00 O ATOM 543 CB GLU A 34 -4.764 -9.922 -2.270 1.00 0.00 C ATOM 544 CG GLU A 34 -5.810 -10.486 -1.294 1.00 0.00 C ATOM 545 CD GLU A 34 -5.413 -11.873 -0.768 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.603 -11.975 0.187 1.00 0.00 O ATOM 547 OE2 GLU A 34 -5.843 -12.888 -1.353 1.00 0.00 O ATOM 0 H GLU A 34 -3.223 -9.693 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.059 -11.655 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.776 -10.005 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.957 -8.860 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.931 -9.800 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.776 -10.550 -1.795 1.00 0.00 H new ATOM 554 N GLY A 35 -6.973 -10.439 -4.693 1.00 0.00 N ATOM 555 CA GLY A 35 -7.945 -9.919 -5.649 1.00 0.00 C ATOM 556 C GLY A 35 -8.573 -8.625 -5.166 1.00 0.00 C ATOM 557 O GLY A 35 -9.637 -8.673 -4.543 1.00 0.00 O ATOM 0 H GLY A 35 -7.345 -11.151 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.456 -9.750 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.725 -10.662 -5.815 1.00 0.00 H new ATOM 561 N ILE A 36 -7.943 -7.483 -5.454 1.00 0.00 N ATOM 562 CA ILE A 36 -8.417 -6.159 -5.057 1.00 0.00 C ATOM 563 C ILE A 36 -8.264 -5.134 -6.208 1.00 0.00 C ATOM 564 O ILE A 36 -7.138 -4.763 -6.539 1.00 0.00 O ATOM 565 CB ILE A 36 -7.727 -5.711 -3.743 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.191 -5.924 -3.725 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.383 -6.447 -2.556 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.507 -5.370 -2.473 1.00 0.00 C ATOM 0 H ILE A 36 -7.070 -7.455 -5.981 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.486 -6.214 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.870 -4.633 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.980 -6.991 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.757 -5.450 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.904 -6.138 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.444 -6.201 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.265 -7.523 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.435 -5.556 -2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.686 -4.297 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.913 -5.862 -1.589 1.00 0.00 H new ATOM 580 N PRO A 37 -9.353 -4.680 -6.861 1.00 0.00 N ATOM 581 CA PRO A 37 -9.328 -3.690 -7.939 1.00 0.00 C ATOM 582 C PRO A 37 -8.956 -2.301 -7.394 1.00 0.00 C ATOM 583 O PRO A 37 -8.930 -2.111 -6.171 1.00 0.00 O ATOM 584 CB PRO A 37 -10.764 -3.628 -8.489 1.00 0.00 C ATOM 585 CG PRO A 37 -11.477 -4.836 -7.901 1.00 0.00 C ATOM 586 CD PRO A 37 -10.729 -5.041 -6.592 1.00 0.00 C ATOM 0 HA PRO A 37 -8.596 -3.966 -8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.257 -2.701 -8.196 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.769 -3.661 -9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.538 -4.644 -7.739 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.407 -5.708 -8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.148 -4.419 -5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.803 -6.076 -6.258 1.00 0.00 H new ATOM 594 N PRO A 38 -8.683 -1.291 -8.246 1.00 0.00 N ATOM 595 CA PRO A 38 -8.378 0.052 -7.758 1.00 0.00 C ATOM 596 C PRO A 38 -9.719 0.766 -7.467 1.00 0.00 C ATOM 597 O PRO A 38 -9.982 1.894 -7.891 1.00 0.00 O ATOM 598 CB PRO A 38 -7.611 0.685 -8.921 1.00 0.00 C ATOM 599 CG PRO A 38 -8.347 0.112 -10.130 1.00 0.00 C ATOM 600 CD PRO A 38 -8.646 -1.326 -9.700 1.00 0.00 C ATOM 0 HA PRO A 38 -7.795 0.097 -6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.654 1.774 -8.895 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.557 0.407 -8.915 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.260 0.667 -10.347 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.733 0.145 -11.030 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.596 -1.670 -10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.878 -2.012 -10.058 1.00 0.00 H new ATOM 608 N ASP A 39 -10.550 0.136 -6.643 1.00 0.00 N ATOM 609 CA ASP A 39 -11.871 0.557 -6.216 1.00 0.00 C ATOM 610 C ASP A 39 -12.056 -0.031 -4.828 1.00 0.00 C ATOM 611 O ASP A 39 -11.704 -1.188 -4.579 1.00 0.00 O ATOM 612 CB ASP A 39 -12.954 0.081 -7.185 1.00 0.00 C ATOM 613 CG ASP A 39 -14.340 0.524 -6.725 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.462 1.560 -6.035 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.325 -0.180 -7.033 1.00 0.00 O ATOM 0 H ASP A 39 -10.290 -0.757 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.960 1.643 -6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.755 0.477 -8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.924 -1.006 -7.263 1.00 0.00 H new ATOM 620 N GLN A 40 -12.582 0.793 -3.930 1.00 0.00 N ATOM 621 CA GLN A 40 -12.813 0.547 -2.515 1.00 0.00 C ATOM 622 C GLN A 40 -11.470 0.074 -1.938 1.00 0.00 C ATOM 623 O GLN A 40 -11.413 -0.881 -1.168 1.00 0.00 O ATOM 624 CB GLN A 40 -13.922 -0.515 -2.312 1.00 0.00 C ATOM 625 CG GLN A 40 -15.218 -0.328 -3.111 1.00 0.00 C ATOM 626 CD GLN A 40 -15.906 0.998 -2.820 1.00 0.00 C ATOM 627 OE1 GLN A 40 -16.497 1.195 -1.765 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.896 1.943 -3.749 1.00 0.00 N ATOM 0 H GLN A 40 -12.883 1.730 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.159 1.447 -2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.507 -1.491 -2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.177 -0.540 -1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.995 -0.390 -4.176 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.902 -1.145 -2.881 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.406 1.787 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.378 2.826 -3.583 1.00 0.00 H new ATOM 637 N ASN A 41 -10.383 0.781 -2.278 1.00 0.00 N ATOM 638 CA ASN A 41 -9.038 0.482 -1.820 1.00 0.00 C ATOM 639 C ASN A 41 -8.130 1.716 -1.867 1.00 0.00 C ATOM 640 O ASN A 41 -8.128 2.437 -2.869 1.00 0.00 O ATOM 641 CB ASN A 41 -8.417 -0.658 -2.654 1.00 0.00 C ATOM 642 CG ASN A 41 -8.808 -2.056 -2.179 1.00 0.00 C ATOM 643 OD1 ASN A 41 -8.239 -2.565 -1.209 1.00 0.00 O ATOM 644 ND2 ASN A 41 -9.768 -2.694 -2.827 1.00 0.00 N ATOM 0 H ASN A 41 -10.426 1.593 -2.894 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.118 0.163 -0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.720 -0.540 -3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.331 -0.566 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.053 -3.627 -2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.224 -2.253 -3.626 1.00 0.00 H new ATOM 651 N ARG A 42 -7.329 1.962 -0.830 1.00 0.00 N ATOM 652 CA ARG A 42 -6.371 3.062 -0.694 1.00 0.00 C ATOM 653 C ARG A 42 -5.311 2.577 0.290 1.00 0.00 C ATOM 654 O ARG A 42 -5.647 2.014 1.333 1.00 0.00 O ATOM 655 CB ARG A 42 -7.059 4.352 -0.221 1.00 0.00 C ATOM 656 CG ARG A 42 -6.073 5.528 -0.110 1.00 0.00 C ATOM 657 CD ARG A 42 -6.791 6.842 0.225 1.00 0.00 C ATOM 658 NE ARG A 42 -7.556 7.377 -0.917 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.115 8.231 -1.847 1.00 0.00 C ATOM 660 NH1 ARG A 42 -5.828 8.558 -1.905 1.00 0.00 N ATOM 661 NH2 ARG A 42 -7.972 8.765 -2.711 1.00 0.00 N ATOM 0 H ARG A 42 -7.332 1.359 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.918 3.317 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.856 4.613 -0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.526 4.179 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.333 5.311 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.532 5.639 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.466 6.679 1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.057 7.582 0.544 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.522 7.063 -1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.169 8.157 -1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.499 9.210 -2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.962 8.523 -2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.640 9.417 -3.422 1.00 0.00 H new ATOM 675 N LEU A 43 -4.037 2.821 -0.014 1.00 0.00 N ATOM 676 CA LEU A 43 -2.912 2.391 0.811 1.00 0.00 C ATOM 677 C LEU A 43 -2.614 3.460 1.865 1.00 0.00 C ATOM 678 O LEU A 43 -2.619 4.652 1.562 1.00 0.00 O ATOM 679 CB LEU A 43 -1.725 2.149 -0.136 1.00 0.00 C ATOM 680 CG LEU A 43 -0.521 1.429 0.494 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.816 -0.029 0.864 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.631 1.446 -0.516 1.00 0.00 C ATOM 0 H LEU A 43 -3.755 3.330 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.128 1.471 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.073 1.564 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.390 3.110 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.272 1.955 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.074 -0.480 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.634 -0.063 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.098 -0.582 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.497 0.940 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.324 0.933 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.893 2.477 -0.751 1.00 0.00 H new ATOM 694 N ILE A 44 -2.350 3.046 3.107 1.00 0.00 N ATOM 695 CA ILE A 44 -2.070 3.911 4.252 1.00 0.00 C ATOM 696 C ILE A 44 -0.866 3.341 5.021 1.00 0.00 C ATOM 697 O ILE A 44 -0.714 2.121 5.096 1.00 0.00 O ATOM 698 CB ILE A 44 -3.316 3.933 5.189 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.709 3.991 4.516 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.236 5.040 6.258 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.088 5.308 3.826 1.00 0.00 C ATOM 0 H ILE A 44 -2.325 2.056 3.351 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.848 4.923 3.913 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.251 2.945 5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.763 3.192 3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.462 3.775 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.129 5.009 6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.354 4.883 6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.168 6.012 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.085 5.219 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.079 6.117 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.369 5.525 3.036 1.00 0.00 H new ATOM 713 N PHE A 45 -0.044 4.179 5.657 1.00 0.00 N ATOM 714 CA PHE A 45 1.111 3.750 6.451 1.00 0.00 C ATOM 715 C PHE A 45 1.137 4.610 7.706 1.00 0.00 C ATOM 716 O PHE A 45 1.200 5.825 7.577 1.00 0.00 O ATOM 717 CB PHE A 45 2.427 3.897 5.677 1.00 0.00 C ATOM 718 CG PHE A 45 3.651 3.508 6.497 1.00 0.00 C ATOM 719 CD1 PHE A 45 3.732 2.244 7.118 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.699 4.431 6.683 1.00 0.00 C ATOM 721 CE1 PHE A 45 4.847 1.904 7.903 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.825 4.082 7.449 1.00 0.00 C ATOM 723 CZ PHE A 45 5.901 2.820 8.061 1.00 0.00 C ATOM 0 H PHE A 45 -0.164 5.192 5.635 1.00 0.00 H new ATOM 0 HA PHE A 45 1.014 2.692 6.697 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.386 3.277 4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.533 4.930 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.931 1.532 6.989 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.637 5.412 6.235 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.894 0.939 8.385 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.635 4.787 7.567 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.766 2.555 8.651 1.00 0.00 H new ATOM 733 N ALA A 46 1.070 4.020 8.907 1.00 0.00 N ATOM 734 CA ALA A 46 1.071 4.758 10.179 1.00 0.00 C ATOM 735 C ALA A 46 -0.004 5.862 10.188 1.00 0.00 C ATOM 736 O ALA A 46 0.194 6.935 10.750 1.00 0.00 O ATOM 737 CB ALA A 46 2.481 5.300 10.473 1.00 0.00 C ATOM 0 H ALA A 46 1.013 3.008 9.025 1.00 0.00 H new ATOM 0 HA ALA A 46 0.808 4.074 10.986 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.472 5.845 11.417 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.183 4.469 10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.788 5.970 9.670 1.00 0.00 H new ATOM 743 N GLY A 47 -1.137 5.626 9.524 1.00 0.00 N ATOM 744 CA GLY A 47 -2.232 6.584 9.428 1.00 0.00 C ATOM 745 C GLY A 47 -2.016 7.637 8.337 1.00 0.00 C ATOM 746 O GLY A 47 -2.929 8.413 8.055 1.00 0.00 O ATOM 0 H GLY A 47 -1.319 4.751 9.032 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.160 6.048 9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.354 7.085 10.389 1.00 0.00 H new ATOM 750 N LYS A 48 -0.843 7.702 7.702 1.00 0.00 N ATOM 751 CA LYS A 48 -0.547 8.652 6.639 1.00 0.00 C ATOM 752 C LYS A 48 -1.213 8.068 5.401 1.00 0.00 C ATOM 753 O LYS A 48 -0.908 6.935 5.021 1.00 0.00 O ATOM 754 CB LYS A 48 0.980 8.743 6.442 1.00 0.00 C ATOM 755 CG LYS A 48 1.427 9.915 5.552 1.00 0.00 C ATOM 756 CD LYS A 48 1.978 11.092 6.367 1.00 0.00 C ATOM 757 CE LYS A 48 0.899 11.727 7.257 1.00 0.00 C ATOM 758 NZ LYS A 48 1.350 12.982 7.896 1.00 0.00 N ATOM 0 H LYS A 48 -0.062 7.083 7.920 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.907 9.658 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.457 8.839 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.336 7.811 6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.192 9.569 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.582 10.255 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.805 10.748 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.380 11.846 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.012 11.929 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.607 11.016 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.584 13.367 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.180 12.789 8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.604 13.674 7.162 1.00 0.00 H new ATOM 772 N GLN A 49 -2.173 8.786 4.825 1.00 0.00 N ATOM 773 CA GLN A 49 -2.877 8.332 3.638 1.00 0.00 C ATOM 774 C GLN A 49 -1.909 8.518 2.478 1.00 0.00 C ATOM 775 O GLN A 49 -1.307 9.590 2.366 1.00 0.00 O ATOM 776 CB GLN A 49 -4.182 9.113 3.406 1.00 0.00 C ATOM 777 CG GLN A 49 -5.087 9.265 4.646 1.00 0.00 C ATOM 778 CD GLN A 49 -4.676 10.404 5.586 1.00 0.00 C ATOM 779 OE1 GLN A 49 -3.728 11.144 5.335 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.365 10.560 6.701 1.00 0.00 N ATOM 0 H GLN A 49 -2.481 9.695 5.169 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.178 7.290 3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.931 10.107 3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.750 8.614 2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.112 9.433 4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.081 8.328 5.204 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.151 9.943 6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.111 11.297 7.358 1.00 0.00 H new ATOM 789 N LEU A 50 -1.776 7.497 1.633 1.00 0.00 N ATOM 790 CA LEU A 50 -0.878 7.484 0.491 1.00 0.00 C ATOM 791 C LEU A 50 -1.685 7.436 -0.801 1.00 0.00 C ATOM 792 O LEU A 50 -2.856 7.042 -0.817 1.00 0.00 O ATOM 793 CB LEU A 50 0.078 6.271 0.541 1.00 0.00 C ATOM 794 CG LEU A 50 0.673 5.897 1.914 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.568 4.665 1.760 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.500 7.015 2.546 1.00 0.00 C ATOM 0 H LEU A 50 -2.308 6.633 1.731 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.281 8.395 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.458 5.403 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.904 6.464 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.173 5.703 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.990 4.398 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.977 3.832 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.375 4.886 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.887 6.682 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.332 7.268 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.872 7.894 2.692 1.00 0.00 H new ATOM 808 N GLU A 51 -1.066 7.919 -1.872 1.00 0.00 N ATOM 809 CA GLU A 51 -1.611 7.951 -3.216 1.00 0.00 C ATOM 810 C GLU A 51 -0.444 8.032 -4.202 1.00 0.00 C ATOM 811 O GLU A 51 0.707 8.233 -3.793 1.00 0.00 O ATOM 812 CB GLU A 51 -2.556 9.150 -3.368 1.00 0.00 C ATOM 813 CG GLU A 51 -1.849 10.509 -3.272 1.00 0.00 C ATOM 814 CD GLU A 51 -2.835 11.631 -2.985 1.00 0.00 C ATOM 815 OE1 GLU A 51 -2.642 12.345 -1.970 1.00 0.00 O ATOM 816 OE2 GLU A 51 -3.800 11.814 -3.759 1.00 0.00 O ATOM 0 H GLU A 51 -0.128 8.316 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.190 7.050 -3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.063 9.082 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.325 9.095 -2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.097 10.474 -2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.324 10.714 -4.205 1.00 0.00 H new ATOM 823 N ASP A 52 -0.764 7.960 -5.491 1.00 0.00 N ATOM 824 CA ASP A 52 0.178 8.001 -6.595 1.00 0.00 C ATOM 825 C ASP A 52 0.738 9.398 -6.826 1.00 0.00 C ATOM 826 O ASP A 52 0.192 10.415 -6.395 1.00 0.00 O ATOM 827 CB ASP A 52 -0.432 7.409 -7.872 1.00 0.00 C ATOM 828 CG ASP A 52 -1.603 8.197 -8.454 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.761 7.858 -8.100 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.390 9.038 -9.354 1.00 0.00 O ATOM 0 H ASP A 52 -1.731 7.867 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 52 1.024 7.373 -6.316 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.349 7.335 -8.629 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.767 6.394 -7.660 1.00 0.00 H new ATOM 835 N GLY A 53 1.878 9.412 -7.509 1.00 0.00 N ATOM 836 CA GLY A 53 2.660 10.583 -7.857 1.00 0.00 C ATOM 837 C GLY A 53 3.908 10.640 -6.984 1.00 0.00 C ATOM 838 O GLY A 53 4.911 11.210 -7.399 1.00 0.00 O ATOM 0 H GLY A 53 2.303 8.551 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.941 10.546 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.065 11.485 -7.718 1.00 0.00 H new ATOM 842 N ARG A 54 3.857 10.074 -5.774 1.00 0.00 N ATOM 843 CA ARG A 54 4.985 10.033 -4.842 1.00 0.00 C ATOM 844 C ARG A 54 5.559 8.626 -4.754 1.00 0.00 C ATOM 845 O ARG A 54 4.926 7.664 -5.206 1.00 0.00 O ATOM 846 CB ARG A 54 4.556 10.558 -3.474 1.00 0.00 C ATOM 847 CG ARG A 54 4.451 12.081 -3.456 1.00 0.00 C ATOM 848 CD ARG A 54 4.182 12.528 -2.020 1.00 0.00 C ATOM 849 NE ARG A 54 3.364 13.743 -1.965 1.00 0.00 N ATOM 850 CZ ARG A 54 2.983 14.333 -0.830 1.00 0.00 C ATOM 851 NH1 ARG A 54 3.478 13.918 0.334 1.00 0.00 N ATOM 852 NH2 ARG A 54 2.087 15.307 -0.864 1.00 0.00 N ATOM 0 H ARG A 54 3.017 9.625 -5.410 1.00 0.00 H new ATOM 0 HA ARG A 54 5.777 10.682 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.593 10.125 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.273 10.235 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.373 12.529 -3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.648 12.414 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.677 11.727 -1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.130 12.706 -1.513 1.00 0.00 H new ATOM 0 HE ARG A 54 3.068 14.163 -2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.148 13.149 0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.187 14.369 1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.690 15.604 -1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.793 15.760 0.001 1.00 0.00 H new ATOM 866 N THR A 55 6.717 8.525 -4.112 1.00 0.00 N ATOM 867 CA THR A 55 7.473 7.310 -3.896 1.00 0.00 C ATOM 868 C THR A 55 7.628 7.028 -2.402 1.00 0.00 C ATOM 869 O THR A 55 7.330 7.877 -1.555 1.00 0.00 O ATOM 870 CB THR A 55 8.826 7.417 -4.627 1.00 0.00 C ATOM 871 OG1 THR A 55 9.629 8.489 -4.148 1.00 0.00 O ATOM 872 CG2 THR A 55 8.645 7.577 -6.140 1.00 0.00 C ATOM 0 H THR A 55 7.175 9.341 -3.707 1.00 0.00 H new ATOM 0 HA THR A 55 6.936 6.458 -4.313 1.00 0.00 H new ATOM 0 HB THR A 55 9.339 6.479 -4.417 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.140 9.333 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.622 7.649 -6.618 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.110 6.714 -6.536 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.074 8.483 -6.344 1.00 0.00 H new ATOM 880 N LEU A 56 8.104 5.827 -2.063 1.00 0.00 N ATOM 881 CA LEU A 56 8.316 5.401 -0.681 1.00 0.00 C ATOM 882 C LEU A 56 9.157 6.392 0.121 1.00 0.00 C ATOM 883 O LEU A 56 8.825 6.660 1.273 1.00 0.00 O ATOM 884 CB LEU A 56 8.938 3.995 -0.623 1.00 0.00 C ATOM 885 CG LEU A 56 7.872 2.897 -0.476 1.00 0.00 C ATOM 886 CD1 LEU A 56 6.972 2.769 -1.702 1.00 0.00 C ATOM 887 CD2 LEU A 56 8.554 1.562 -0.182 1.00 0.00 C ATOM 0 H LEU A 56 8.355 5.116 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 56 7.331 5.369 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.518 3.818 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.632 3.940 0.216 1.00 0.00 H new ATOM 0 HG LEU A 56 7.226 3.183 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.241 1.978 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.453 3.712 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.578 2.526 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.799 0.783 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.226 1.308 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.124 1.641 0.744 1.00 0.00 H new ATOM 899 N SER A 57 10.236 6.931 -0.448 1.00 0.00 N ATOM 900 CA SER A 57 11.095 7.881 0.256 1.00 0.00 C ATOM 901 C SER A 57 10.383 9.195 0.566 1.00 0.00 C ATOM 902 O SER A 57 10.647 9.780 1.614 1.00 0.00 O ATOM 903 CB SER A 57 12.376 8.120 -0.538 1.00 0.00 C ATOM 904 OG SER A 57 13.056 6.885 -0.628 1.00 0.00 O ATOM 0 H SER A 57 10.536 6.723 -1.400 1.00 0.00 H new ATOM 0 HA SER A 57 11.354 7.438 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.145 8.504 -1.532 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.999 8.866 -0.045 1.00 0.00 H new ATOM 0 HG SER A 57 12.512 6.249 -1.138 1.00 0.00 H new ATOM 910 N ASP A 58 9.457 9.646 -0.285 1.00 0.00 N ATOM 911 CA ASP A 58 8.722 10.890 -0.050 1.00 0.00 C ATOM 912 C ASP A 58 7.886 10.710 1.215 1.00 0.00 C ATOM 913 O ASP A 58 7.881 11.558 2.108 1.00 0.00 O ATOM 914 CB ASP A 58 7.825 11.258 -1.234 1.00 0.00 C ATOM 915 CG ASP A 58 8.624 11.440 -2.517 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.326 10.734 -3.504 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.565 12.266 -2.529 1.00 0.00 O ATOM 0 H ASP A 58 9.198 9.165 -1.146 1.00 0.00 H new ATOM 0 HA ASP A 58 9.432 11.708 0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.078 10.478 -1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.286 12.178 -1.009 1.00 0.00 H new ATOM 922 N TYR A 59 7.229 9.557 1.325 1.00 0.00 N ATOM 923 CA TYR A 59 6.399 9.185 2.459 1.00 0.00 C ATOM 924 C TYR A 59 7.246 8.646 3.626 1.00 0.00 C ATOM 925 O TYR A 59 6.688 8.246 4.647 1.00 0.00 O ATOM 926 CB TYR A 59 5.326 8.197 2.001 1.00 0.00 C ATOM 927 CG TYR A 59 4.267 8.798 1.095 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.364 9.758 1.597 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.125 8.334 -0.225 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.306 10.228 0.798 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.066 8.793 -1.024 1.00 0.00 C ATOM 932 CZ TYR A 59 2.149 9.738 -0.518 1.00 0.00 C ATOM 933 OH TYR A 59 1.128 10.183 -1.303 1.00 0.00 O ATOM 0 H TYR A 59 7.263 8.837 0.603 1.00 0.00 H new ATOM 0 HA TYR A 59 5.897 10.072 2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.809 7.372 1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.838 7.775 2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.486 10.135 2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.832 7.623 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.616 10.961 1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.953 8.421 -2.031 1.00 0.00 H new ATOM 0 HH TYR A 59 1.171 9.742 -2.177 1.00 0.00 H new ATOM 943 N ASN A 60 8.580 8.615 3.485 1.00 0.00 N ATOM 944 CA ASN A 60 9.561 8.156 4.466 1.00 0.00 C ATOM 945 C ASN A 60 9.287 6.724 4.937 1.00 0.00 C ATOM 946 O ASN A 60 9.315 6.416 6.134 1.00 0.00 O ATOM 947 CB ASN A 60 9.637 9.165 5.613 1.00 0.00 C ATOM 948 CG ASN A 60 10.834 8.969 6.529 1.00 0.00 C ATOM 949 OD1 ASN A 60 11.655 8.068 6.377 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.998 9.880 7.470 1.00 0.00 N ATOM 0 H ASN A 60 9.026 8.932 2.624 1.00 0.00 H new ATOM 0 HA ASN A 60 10.542 8.108 3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.672 10.172 5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.724 9.097 6.205 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.814 9.841 8.081 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.309 10.623 7.586 1.00 0.00 H new ATOM 957 N ILE A 61 9.027 5.829 3.996 1.00 0.00 N ATOM 958 CA ILE A 61 8.745 4.428 4.258 1.00 0.00 C ATOM 959 C ILE A 61 10.068 3.682 4.078 1.00 0.00 C ATOM 960 O ILE A 61 10.720 3.804 3.037 1.00 0.00 O ATOM 961 CB ILE A 61 7.601 3.923 3.355 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.398 4.897 3.373 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.193 2.525 3.841 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.160 4.445 2.590 1.00 0.00 C ATOM 0 H ILE A 61 9.006 6.064 3.004 1.00 0.00 H new ATOM 0 HA ILE A 61 8.381 4.257 5.271 1.00 0.00 H new ATOM 0 HB ILE A 61 7.942 3.871 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.107 5.065 4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.726 5.857 2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.384 2.145 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.048 1.853 3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.857 2.583 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.381 5.203 2.672 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.423 4.307 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.794 3.503 2.999 1.00 0.00 H new ATOM 976 N GLN A 62 10.486 2.958 5.118 1.00 0.00 N ATOM 977 CA GLN A 62 11.723 2.182 5.155 1.00 0.00 C ATOM 978 C GLN A 62 11.433 0.691 4.926 1.00 0.00 C ATOM 979 O GLN A 62 10.275 0.305 4.738 1.00 0.00 O ATOM 980 CB GLN A 62 12.451 2.451 6.487 1.00 0.00 C ATOM 981 CG GLN A 62 12.674 3.948 6.787 1.00 0.00 C ATOM 982 CD GLN A 62 13.377 4.696 5.652 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.389 4.248 5.118 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.877 5.845 5.233 1.00 0.00 N ATOM 0 H GLN A 62 9.954 2.895 5.986 1.00 0.00 H new ATOM 0 HA GLN A 62 12.384 2.493 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.875 2.010 7.300 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.417 1.946 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.711 4.420 6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.266 4.045 7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.037 6.225 5.670 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.331 6.352 4.473 1.00 0.00 H new ATOM 993 N LYS A 63 12.481 -0.144 4.897 1.00 0.00 N ATOM 994 CA LYS A 63 12.343 -1.584 4.680 1.00 0.00 C ATOM 995 C LYS A 63 11.574 -2.245 5.821 1.00 0.00 C ATOM 996 O LYS A 63 11.531 -1.724 6.939 1.00 0.00 O ATOM 997 CB LYS A 63 13.710 -2.260 4.449 1.00 0.00 C ATOM 998 CG LYS A 63 14.606 -2.365 5.696 1.00 0.00 C ATOM 999 CD LYS A 63 15.908 -3.111 5.370 1.00 0.00 C ATOM 1000 CE LYS A 63 16.881 -3.016 6.552 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.294 -3.021 6.121 1.00 0.00 N ATOM 0 H LYS A 63 13.445 0.163 5.024 1.00 0.00 H new ATOM 0 HA LYS A 63 11.761 -1.722 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.540 -3.263 4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.247 -1.704 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.837 -1.367 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.072 -2.886 6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.692 -4.156 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.366 -2.686 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.679 -2.104 7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.708 -3.852 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.912 -2.955 6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.497 -3.903 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.469 -2.209 5.496 1.00 0.00 H new ATOM 1015 N GLU A 64 10.986 -3.394 5.513 1.00 0.00 N ATOM 1016 CA GLU A 64 10.197 -4.242 6.387 1.00 0.00 C ATOM 1017 C GLU A 64 9.129 -3.454 7.170 1.00 0.00 C ATOM 1018 O GLU A 64 8.930 -3.626 8.374 1.00 0.00 O ATOM 1019 CB GLU A 64 11.132 -5.151 7.204 1.00 0.00 C ATOM 1020 CG GLU A 64 11.678 -6.338 6.383 1.00 0.00 C ATOM 1021 CD GLU A 64 12.919 -6.021 5.535 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.796 -5.672 4.339 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.045 -6.216 6.049 1.00 0.00 O ATOM 0 H GLU A 64 11.056 -3.784 4.573 1.00 0.00 H new ATOM 0 HA GLU A 64 9.580 -4.922 5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.967 -4.561 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.594 -5.532 8.072 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.921 -7.152 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.888 -6.699 5.724 1.00 0.00 H new ATOM 1030 N SER A 65 8.476 -2.509 6.490 1.00 0.00 N ATOM 1031 CA SER A 65 7.405 -1.690 7.041 1.00 0.00 C ATOM 1032 C SER A 65 6.081 -2.445 6.850 1.00 0.00 C ATOM 1033 O SER A 65 5.960 -3.226 5.911 1.00 0.00 O ATOM 1034 CB SER A 65 7.401 -0.317 6.356 1.00 0.00 C ATOM 1035 OG SER A 65 7.711 -0.410 4.979 1.00 0.00 O ATOM 0 H SER A 65 8.686 -2.290 5.516 1.00 0.00 H new ATOM 0 HA SER A 65 7.550 -1.511 8.106 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.421 0.145 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.124 0.335 6.847 1.00 0.00 H new ATOM 0 HG SER A 65 8.615 -0.065 4.823 1.00 0.00 H new ATOM 1041 N THR A 66 5.069 -2.205 7.685 1.00 0.00 N ATOM 1042 CA THR A 66 3.762 -2.863 7.605 1.00 0.00 C ATOM 1043 C THR A 66 2.728 -1.767 7.362 1.00 0.00 C ATOM 1044 O THR A 66 2.532 -0.883 8.197 1.00 0.00 O ATOM 1045 CB THR A 66 3.522 -3.748 8.847 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.662 -4.560 9.092 1.00 0.00 O ATOM 1047 CG2 THR A 66 2.324 -4.684 8.666 1.00 0.00 C ATOM 0 H THR A 66 5.135 -1.535 8.451 1.00 0.00 H new ATOM 0 HA THR A 66 3.692 -3.567 6.776 1.00 0.00 H new ATOM 0 HB THR A 66 3.328 -3.072 9.679 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.503 -5.117 9.882 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.194 -5.287 9.565 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.424 -4.094 8.492 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.500 -5.339 7.812 1.00 0.00 H new ATOM 1055 N LEU A 67 2.089 -1.797 6.194 1.00 0.00 N ATOM 1056 CA LEU A 67 1.086 -0.840 5.747 1.00 0.00 C ATOM 1057 C LEU A 67 -0.325 -1.410 5.916 1.00 0.00 C ATOM 1058 O LEU A 67 -0.496 -2.582 6.261 1.00 0.00 O ATOM 1059 CB LEU A 67 1.361 -0.487 4.272 1.00 0.00 C ATOM 1060 CG LEU A 67 2.643 0.340 4.037 1.00 0.00 C ATOM 1061 CD1 LEU A 67 3.950 -0.468 4.038 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.536 1.063 2.696 1.00 0.00 C ATOM 0 H LEU A 67 2.267 -2.525 5.503 1.00 0.00 H new ATOM 0 HA LEU A 67 1.147 0.062 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.430 -1.411 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.509 0.069 3.880 1.00 0.00 H new ATOM 0 HG LEU A 67 2.701 1.026 4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.792 0.202 3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.071 -0.962 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.915 -1.218 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.439 1.649 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.421 0.331 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.671 1.726 2.708 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.336 -0.555 5.773 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.760 -0.855 5.857 1.00 0.00 C ATOM 1076 C HIS A 68 -3.431 -0.500 4.530 1.00 0.00 C ATOM 1077 O HIS A 68 -2.958 0.366 3.795 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.411 -0.043 6.984 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.284 -0.659 8.349 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.343 -0.341 9.304 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -4.171 -1.539 8.910 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.646 -1.020 10.421 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.764 -1.746 10.233 1.00 0.00 N ATOM 0 H HIS A 68 -1.168 0.433 5.582 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.885 -1.917 6.067 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.963 0.950 7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.469 0.089 6.756 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.024 -1.989 8.423 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.076 -0.989 11.338 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.227 -2.336 10.924 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.551 -1.153 4.236 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.373 -0.956 3.047 1.00 0.00 C ATOM 1093 C LEU A 69 -6.780 -0.617 3.558 1.00 0.00 C ATOM 1094 O LEU A 69 -7.275 -1.392 4.381 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.292 -2.245 2.204 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.062 -2.288 1.285 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -3.843 -3.718 0.777 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.202 -1.347 0.081 1.00 0.00 C ATOM 0 H LEU A 69 -4.929 -1.872 4.853 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.048 -0.144 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.270 -3.107 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.194 -2.333 1.598 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.208 -1.956 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.969 -3.743 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.683 -4.385 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.721 -4.044 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.308 -1.413 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.073 -1.636 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.325 -0.323 0.432 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.404 0.504 3.161 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.749 0.908 3.617 1.00 0.00 C ATOM 1112 C VAL A 70 -9.622 1.510 2.496 1.00 0.00 C ATOM 1113 O VAL A 70 -9.120 1.931 1.448 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.641 1.910 4.796 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.752 1.413 5.945 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.139 3.293 4.347 1.00 0.00 C ATOM 0 H VAL A 70 -6.986 1.165 2.506 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.246 -0.005 3.946 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.662 1.996 5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.723 2.165 6.734 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.159 0.484 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.742 1.237 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.081 3.957 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.150 3.193 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.829 3.710 3.614 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.930 1.632 2.757 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.940 2.184 1.852 1.00 0.00 C ATOM 1128 C LEU A 71 -12.855 3.163 2.588 1.00 0.00 C ATOM 1129 O LEU A 71 -12.586 3.535 3.731 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.752 1.040 1.214 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.738 0.314 2.163 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.159 0.310 1.590 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.297 -1.126 2.425 1.00 0.00 C ATOM 0 H LEU A 71 -11.329 1.334 3.647 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.436 2.738 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.315 1.443 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.056 0.305 0.810 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.735 0.864 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.828 -0.207 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.500 1.337 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.162 -0.203 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.009 -1.609 3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.258 -1.672 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.309 -1.126 2.886 1.00 0.00 H new ATOM 1145 N ARG A 72 -13.938 3.592 1.940 1.00 0.00 N ATOM 1146 CA ARG A 72 -14.953 4.499 2.460 1.00 0.00 C ATOM 1147 C ARG A 72 -16.219 4.126 1.698 1.00 0.00 C ATOM 1148 O ARG A 72 -16.157 3.991 0.475 1.00 0.00 O ATOM 1149 CB ARG A 72 -14.527 5.970 2.244 1.00 0.00 C ATOM 1150 CG ARG A 72 -14.814 6.862 3.464 1.00 0.00 C ATOM 1151 CD ARG A 72 -13.906 6.512 4.653 1.00 0.00 C ATOM 1152 NE ARG A 72 -14.459 6.991 5.928 1.00 0.00 N ATOM 1153 CZ ARG A 72 -14.322 6.377 7.110 1.00 0.00 C ATOM 1154 NH1 ARG A 72 -13.506 5.337 7.243 1.00 0.00 N ATOM 1155 NH2 ARG A 72 -15.027 6.798 8.148 1.00 0.00 N ATOM 0 H ARG A 72 -14.139 3.297 0.984 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.105 4.408 3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.461 6.005 2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.051 6.371 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.670 7.908 3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.858 6.750 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.770 5.431 4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.920 6.951 4.498 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.990 7.862 5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.976 4.999 6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.409 4.877 8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.668 7.584 8.044 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.929 6.336 9.052 1.00 0.00 H new ATOM 1169 N LEU A 73 -17.345 3.935 2.385 1.00 0.00 N ATOM 1170 CA LEU A 73 -18.605 3.553 1.755 1.00 0.00 C ATOM 1171 C LEU A 73 -19.748 4.219 2.503 1.00 0.00 C ATOM 1172 O LEU A 73 -19.734 4.216 3.736 1.00 0.00 O ATOM 1173 CB LEU A 73 -18.745 2.015 1.816 1.00 0.00 C ATOM 1174 CG LEU A 73 -19.222 1.424 0.483 1.00 0.00 C ATOM 1175 CD1 LEU A 73 -19.026 -0.089 0.452 1.00 0.00 C ATOM 1176 CD2 LEU A 73 -20.691 1.740 0.191 1.00 0.00 C ATOM 0 H LEU A 73 -17.407 4.042 3.397 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.627 3.872 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.785 1.575 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.449 1.747 2.603 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.612 1.893 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -19.373 -0.481 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.969 -0.322 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.597 -0.546 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.975 1.298 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -21.316 1.327 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -20.829 2.820 0.146 1.00 0.00 H new ATOM 1188 N ARG A 74 -20.717 4.801 1.793 1.00 0.00 N ATOM 1189 CA ARG A 74 -21.877 5.459 2.399 1.00 0.00 C ATOM 1190 C ARG A 74 -23.144 4.624 2.241 1.00 0.00 C ATOM 1191 O ARG A 74 -24.137 4.896 2.920 1.00 0.00 O ATOM 1192 CB ARG A 74 -22.016 6.899 1.879 1.00 0.00 C ATOM 1193 CG ARG A 74 -20.777 7.776 2.151 1.00 0.00 C ATOM 1194 CD ARG A 74 -20.289 7.711 3.608 1.00 0.00 C ATOM 1195 NE ARG A 74 -21.297 8.212 4.556 1.00 0.00 N ATOM 1196 CZ ARG A 74 -21.449 9.474 4.956 1.00 0.00 C ATOM 1197 NH1 ARG A 74 -20.627 10.417 4.509 1.00 0.00 N ATOM 1198 NH2 ARG A 74 -22.427 9.784 5.793 1.00 0.00 N ATOM 0 H ARG A 74 -20.719 4.829 0.773 1.00 0.00 H new ATOM 0 HA ARG A 74 -21.715 5.534 3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -22.203 6.872 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -22.887 7.361 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -19.968 7.463 1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -21.011 8.811 1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.037 6.681 3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -19.375 8.296 3.709 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.943 7.525 4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.879 10.175 3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.744 11.383 4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.060 9.058 6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.547 10.749 6.102 1.00 0.00 H new ATOM 1212 N GLY A 75 -23.115 3.580 1.414 1.00 0.00 N ATOM 1213 CA GLY A 75 -24.236 2.674 1.209 1.00 0.00 C ATOM 1214 C GLY A 75 -24.215 1.572 2.280 1.00 0.00 C ATOM 1215 O GLY A 75 -24.824 0.519 2.095 1.00 0.00 O ATOM 0 H GLY A 75 -22.294 3.339 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -25.175 3.225 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -24.180 2.230 0.215 1.00 0.00 H new ATOM 1219 N GLY A 76 -23.502 1.771 3.392 1.00 0.00 N ATOM 1220 CA GLY A 76 -23.350 0.852 4.500 1.00 0.00 C ATOM 1221 C GLY A 76 -22.245 1.431 5.347 1.00 0.00 C ATOM 1222 O GLY A 76 -21.170 0.806 5.444 1.00 0.00 O ATOM 0 H GLY A 76 -22.986 2.638 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -24.276 0.764 5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -23.094 -0.148 4.150 1.00 0.00 H new TER 1226 GLY A 76