USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 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 27 CYS SG : rot -117:sc= -1.26 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 16 SER OG : rot 180:sc= -0.187 USER MOD Set 3.2: A 50 LYS NZ :NH3+ 171:sc= 0.491 (180deg=-0.00678) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0636 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0.0248 (180deg=0.0178) USER MOD Single : A 10 GLN : amide:sc= 0.414 K(o=0.41,f=-3.4!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -161:sc= -0.834 (180deg=-1.59) USER MOD Single : A 26 SER OG : rot -43:sc= 1.06 USER MOD Single : A 28 GLN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 40 TYR OH : rot -38:sc= 1.12 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 147:sc= 0.0445 (180deg=-0.226) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= 0.00778 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.895 -4.953 11.135 1.00 0.00 N ATOM 2 CA GLY A 1 26.113 -5.550 10.530 1.00 0.00 C ATOM 3 C GLY A 1 26.195 -5.317 9.026 1.00 0.00 C ATOM 4 O GLY A 1 25.381 -4.596 8.444 1.00 0.00 O ATOM 0 H1 GLY A 1 25.170 -4.290 11.887 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.358 -4.444 10.404 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.302 -5.707 11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.996 -5.127 11.008 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.125 -6.622 10.729 1.00 0.00 H new ATOM 10 N SER A 2 27.190 -5.927 8.381 1.00 0.00 N ATOM 11 CA SER A 2 27.506 -5.742 6.947 1.00 0.00 C ATOM 12 C SER A 2 26.519 -6.420 5.961 1.00 0.00 C ATOM 13 O SER A 2 26.592 -6.184 4.749 1.00 0.00 O ATOM 14 CB SER A 2 28.923 -6.273 6.668 1.00 0.00 C ATOM 15 OG SER A 2 29.892 -5.692 7.535 1.00 0.00 O ATOM 0 H SER A 2 27.820 -6.582 8.845 1.00 0.00 H new ATOM 0 HA SER A 2 27.422 -4.670 6.767 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.934 -7.356 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.191 -6.063 5.633 1.00 0.00 H new ATOM 0 HG SER A 2 30.778 -6.056 7.327 1.00 0.00 H new ATOM 21 N HIS A 3 25.605 -7.269 6.444 1.00 0.00 N ATOM 22 CA HIS A 3 24.622 -7.994 5.621 1.00 0.00 C ATOM 23 C HIS A 3 23.709 -7.068 4.778 1.00 0.00 C ATOM 24 O HIS A 3 23.196 -6.056 5.265 1.00 0.00 O ATOM 25 CB HIS A 3 23.776 -8.900 6.528 1.00 0.00 C ATOM 26 CG HIS A 3 22.781 -9.737 5.763 1.00 0.00 C ATOM 27 ND1 HIS A 3 21.416 -9.454 5.625 1.00 0.00 N ATOM 28 CD2 HIS A 3 23.082 -10.850 5.034 1.00 0.00 C ATOM 29 CE1 HIS A 3 20.928 -10.415 4.816 1.00 0.00 C ATOM 30 NE2 HIS A 3 21.905 -11.264 4.450 1.00 0.00 N ATOM 0 H HIS A 3 25.524 -7.478 7.439 1.00 0.00 H new ATOM 0 HA HIS A 3 25.184 -8.589 4.901 1.00 0.00 H new ATOM 0 HB2 HIS A 3 24.437 -9.557 7.093 1.00 0.00 H new ATOM 0 HB3 HIS A 3 23.243 -8.284 7.252 1.00 0.00 H new ATOM 0 HD2 HIS A 3 24.052 -11.315 4.934 1.00 0.00 H new ATOM 0 HE1 HIS A 3 19.897 -10.493 4.505 1.00 0.00 H new ATOM 0 HE2 HIS A 3 21.793 -12.076 3.843 1.00 0.00 H new ATOM 38 N MET A 4 23.487 -7.446 3.515 1.00 0.00 N ATOM 39 CA MET A 4 22.585 -6.784 2.554 1.00 0.00 C ATOM 40 C MET A 4 22.150 -7.739 1.424 1.00 0.00 C ATOM 41 O MET A 4 22.774 -8.776 1.191 1.00 0.00 O ATOM 42 CB MET A 4 23.254 -5.529 1.960 1.00 0.00 C ATOM 43 CG MET A 4 24.592 -5.811 1.260 1.00 0.00 C ATOM 44 SD MET A 4 25.386 -4.340 0.560 1.00 0.00 S ATOM 45 CE MET A 4 26.907 -5.094 -0.076 1.00 0.00 C ATOM 0 H MET A 4 23.951 -8.260 3.111 1.00 0.00 H new ATOM 0 HA MET A 4 21.690 -6.487 3.101 1.00 0.00 H new ATOM 0 HB2 MET A 4 22.571 -5.068 1.246 1.00 0.00 H new ATOM 0 HB3 MET A 4 23.418 -4.804 2.758 1.00 0.00 H new ATOM 0 HG2 MET A 4 25.273 -6.273 1.975 1.00 0.00 H new ATOM 0 HG3 MET A 4 24.427 -6.536 0.463 1.00 0.00 H new ATOM 0 HE1 MET A 4 27.524 -4.328 -0.546 1.00 0.00 H new ATOM 0 HE2 MET A 4 27.458 -5.550 0.746 1.00 0.00 H new ATOM 0 HE3 MET A 4 26.654 -5.858 -0.812 1.00 0.00 H new ATOM 55 N LEU A 5 21.081 -7.376 0.709 1.00 0.00 N ATOM 56 CA LEU A 5 20.484 -8.202 -0.349 1.00 0.00 C ATOM 57 C LEU A 5 21.394 -8.294 -1.594 1.00 0.00 C ATOM 58 O LEU A 5 21.639 -9.377 -2.134 1.00 0.00 O ATOM 59 CB LEU A 5 19.105 -7.624 -0.720 1.00 0.00 C ATOM 60 CG LEU A 5 18.048 -7.642 0.406 1.00 0.00 C ATOM 61 CD1 LEU A 5 18.117 -6.430 1.344 1.00 0.00 C ATOM 62 CD2 LEU A 5 16.649 -7.625 -0.216 1.00 0.00 C ATOM 0 H LEU A 5 20.598 -6.489 0.849 1.00 0.00 H new ATOM 0 HA LEU A 5 20.368 -9.218 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 5 19.240 -6.594 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 5 18.714 -8.183 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 5 18.252 -8.542 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 5 17.343 -6.516 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 5 19.096 -6.395 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 5 17.961 -5.517 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 5 15.899 -7.638 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.529 -6.723 -0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 5 16.522 -8.502 -0.850 1.00 0.00 H new ATOM 74 N LEU A 6 21.924 -7.139 -2.006 1.00 0.00 N ATOM 75 CA LEU A 6 22.943 -6.918 -3.049 1.00 0.00 C ATOM 76 C LEU A 6 23.556 -5.506 -2.871 1.00 0.00 C ATOM 77 O LEU A 6 24.772 -5.323 -2.948 1.00 0.00 O ATOM 78 CB LEU A 6 22.301 -7.085 -4.446 1.00 0.00 C ATOM 79 CG LEU A 6 23.229 -7.678 -5.523 1.00 0.00 C ATOM 80 CD1 LEU A 6 22.428 -7.915 -6.804 1.00 0.00 C ATOM 81 CD2 LEU A 6 24.420 -6.785 -5.869 1.00 0.00 C ATOM 0 H LEU A 6 21.630 -6.257 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 6 23.742 -7.653 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 6 21.424 -7.725 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 6 21.950 -6.111 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 6 23.624 -8.605 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 6 23.081 -8.335 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 6 21.614 -8.610 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 6 22.017 -6.969 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 6 25.027 -7.269 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 6 24.060 -5.827 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 6 25.024 -6.621 -4.976 1.00 0.00 H new ATOM 93 N GLU A 7 22.700 -4.530 -2.521 1.00 0.00 N ATOM 94 CA GLU A 7 23.047 -3.185 -2.002 1.00 0.00 C ATOM 95 C GLU A 7 22.188 -2.816 -0.789 1.00 0.00 C ATOM 96 O GLU A 7 21.071 -3.310 -0.644 1.00 0.00 O ATOM 97 CB GLU A 7 22.871 -2.096 -3.074 1.00 0.00 C ATOM 98 CG GLU A 7 23.807 -2.266 -4.271 1.00 0.00 C ATOM 99 CD GLU A 7 23.764 -1.014 -5.140 1.00 0.00 C ATOM 100 OE1 GLU A 7 22.815 -0.868 -5.943 1.00 0.00 O ATOM 101 OE2 GLU A 7 24.666 -0.159 -5.004 1.00 0.00 O ATOM 0 H GLU A 7 21.691 -4.660 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 7 24.096 -3.233 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 7 21.839 -2.105 -3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 7 23.045 -1.120 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 7 24.825 -2.446 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 7 23.510 -3.137 -4.856 1.00 0.00 H new ATOM 108 N PHE A 8 22.685 -1.919 0.065 1.00 0.00 N ATOM 109 CA PHE A 8 22.012 -1.513 1.311 1.00 0.00 C ATOM 110 C PHE A 8 20.643 -0.826 1.104 1.00 0.00 C ATOM 111 O PHE A 8 19.800 -0.829 2.001 1.00 0.00 O ATOM 112 CB PHE A 8 22.938 -0.587 2.115 1.00 0.00 C ATOM 113 CG PHE A 8 24.250 -1.210 2.557 1.00 0.00 C ATOM 114 CD1 PHE A 8 24.268 -2.146 3.613 1.00 0.00 C ATOM 115 CD2 PHE A 8 25.459 -0.837 1.938 1.00 0.00 C ATOM 116 CE1 PHE A 8 25.485 -2.718 4.030 1.00 0.00 C ATOM 117 CE2 PHE A 8 26.677 -1.408 2.357 1.00 0.00 C ATOM 118 CZ PHE A 8 26.689 -2.355 3.399 1.00 0.00 C ATOM 0 H PHE A 8 23.576 -1.446 -0.086 1.00 0.00 H new ATOM 0 HA PHE A 8 21.805 -2.434 1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 8 23.158 0.294 1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.402 -0.242 2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 8 23.346 -2.424 4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 8 25.452 -0.110 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 8 25.494 -3.437 4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 8 27.601 -1.119 1.879 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.621 -2.802 3.713 1.00 0.00 H new ATOM 128 N LYS A 9 20.413 -0.236 -0.072 1.00 0.00 N ATOM 129 CA LYS A 9 19.217 0.553 -0.441 1.00 0.00 C ATOM 130 C LYS A 9 17.916 -0.278 -0.573 1.00 0.00 C ATOM 131 O LYS A 9 16.813 0.225 -0.373 1.00 0.00 O ATOM 132 CB LYS A 9 19.502 1.261 -1.779 1.00 0.00 C ATOM 133 CG LYS A 9 20.668 2.269 -1.725 1.00 0.00 C ATOM 134 CD LYS A 9 21.067 2.794 -3.118 1.00 0.00 C ATOM 135 CE LYS A 9 21.732 1.707 -3.978 1.00 0.00 C ATOM 136 NZ LYS A 9 22.193 2.219 -5.287 1.00 0.00 N ATOM 0 H LYS A 9 21.085 -0.294 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 9 19.040 1.257 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.722 0.508 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.600 1.782 -2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.386 3.110 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.532 1.794 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 9 20.181 3.170 -3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 9 21.751 3.635 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.581 1.289 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.025 0.893 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.525 1.426 -5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 21.406 2.700 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 22.973 2.892 -5.142 1.00 0.00 H new ATOM 150 N GLN A 10 18.040 -1.542 -0.982 1.00 0.00 N ATOM 151 CA GLN A 10 16.954 -2.400 -1.508 1.00 0.00 C ATOM 152 C GLN A 10 15.987 -2.907 -0.454 1.00 0.00 C ATOM 153 O GLN A 10 14.887 -3.345 -0.784 1.00 0.00 O ATOM 154 CB GLN A 10 17.495 -3.634 -2.245 1.00 0.00 C ATOM 155 CG GLN A 10 18.619 -3.253 -3.198 1.00 0.00 C ATOM 156 CD GLN A 10 19.211 -4.448 -3.891 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.876 -5.269 -3.276 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.033 -4.561 -5.186 1.00 0.00 N ATOM 0 H GLN A 10 18.938 -2.026 -0.958 1.00 0.00 H new ATOM 0 HA GLN A 10 16.420 -1.735 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 10 17.859 -4.363 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 10 16.689 -4.112 -2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 10 18.239 -2.555 -3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 10 19.401 -2.733 -2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.476 -3.869 -5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 10 19.452 -5.341 -5.692 1.00 0.00 H new ATOM 167 N PHE A 11 16.362 -2.769 0.814 1.00 0.00 N ATOM 168 CA PHE A 11 15.465 -3.107 1.911 1.00 0.00 C ATOM 169 C PHE A 11 14.167 -2.296 1.839 1.00 0.00 C ATOM 170 O PHE A 11 13.095 -2.785 2.195 1.00 0.00 O ATOM 171 CB PHE A 11 16.121 -2.954 3.293 1.00 0.00 C ATOM 172 CG PHE A 11 16.374 -1.554 3.845 1.00 0.00 C ATOM 173 CD1 PHE A 11 16.960 -0.552 3.050 1.00 0.00 C ATOM 174 CD2 PHE A 11 16.073 -1.262 5.190 1.00 0.00 C ATOM 175 CE1 PHE A 11 17.256 0.713 3.568 1.00 0.00 C ATOM 176 CE2 PHE A 11 16.374 0.009 5.721 1.00 0.00 C ATOM 177 CZ PHE A 11 16.970 0.996 4.914 1.00 0.00 C ATOM 0 H PHE A 11 17.278 -2.427 1.105 1.00 0.00 H new ATOM 0 HA PHE A 11 15.225 -4.163 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 11 15.497 -3.483 4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 11 17.079 -3.472 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.187 -0.765 2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 11 15.611 -2.012 5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 11 17.702 1.468 2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 11 16.146 0.227 6.754 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.206 1.966 5.327 1.00 0.00 H new ATOM 187 N LEU A 12 14.265 -1.057 1.343 1.00 0.00 N ATOM 188 CA LEU A 12 13.148 -0.141 1.182 1.00 0.00 C ATOM 189 C LEU A 12 12.303 -0.387 -0.070 1.00 0.00 C ATOM 190 O LEU A 12 11.154 0.039 -0.154 1.00 0.00 O ATOM 191 CB LEU A 12 13.665 1.295 1.188 1.00 0.00 C ATOM 192 CG LEU A 12 13.055 1.990 2.410 1.00 0.00 C ATOM 193 CD1 LEU A 12 13.995 1.825 3.592 1.00 0.00 C ATOM 194 CD2 LEU A 12 12.767 3.415 2.010 1.00 0.00 C ATOM 0 H LEU A 12 15.153 -0.660 1.036 1.00 0.00 H new ATOM 0 HA LEU A 12 12.482 -0.321 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.754 1.312 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.381 1.810 0.270 1.00 0.00 H new ATOM 0 HG LEU A 12 12.111 1.552 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.569 2.317 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.132 0.764 3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 12 14.959 2.276 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.330 3.949 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.695 3.904 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.068 3.424 1.174 1.00 0.00 H new ATOM 206 N TYR A 13 12.901 -1.036 -1.048 1.00 0.00 N ATOM 207 CA TYR A 13 12.335 -1.309 -2.370 1.00 0.00 C ATOM 208 C TYR A 13 11.646 -2.691 -2.445 1.00 0.00 C ATOM 209 O TYR A 13 10.699 -2.869 -3.208 1.00 0.00 O ATOM 210 CB TYR A 13 13.488 -1.115 -3.368 1.00 0.00 C ATOM 211 CG TYR A 13 14.155 0.266 -3.321 1.00 0.00 C ATOM 212 CD1 TYR A 13 13.471 1.391 -2.813 1.00 0.00 C ATOM 213 CD2 TYR A 13 15.480 0.430 -3.765 1.00 0.00 C ATOM 214 CE1 TYR A 13 14.122 2.628 -2.655 1.00 0.00 C ATOM 215 CE2 TYR A 13 16.119 1.679 -3.660 1.00 0.00 C ATOM 216 CZ TYR A 13 15.450 2.772 -3.090 1.00 0.00 C ATOM 217 OH TYR A 13 16.077 3.973 -2.965 1.00 0.00 O ATOM 0 H TYR A 13 13.844 -1.410 -0.945 1.00 0.00 H new ATOM 0 HA TYR A 13 11.522 -0.625 -2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.246 -1.875 -3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 13 13.110 -1.286 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 13 12.430 1.301 -2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.011 -0.409 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.605 3.461 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.130 1.797 -4.020 1.00 0.00 H new ATOM 0 HH TYR A 13 16.991 3.903 -3.312 1.00 0.00 H new ATOM 227 N GLU A 14 12.041 -3.628 -1.573 1.00 0.00 N ATOM 228 CA GLU A 14 11.256 -4.827 -1.175 1.00 0.00 C ATOM 229 C GLU A 14 10.122 -4.513 -0.182 1.00 0.00 C ATOM 230 O GLU A 14 9.102 -5.203 -0.158 1.00 0.00 O ATOM 231 CB GLU A 14 12.209 -5.876 -0.578 1.00 0.00 C ATOM 232 CG GLU A 14 11.545 -7.234 -0.351 1.00 0.00 C ATOM 233 CD GLU A 14 12.580 -8.266 0.055 1.00 0.00 C ATOM 234 OE1 GLU A 14 12.918 -8.326 1.259 1.00 0.00 O ATOM 235 OE2 GLU A 14 13.031 -9.039 -0.820 1.00 0.00 O ATOM 0 H GLU A 14 12.945 -3.580 -1.103 1.00 0.00 H new ATOM 0 HA GLU A 14 10.774 -5.212 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.062 -6.003 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.598 -5.506 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.783 -7.149 0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.039 -7.555 -1.261 1.00 0.00 H new ATOM 242 N ALA A 15 10.266 -3.447 0.609 1.00 0.00 N ATOM 243 CA ALA A 15 9.340 -3.028 1.681 1.00 0.00 C ATOM 244 C ALA A 15 7.927 -2.757 1.182 1.00 0.00 C ATOM 245 O ALA A 15 6.920 -3.067 1.827 1.00 0.00 O ATOM 246 CB ALA A 15 9.801 -1.678 2.230 1.00 0.00 C ATOM 0 H ALA A 15 11.065 -2.819 0.521 1.00 0.00 H new ATOM 0 HA ALA A 15 9.339 -3.841 2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.125 -1.358 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.810 -1.774 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.797 -0.939 1.429 1.00 0.00 H new ATOM 252 N SER A 16 7.904 -2.050 0.054 1.00 0.00 N ATOM 253 CA SER A 16 6.814 -1.201 -0.389 1.00 0.00 C ATOM 254 C SER A 16 5.484 -1.968 -0.551 1.00 0.00 C ATOM 255 O SER A 16 4.391 -1.461 -0.303 1.00 0.00 O ATOM 256 CB SER A 16 7.292 -0.631 -1.729 1.00 0.00 C ATOM 257 OG SER A 16 8.206 0.446 -1.584 1.00 0.00 O ATOM 0 H SER A 16 8.684 -2.058 -0.603 1.00 0.00 H new ATOM 0 HA SER A 16 6.594 -0.427 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.765 -1.425 -2.306 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.428 -0.292 -2.301 1.00 0.00 H new ATOM 0 HG SER A 16 8.477 0.767 -2.470 1.00 0.00 H new ATOM 263 N ILE A 17 5.611 -3.234 -0.951 1.00 0.00 N ATOM 264 CA ILE A 17 4.622 -4.036 -1.687 1.00 0.00 C ATOM 265 C ILE A 17 4.434 -5.434 -1.029 1.00 0.00 C ATOM 266 O ILE A 17 3.667 -6.276 -1.498 1.00 0.00 O ATOM 267 CB ILE A 17 5.132 -4.007 -3.167 1.00 0.00 C ATOM 268 CG1 ILE A 17 4.511 -2.904 -4.070 1.00 0.00 C ATOM 269 CG2 ILE A 17 5.078 -5.341 -3.938 1.00 0.00 C ATOM 270 CD1 ILE A 17 3.929 -1.626 -3.441 1.00 0.00 C ATOM 0 H ILE A 17 6.461 -3.764 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 17 3.604 -3.648 -1.661 1.00 0.00 H new ATOM 0 HB ILE A 17 6.179 -3.767 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.280 -2.595 -4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.714 -3.371 -4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.457 -5.192 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.691 -6.082 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.047 -5.693 -3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.543 -0.977 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.121 -1.891 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.711 -1.103 -2.890 1.00 0.00 H new ATOM 282 N ASP A 18 5.104 -5.666 0.110 1.00 0.00 N ATOM 283 CA ASP A 18 5.200 -6.962 0.819 1.00 0.00 C ATOM 284 C ASP A 18 3.893 -7.387 1.516 1.00 0.00 C ATOM 285 O ASP A 18 3.581 -8.577 1.572 1.00 0.00 O ATOM 286 CB ASP A 18 6.343 -6.895 1.852 1.00 0.00 C ATOM 287 CG ASP A 18 6.564 -8.230 2.595 1.00 0.00 C ATOM 288 OD1 ASP A 18 7.101 -9.188 1.985 1.00 0.00 O ATOM 289 OD2 ASP A 18 6.235 -8.320 3.802 1.00 0.00 O ATOM 0 H ASP A 18 5.618 -4.926 0.588 1.00 0.00 H new ATOM 0 HA ASP A 18 5.402 -7.719 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.266 -6.610 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.123 -6.113 2.579 1.00 0.00 H new ATOM 294 N GLU A 19 3.112 -6.400 1.984 1.00 0.00 N ATOM 295 CA GLU A 19 1.762 -6.579 2.579 1.00 0.00 C ATOM 296 C GLU A 19 0.717 -5.561 2.141 1.00 0.00 C ATOM 297 O GLU A 19 -0.430 -5.932 1.951 1.00 0.00 O ATOM 298 CB GLU A 19 1.821 -6.658 4.116 1.00 0.00 C ATOM 299 CG GLU A 19 2.368 -5.404 4.800 1.00 0.00 C ATOM 300 CD GLU A 19 2.309 -5.574 6.312 1.00 0.00 C ATOM 301 OE1 GLU A 19 1.279 -5.205 6.920 1.00 0.00 O ATOM 302 OE2 GLU A 19 3.300 -6.074 6.901 1.00 0.00 O ATOM 0 H GLU A 19 3.404 -5.423 1.962 1.00 0.00 H new ATOM 0 HA GLU A 19 1.424 -7.534 2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.818 -6.854 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.440 -7.509 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.396 -5.226 4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.787 -4.532 4.500 1.00 0.00 H new ATOM 309 N PHE A 20 1.106 -4.313 1.875 1.00 0.00 N ATOM 310 CA PHE A 20 0.254 -3.167 1.510 1.00 0.00 C ATOM 311 C PHE A 20 -0.586 -3.445 0.251 1.00 0.00 C ATOM 312 O PHE A 20 -1.800 -3.357 0.263 1.00 0.00 O ATOM 313 CB PHE A 20 1.237 -2.005 1.235 1.00 0.00 C ATOM 314 CG PHE A 20 0.786 -0.589 1.534 1.00 0.00 C ATOM 315 CD1 PHE A 20 -0.496 -0.127 1.180 1.00 0.00 C ATOM 316 CD2 PHE A 20 1.732 0.304 2.074 1.00 0.00 C ATOM 317 CE1 PHE A 20 -0.807 1.232 1.325 1.00 0.00 C ATOM 318 CE2 PHE A 20 1.410 1.655 2.238 1.00 0.00 C ATOM 319 CZ PHE A 20 0.149 2.120 1.846 1.00 0.00 C ATOM 0 H PHE A 20 2.092 -4.053 1.910 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.457 -2.947 2.307 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.142 -2.193 1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.515 -2.049 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.235 -0.816 0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.709 -0.056 2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.782 1.597 1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.131 2.336 2.665 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.091 3.168 1.945 1.00 0.00 H new ATOM 329 N MET A 21 0.029 -3.940 -0.811 1.00 0.00 N ATOM 330 CA MET A 21 -0.610 -4.332 -2.075 1.00 0.00 C ATOM 331 C MET A 21 -1.670 -5.410 -1.880 1.00 0.00 C ATOM 332 O MET A 21 -2.701 -5.407 -2.542 1.00 0.00 O ATOM 333 CB MET A 21 0.465 -4.959 -2.964 1.00 0.00 C ATOM 334 CG MET A 21 1.195 -3.926 -3.811 1.00 0.00 C ATOM 335 SD MET A 21 0.378 -3.318 -5.301 1.00 0.00 S ATOM 336 CE MET A 21 -0.551 -4.757 -5.923 1.00 0.00 C ATOM 0 H MET A 21 1.038 -4.090 -0.824 1.00 0.00 H new ATOM 0 HA MET A 21 -1.073 -3.442 -2.501 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.186 -5.487 -2.340 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.005 -5.700 -3.617 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.412 -3.067 -3.176 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.153 -4.354 -4.107 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.799 -4.603 -6.973 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.059 -5.655 -5.822 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.469 -4.875 -5.347 1.00 0.00 H new ATOM 346 N GLY A 22 -1.451 -6.286 -0.907 1.00 0.00 N ATOM 347 CA GLY A 22 -2.461 -7.218 -0.419 1.00 0.00 C ATOM 348 C GLY A 22 -3.520 -6.518 0.414 1.00 0.00 C ATOM 349 O GLY A 22 -4.694 -6.845 0.335 1.00 0.00 O ATOM 0 H GLY A 22 -0.555 -6.370 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.935 -7.716 -1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.982 -7.993 0.179 1.00 0.00 H new ATOM 353 N LYS A 23 -3.136 -5.548 1.238 1.00 0.00 N ATOM 354 CA LYS A 23 -4.001 -4.861 2.149 1.00 0.00 C ATOM 355 C LYS A 23 -5.058 -4.096 1.377 1.00 0.00 C ATOM 356 O LYS A 23 -6.219 -4.136 1.749 1.00 0.00 O ATOM 357 CB LYS A 23 -3.139 -4.155 3.204 1.00 0.00 C ATOM 358 CG LYS A 23 -3.103 -2.651 3.086 1.00 0.00 C ATOM 359 CD LYS A 23 -2.299 -2.004 4.210 1.00 0.00 C ATOM 360 CE LYS A 23 -3.080 -2.090 5.525 1.00 0.00 C ATOM 361 NZ LYS A 23 -2.247 -1.786 6.709 1.00 0.00 N ATOM 0 H LYS A 23 -2.172 -5.217 1.279 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.628 -5.509 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.511 -4.419 4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.120 -4.536 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.669 -2.374 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.121 -2.263 3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.336 -2.504 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.092 -0.962 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.919 -1.396 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.499 -3.091 5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.827 -1.859 7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.460 -2.464 6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.868 -0.821 6.628 1.00 0.00 H new ATOM 375 N ILE A 24 -4.661 -3.422 0.301 1.00 0.00 N ATOM 376 CA ILE A 24 -5.579 -2.879 -0.686 1.00 0.00 C ATOM 377 C ILE A 24 -6.294 -3.881 -1.610 1.00 0.00 C ATOM 378 O ILE A 24 -7.519 -3.896 -1.664 1.00 0.00 O ATOM 379 CB ILE A 24 -4.827 -1.832 -1.509 1.00 0.00 C ATOM 380 CG1 ILE A 24 -3.384 -2.062 -1.912 1.00 0.00 C ATOM 381 CG2 ILE A 24 -4.913 -0.515 -0.740 1.00 0.00 C ATOM 382 CD1 ILE A 24 -2.980 -1.380 -3.170 1.00 0.00 C ATOM 0 H ILE A 24 -3.680 -3.237 0.091 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.402 -2.454 -0.112 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.330 -1.864 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.736 -1.722 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.218 -3.133 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.388 0.264 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.959 -0.232 -0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.454 -0.636 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.934 -1.599 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.600 -1.737 -3.993 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.110 -0.304 -3.058 1.00 0.00 H new ATOM 394 N ALA A 25 -5.562 -4.744 -2.320 1.00 0.00 N ATOM 395 CA ALA A 25 -6.156 -5.624 -3.346 1.00 0.00 C ATOM 396 C ALA A 25 -7.015 -6.754 -2.749 1.00 0.00 C ATOM 397 O ALA A 25 -7.909 -7.289 -3.408 1.00 0.00 O ATOM 398 CB ALA A 25 -5.068 -6.181 -4.263 1.00 0.00 C ATOM 0 H ALA A 25 -4.555 -4.857 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.836 -5.010 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.521 -6.828 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.552 -5.358 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.354 -6.755 -3.673 1.00 0.00 H new ATOM 404 N SER A 26 -6.745 -7.067 -1.482 1.00 0.00 N ATOM 405 CA SER A 26 -7.481 -8.000 -0.632 1.00 0.00 C ATOM 406 C SER A 26 -8.248 -7.328 0.524 1.00 0.00 C ATOM 407 O SER A 26 -8.672 -7.993 1.473 1.00 0.00 O ATOM 408 CB SER A 26 -6.623 -9.207 -0.214 1.00 0.00 C ATOM 409 OG SER A 26 -7.435 -10.132 0.479 1.00 0.00 O ATOM 0 H SER A 26 -5.955 -6.648 -0.991 1.00 0.00 H new ATOM 0 HA SER A 26 -8.277 -8.410 -1.253 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.182 -9.678 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.799 -8.881 0.420 1.00 0.00 H new ATOM 0 HG SER A 26 -8.017 -9.652 1.104 1.00 0.00 H new ATOM 415 N CYS A 27 -8.392 -6.003 0.508 1.00 0.00 N ATOM 416 CA CYS A 27 -9.134 -5.280 1.544 1.00 0.00 C ATOM 417 C CYS A 27 -10.580 -5.806 1.789 1.00 0.00 C ATOM 418 O CYS A 27 -11.094 -5.749 2.907 1.00 0.00 O ATOM 419 CB CYS A 27 -9.194 -3.823 1.103 1.00 0.00 C ATOM 420 SG CYS A 27 -10.069 -2.856 2.336 1.00 0.00 S ATOM 0 H CYS A 27 -8.001 -5.403 -0.218 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.614 -5.421 2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -8.186 -3.432 0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -9.698 -3.745 0.140 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.152 -2.363 1.812 1.00 0.00 H new ATOM 426 N GLN A 28 -11.239 -6.298 0.723 1.00 0.00 N ATOM 427 CA GLN A 28 -12.611 -6.876 0.665 1.00 0.00 C ATOM 428 C GLN A 28 -13.738 -5.825 0.718 1.00 0.00 C ATOM 429 O GLN A 28 -14.918 -6.163 0.619 1.00 0.00 O ATOM 430 CB GLN A 28 -12.863 -7.936 1.748 1.00 0.00 C ATOM 431 CG GLN A 28 -11.868 -9.095 1.779 1.00 0.00 C ATOM 432 CD GLN A 28 -11.494 -9.438 3.205 1.00 0.00 C ATOM 433 OE1 GLN A 28 -12.228 -10.102 3.924 1.00 0.00 O ATOM 434 NE2 GLN A 28 -10.363 -8.956 3.667 1.00 0.00 N ATOM 0 H GLN A 28 -10.798 -6.306 -0.197 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.644 -7.354 -0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.853 -7.445 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.864 -8.343 1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.303 -9.968 1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.973 -8.828 1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.758 -8.404 3.059 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.090 -9.134 4.633 1.00 0.00 H new ATOM 443 N THR A 29 -13.383 -4.551 0.888 1.00 0.00 N ATOM 444 CA THR A 29 -14.306 -3.431 1.047 1.00 0.00 C ATOM 445 C THR A 29 -13.670 -2.205 0.428 1.00 0.00 C ATOM 446 O THR A 29 -12.475 -1.960 0.603 1.00 0.00 O ATOM 447 CB THR A 29 -14.569 -3.125 2.528 1.00 0.00 C ATOM 448 OG1 THR A 29 -13.365 -3.038 3.272 1.00 0.00 O ATOM 449 CG2 THR A 29 -15.462 -4.164 3.207 1.00 0.00 C ATOM 0 H THR A 29 -12.405 -4.262 0.920 1.00 0.00 H new ATOM 0 HA THR A 29 -15.250 -3.691 0.568 1.00 0.00 H new ATOM 0 HB THR A 29 -15.082 -2.163 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.573 -2.841 4.209 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.609 -3.890 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.427 -4.200 2.702 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.987 -5.143 3.152 1.00 0.00 H new ATOM 457 N LEU A 30 -14.453 -1.413 -0.298 1.00 0.00 N ATOM 458 CA LEU A 30 -13.894 -0.194 -0.847 1.00 0.00 C ATOM 459 C LEU A 30 -13.664 0.805 0.258 1.00 0.00 C ATOM 460 O LEU A 30 -12.723 1.573 0.281 1.00 0.00 O ATOM 461 CB LEU A 30 -14.840 0.466 -1.830 1.00 0.00 C ATOM 462 CG LEU A 30 -13.923 1.451 -2.573 1.00 0.00 C ATOM 463 CD1 LEU A 30 -13.591 1.037 -3.948 1.00 0.00 C ATOM 464 CD2 LEU A 30 -14.511 2.800 -2.564 1.00 0.00 C ATOM 0 H LEU A 30 -15.435 -1.586 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.967 -0.472 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.289 -0.259 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.658 0.978 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.978 1.457 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.941 1.783 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.079 0.075 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.507 0.946 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.852 3.488 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.483 2.777 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.635 3.136 -1.535 1.00 0.00 H new ATOM 476 N GLU A 31 -14.570 0.752 1.202 1.00 0.00 N ATOM 477 CA GLU A 31 -14.604 1.583 2.356 1.00 0.00 C ATOM 478 C GLU A 31 -13.334 1.431 3.174 1.00 0.00 C ATOM 479 O GLU A 31 -12.811 2.408 3.691 1.00 0.00 O ATOM 480 CB GLU A 31 -15.839 1.085 3.100 1.00 0.00 C ATOM 481 CG GLU A 31 -16.380 2.164 3.972 1.00 0.00 C ATOM 482 CD GLU A 31 -17.533 1.665 4.822 1.00 0.00 C ATOM 483 OE1 GLU A 31 -17.275 1.174 5.941 1.00 0.00 O ATOM 484 OE2 GLU A 31 -18.697 1.785 4.379 1.00 0.00 O ATOM 0 H GLU A 31 -15.343 0.087 1.174 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.657 2.648 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.600 0.767 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.583 0.213 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.588 2.543 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.715 2.998 3.355 1.00 0.00 H new ATOM 491 N GLY A 32 -12.802 0.207 3.202 1.00 0.00 N ATOM 492 CA GLY A 32 -11.453 -0.067 3.663 1.00 0.00 C ATOM 493 C GLY A 32 -10.318 0.359 2.744 1.00 0.00 C ATOM 494 O GLY A 32 -9.336 0.910 3.195 1.00 0.00 O ATOM 0 H GLY A 32 -13.307 -0.626 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.315 0.426 4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.365 -1.139 3.839 1.00 0.00 H new ATOM 498 N LEU A 33 -10.451 0.171 1.445 1.00 0.00 N ATOM 499 CA LEU A 33 -9.473 0.586 0.445 1.00 0.00 C ATOM 500 C LEU A 33 -9.213 2.084 0.475 1.00 0.00 C ATOM 501 O LEU A 33 -8.087 2.540 0.390 1.00 0.00 O ATOM 502 CB LEU A 33 -10.081 0.169 -0.887 1.00 0.00 C ATOM 503 CG LEU A 33 -9.270 0.567 -2.130 1.00 0.00 C ATOM 504 CD1 LEU A 33 -7.785 0.355 -2.049 1.00 0.00 C ATOM 505 CD2 LEU A 33 -9.722 -0.278 -3.281 1.00 0.00 C ATOM 0 H LEU A 33 -11.266 -0.289 1.039 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.502 0.125 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.208 -0.914 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.076 0.607 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.446 1.638 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.321 0.672 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.378 0.941 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.577 -0.702 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.157 -0.009 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.555 -1.330 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.784 -0.111 -3.460 1.00 0.00 H new ATOM 517 N GLU A 34 -10.294 2.818 0.628 1.00 0.00 N ATOM 518 CA GLU A 34 -10.433 4.249 0.900 1.00 0.00 C ATOM 519 C GLU A 34 -9.890 4.702 2.267 1.00 0.00 C ATOM 520 O GLU A 34 -9.379 5.815 2.399 1.00 0.00 O ATOM 521 CB GLU A 34 -11.918 4.555 0.879 1.00 0.00 C ATOM 522 CG GLU A 34 -12.485 4.647 -0.532 1.00 0.00 C ATOM 523 CD GLU A 34 -12.133 5.917 -1.292 1.00 0.00 C ATOM 524 OE1 GLU A 34 -11.446 6.814 -0.765 1.00 0.00 O ATOM 525 OE2 GLU A 34 -12.542 6.008 -2.473 1.00 0.00 O ATOM 0 H GLU A 34 -11.213 2.380 0.558 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.850 4.777 0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.451 3.780 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.097 5.496 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.131 3.790 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.571 4.566 -0.476 1.00 0.00 H new ATOM 532 N GLU A 35 -9.981 3.839 3.282 1.00 0.00 N ATOM 533 CA GLU A 35 -9.349 4.036 4.618 1.00 0.00 C ATOM 534 C GLU A 35 -7.853 3.822 4.534 1.00 0.00 C ATOM 535 O GLU A 35 -7.096 4.627 5.047 1.00 0.00 O ATOM 536 CB GLU A 35 -9.867 3.078 5.704 1.00 0.00 C ATOM 537 CG GLU A 35 -11.276 3.395 6.158 1.00 0.00 C ATOM 538 CD GLU A 35 -11.266 4.302 7.380 1.00 0.00 C ATOM 539 OE1 GLU A 35 -11.211 3.774 8.519 1.00 0.00 O ATOM 540 OE2 GLU A 35 -11.302 5.542 7.208 1.00 0.00 O ATOM 0 H GLU A 35 -10.501 2.965 3.212 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.608 5.057 4.898 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.836 2.057 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.198 3.118 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.823 3.877 5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.803 2.470 6.392 1.00 0.00 H new ATOM 547 N LEU A 36 -7.440 2.780 3.824 1.00 0.00 N ATOM 548 CA LEU A 36 -6.082 2.512 3.407 1.00 0.00 C ATOM 549 C LEU A 36 -5.567 3.628 2.495 1.00 0.00 C ATOM 550 O LEU A 36 -4.409 4.004 2.610 1.00 0.00 O ATOM 551 CB LEU A 36 -5.921 1.125 2.777 1.00 0.00 C ATOM 552 CG LEU A 36 -6.042 -0.032 3.786 1.00 0.00 C ATOM 553 CD1 LEU A 36 -6.789 0.111 5.115 1.00 0.00 C ATOM 554 CD2 LEU A 36 -6.583 -1.237 3.044 1.00 0.00 C ATOM 0 H LEU A 36 -8.089 2.059 3.508 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.461 2.501 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.676 0.999 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.948 1.069 2.288 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.019 -0.098 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.743 -0.831 5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.326 0.898 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.830 0.368 4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.680 -2.075 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.560 -0.997 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.899 -1.506 2.240 1.00 0.00 H new ATOM 566 N GLU A 37 -6.393 4.206 1.615 1.00 0.00 N ATOM 567 CA GLU A 37 -6.013 5.296 0.749 1.00 0.00 C ATOM 568 C GLU A 37 -5.645 6.519 1.539 1.00 0.00 C ATOM 569 O GLU A 37 -4.612 7.144 1.302 1.00 0.00 O ATOM 570 CB GLU A 37 -7.164 5.697 -0.170 1.00 0.00 C ATOM 571 CG GLU A 37 -6.694 6.481 -1.388 1.00 0.00 C ATOM 572 CD GLU A 37 -6.954 7.987 -1.355 1.00 0.00 C ATOM 573 OE1 GLU A 37 -7.127 8.586 -0.275 1.00 0.00 O ATOM 574 OE2 GLU A 37 -6.971 8.574 -2.461 1.00 0.00 O ATOM 0 H GLU A 37 -7.362 3.913 1.493 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.160 4.941 0.170 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.690 4.801 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.879 6.298 0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.623 6.320 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.180 6.067 -2.272 1.00 0.00 H new ATOM 581 N ALA A 38 -6.459 6.787 2.551 1.00 0.00 N ATOM 582 CA ALA A 38 -6.128 7.789 3.519 1.00 0.00 C ATOM 583 C ALA A 38 -4.894 7.375 4.341 1.00 0.00 C ATOM 584 O ALA A 38 -3.949 8.152 4.410 1.00 0.00 O ATOM 585 CB ALA A 38 -7.336 8.084 4.410 1.00 0.00 C ATOM 0 H ALA A 38 -7.350 6.317 2.711 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.868 8.710 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.071 8.847 5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.162 8.441 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.637 7.174 4.929 1.00 0.00 H new ATOM 591 N TYR A 39 -4.816 6.153 4.891 1.00 0.00 N ATOM 592 CA TYR A 39 -3.714 5.749 5.782 1.00 0.00 C ATOM 593 C TYR A 39 -2.354 5.774 5.053 1.00 0.00 C ATOM 594 O TYR A 39 -1.332 6.134 5.631 1.00 0.00 O ATOM 595 CB TYR A 39 -3.985 4.355 6.383 1.00 0.00 C ATOM 596 CG TYR A 39 -2.832 3.362 6.290 1.00 0.00 C ATOM 597 CD1 TYR A 39 -2.668 2.615 5.108 1.00 0.00 C ATOM 598 CD2 TYR A 39 -1.880 3.232 7.316 1.00 0.00 C ATOM 599 CE1 TYR A 39 -1.560 1.787 4.919 1.00 0.00 C ATOM 600 CE2 TYR A 39 -0.779 2.361 7.153 1.00 0.00 C ATOM 601 CZ TYR A 39 -0.617 1.648 5.949 1.00 0.00 C ATOM 602 OH TYR A 39 0.437 0.805 5.789 1.00 0.00 O ATOM 0 H TYR A 39 -5.509 5.421 4.733 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.664 6.474 6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.252 4.477 7.433 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.852 3.925 5.882 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.415 2.684 4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.990 3.798 8.229 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.429 1.257 3.987 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.062 2.242 7.952 1.00 0.00 H new ATOM 0 HH TYR A 39 0.997 0.825 6.593 1.00 0.00 H new ATOM 612 N TYR A 40 -2.358 5.463 3.760 1.00 0.00 N ATOM 613 CA TYR A 40 -1.248 5.610 2.821 1.00 0.00 C ATOM 614 C TYR A 40 -0.832 7.068 2.756 1.00 0.00 C ATOM 615 O TYR A 40 0.296 7.409 3.113 1.00 0.00 O ATOM 616 CB TYR A 40 -1.818 5.147 1.469 1.00 0.00 C ATOM 617 CG TYR A 40 -1.115 5.446 0.167 1.00 0.00 C ATOM 618 CD1 TYR A 40 0.244 5.827 0.068 1.00 0.00 C ATOM 619 CD2 TYR A 40 -1.906 5.385 -0.988 1.00 0.00 C ATOM 620 CE1 TYR A 40 0.776 6.177 -1.183 1.00 0.00 C ATOM 621 CE2 TYR A 40 -1.355 5.681 -2.237 1.00 0.00 C ATOM 622 CZ TYR A 40 -0.025 6.102 -2.333 1.00 0.00 C ATOM 623 OH TYR A 40 0.454 6.492 -3.540 1.00 0.00 O ATOM 0 H TYR A 40 -3.189 5.077 3.311 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.368 5.035 3.108 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.928 4.064 1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.821 5.565 1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.868 5.848 0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.947 5.108 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.802 6.504 -1.261 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.956 5.585 -3.129 1.00 0.00 H new ATOM 0 HH TYR A 40 1.019 7.285 -3.427 1.00 0.00 H new ATOM 633 N LYS A 41 -1.766 7.962 2.435 1.00 0.00 N ATOM 634 CA LYS A 41 -1.448 9.385 2.354 1.00 0.00 C ATOM 635 C LYS A 41 -0.973 9.983 3.692 1.00 0.00 C ATOM 636 O LYS A 41 -0.072 10.819 3.692 1.00 0.00 O ATOM 637 CB LYS A 41 -2.639 10.140 1.783 1.00 0.00 C ATOM 638 CG LYS A 41 -3.055 9.581 0.410 1.00 0.00 C ATOM 639 CD LYS A 41 -2.643 10.442 -0.787 1.00 0.00 C ATOM 640 CE LYS A 41 -1.129 10.458 -0.880 1.00 0.00 C ATOM 641 NZ LYS A 41 -0.611 11.614 -1.651 1.00 0.00 N ATOM 0 H LYS A 41 -2.738 7.729 2.229 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.598 9.495 1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.479 10.073 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.389 11.197 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.621 8.588 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.138 9.459 0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.073 10.042 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.025 11.456 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.708 10.480 0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.789 9.534 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.428 11.573 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.988 11.582 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.909 12.499 -1.193 1.00 0.00 H new ATOM 655 N LYS A 42 -1.530 9.528 4.819 1.00 0.00 N ATOM 656 CA LYS A 42 -1.223 9.858 6.206 1.00 0.00 C ATOM 657 C LYS A 42 0.174 9.368 6.639 1.00 0.00 C ATOM 658 O LYS A 42 0.905 10.073 7.332 1.00 0.00 O ATOM 659 CB LYS A 42 -2.334 9.142 6.988 1.00 0.00 C ATOM 660 CG LYS A 42 -3.722 9.778 6.889 1.00 0.00 C ATOM 661 CD LYS A 42 -3.918 11.063 7.679 1.00 0.00 C ATOM 662 CE LYS A 42 -5.270 11.613 7.216 1.00 0.00 C ATOM 663 NZ LYS A 42 -5.444 13.038 7.568 1.00 0.00 N ATOM 0 H LYS A 42 -2.288 8.847 4.771 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.193 10.934 6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.399 8.113 6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.046 9.100 8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.933 9.983 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.460 9.050 7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.917 10.870 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.115 11.773 7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.358 11.494 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.072 11.029 7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.373 13.367 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.387 13.150 8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.695 13.601 7.117 1.00 0.00 H new ATOM 677 N ARG A 43 0.554 8.169 6.207 1.00 0.00 N ATOM 678 CA ARG A 43 1.840 7.516 6.477 1.00 0.00 C ATOM 679 C ARG A 43 3.045 8.143 5.778 1.00 0.00 C ATOM 680 O ARG A 43 4.103 8.302 6.371 1.00 0.00 O ATOM 681 CB ARG A 43 1.684 6.055 6.042 1.00 0.00 C ATOM 682 CG ARG A 43 2.984 5.251 5.975 1.00 0.00 C ATOM 683 CD ARG A 43 2.730 3.845 5.415 1.00 0.00 C ATOM 684 NE ARG A 43 3.992 3.109 5.222 1.00 0.00 N ATOM 685 CZ ARG A 43 4.621 2.353 6.105 1.00 0.00 C ATOM 686 NH1 ARG A 43 4.224 2.233 7.341 1.00 0.00 N ATOM 687 NH2 ARG A 43 5.691 1.692 5.764 1.00 0.00 N ATOM 0 H ARG A 43 -0.056 7.593 5.628 1.00 0.00 H new ATOM 0 HA ARG A 43 2.057 7.628 7.539 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.004 5.558 6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.212 6.034 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.707 5.772 5.347 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.422 5.177 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.084 3.291 6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.201 3.920 4.465 1.00 0.00 H new ATOM 0 HE ARG A 43 4.429 3.192 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.396 2.735 7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.742 1.638 7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.048 1.756 4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.172 1.110 6.450 1.00 0.00 H new ATOM 701 N VAL A 44 2.902 8.453 4.493 1.00 0.00 N ATOM 702 CA VAL A 44 3.938 8.846 3.537 1.00 0.00 C ATOM 703 C VAL A 44 4.913 9.895 4.052 1.00 0.00 C ATOM 704 O VAL A 44 6.114 9.831 3.801 1.00 0.00 O ATOM 705 CB VAL A 44 3.128 9.335 2.328 1.00 0.00 C ATOM 706 CG1 VAL A 44 3.764 10.315 1.383 1.00 0.00 C ATOM 707 CG2 VAL A 44 2.747 8.117 1.510 1.00 0.00 C ATOM 0 H VAL A 44 1.981 8.435 4.054 1.00 0.00 H new ATOM 0 HA VAL A 44 4.606 8.016 3.308 1.00 0.00 H new ATOM 0 HB VAL A 44 2.304 9.889 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.062 10.559 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.028 11.223 1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.663 9.874 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.169 8.429 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.650 7.603 1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.148 7.441 2.121 1.00 0.00 H new ATOM 717 N LYS A 45 4.355 10.838 4.800 1.00 0.00 N ATOM 718 CA LYS A 45 5.047 11.922 5.494 1.00 0.00 C ATOM 719 C LYS A 45 5.682 11.566 6.861 1.00 0.00 C ATOM 720 O LYS A 45 6.714 12.110 7.265 1.00 0.00 O ATOM 721 CB LYS A 45 4.011 13.029 5.643 1.00 0.00 C ATOM 722 CG LYS A 45 2.994 12.648 6.718 1.00 0.00 C ATOM 723 CD LYS A 45 1.667 13.410 6.664 1.00 0.00 C ATOM 724 CE LYS A 45 0.813 12.781 5.566 1.00 0.00 C ATOM 725 NZ LYS A 45 0.771 13.585 4.318 1.00 0.00 N ATOM 0 H LYS A 45 3.346 10.870 4.949 1.00 0.00 H new ATOM 0 HA LYS A 45 5.917 12.209 4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.502 13.965 5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.504 13.195 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.785 11.581 6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.447 12.809 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.155 13.355 7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.841 14.466 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.202 11.789 5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.203 12.647 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.698 12.950 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.054 14.218 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.640 14.152 4.241 1.00 0.00 H new ATOM 739 N GLU A 46 5.010 10.658 7.584 1.00 0.00 N ATOM 740 CA GLU A 46 5.291 10.117 8.932 1.00 0.00 C ATOM 741 C GLU A 46 6.432 9.110 8.916 1.00 0.00 C ATOM 742 O GLU A 46 7.035 8.798 9.945 1.00 0.00 O ATOM 743 CB GLU A 46 4.005 9.493 9.472 1.00 0.00 C ATOM 744 CG GLU A 46 3.996 9.355 10.985 1.00 0.00 C ATOM 745 CD GLU A 46 4.075 10.697 11.710 1.00 0.00 C ATOM 746 OE1 GLU A 46 3.070 11.446 11.698 1.00 0.00 O ATOM 747 OE2 GLU A 46 5.125 10.982 12.333 1.00 0.00 O ATOM 0 H GLU A 46 4.164 10.236 7.201 1.00 0.00 H new ATOM 0 HA GLU A 46 5.615 10.927 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.156 10.103 9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.870 8.509 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.087 8.837 11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.837 8.733 11.292 1.00 0.00 H new ATOM 754 N THR A 47 6.743 8.637 7.715 1.00 0.00 N ATOM 755 CA THR A 47 7.864 7.749 7.423 1.00 0.00 C ATOM 756 C THR A 47 8.405 8.046 6.008 1.00 0.00 C ATOM 757 O THR A 47 8.483 9.218 5.628 1.00 0.00 O ATOM 758 CB THR A 47 7.478 6.280 7.711 1.00 0.00 C ATOM 759 OG1 THR A 47 8.538 5.367 7.495 1.00 0.00 O ATOM 760 CG2 THR A 47 6.245 5.808 6.940 1.00 0.00 C ATOM 0 H THR A 47 6.200 8.871 6.884 1.00 0.00 H new ATOM 0 HA THR A 47 8.705 7.937 8.091 1.00 0.00 H new ATOM 0 HB THR A 47 7.236 6.284 8.774 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.232 4.458 7.695 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.034 4.769 7.192 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.389 6.427 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.432 5.891 5.869 1.00 0.00 H new ATOM 768 N GLU A 48 8.858 7.047 5.242 1.00 0.00 N ATOM 769 CA GLU A 48 9.736 7.198 4.075 1.00 0.00 C ATOM 770 C GLU A 48 9.208 6.475 2.857 1.00 0.00 C ATOM 771 O GLU A 48 9.852 5.595 2.287 1.00 0.00 O ATOM 772 CB GLU A 48 11.181 6.831 4.391 1.00 0.00 C ATOM 773 CG GLU A 48 11.648 7.560 5.643 1.00 0.00 C ATOM 774 CD GLU A 48 13.145 7.371 5.852 1.00 0.00 C ATOM 775 OE1 GLU A 48 13.927 8.199 5.334 1.00 0.00 O ATOM 776 OE2 GLU A 48 13.533 6.413 6.555 1.00 0.00 O ATOM 0 H GLU A 48 8.614 6.074 5.425 1.00 0.00 H new ATOM 0 HA GLU A 48 9.735 8.258 3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.267 5.754 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.822 7.092 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.419 8.622 5.557 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.105 7.186 6.511 1.00 0.00 H new ATOM 783 N LEU A 49 7.991 6.855 2.462 1.00 0.00 N ATOM 784 CA LEU A 49 7.450 6.440 1.182 1.00 0.00 C ATOM 785 C LEU A 49 8.210 7.089 0.008 1.00 0.00 C ATOM 786 O LEU A 49 7.855 8.145 -0.517 1.00 0.00 O ATOM 787 CB LEU A 49 5.919 6.582 1.109 1.00 0.00 C ATOM 788 CG LEU A 49 5.418 5.757 -0.095 1.00 0.00 C ATOM 789 CD1 LEU A 49 4.217 4.871 0.129 1.00 0.00 C ATOM 790 CD2 LEU A 49 5.070 6.476 -1.382 1.00 0.00 C ATOM 0 H LEU A 49 7.370 7.447 3.013 1.00 0.00 H new ATOM 0 HA LEU A 49 7.622 5.368 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.459 6.227 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.639 7.629 0.996 1.00 0.00 H new ATOM 0 HG LEU A 49 6.347 5.197 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.972 4.349 -0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.443 4.142 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.368 5.481 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.736 5.751 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.273 7.196 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.950 6.999 -1.756 1.00 0.00 H new ATOM 802 N LYS A 50 9.285 6.409 -0.376 1.00 0.00 N ATOM 803 CA LYS A 50 9.906 6.491 -1.700 1.00 0.00 C ATOM 804 C LYS A 50 8.886 6.388 -2.844 1.00 0.00 C ATOM 805 O LYS A 50 7.782 5.870 -2.688 1.00 0.00 O ATOM 806 CB LYS A 50 11.016 5.415 -1.815 1.00 0.00 C ATOM 807 CG LYS A 50 10.645 4.050 -2.447 1.00 0.00 C ATOM 808 CD LYS A 50 10.552 2.916 -1.437 1.00 0.00 C ATOM 809 CE LYS A 50 9.524 3.266 -0.361 1.00 0.00 C ATOM 810 NZ LYS A 50 9.280 2.158 0.598 1.00 0.00 N ATOM 0 H LYS A 50 9.768 5.761 0.246 1.00 0.00 H new ATOM 0 HA LYS A 50 10.356 7.479 -1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.834 5.840 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.402 5.225 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.689 4.146 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.389 3.794 -3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.266 1.992 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.526 2.743 -0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.866 4.144 0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.583 3.536 -0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.695 2.503 1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.785 1.382 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.189 1.812 0.967 1.00 0.00 H new ATOM 824 N ASP A 51 9.325 6.735 -4.049 1.00 0.00 N ATOM 825 CA ASP A 51 8.482 6.768 -5.258 1.00 0.00 C ATOM 826 C ASP A 51 7.914 5.400 -5.648 1.00 0.00 C ATOM 827 O ASP A 51 6.783 5.293 -6.092 1.00 0.00 O ATOM 828 CB ASP A 51 9.286 7.326 -6.438 1.00 0.00 C ATOM 829 CG ASP A 51 9.788 8.770 -6.216 1.00 0.00 C ATOM 830 OD1 ASP A 51 8.999 9.726 -6.424 1.00 0.00 O ATOM 831 OD2 ASP A 51 10.973 8.948 -5.840 1.00 0.00 O ATOM 0 H ASP A 51 10.292 7.007 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 51 7.635 7.412 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 51 10.142 6.677 -6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.666 7.299 -7.334 1.00 0.00 H new ATOM 836 N THR A 52 8.683 4.339 -5.428 1.00 0.00 N ATOM 837 CA THR A 52 8.433 2.956 -5.884 1.00 0.00 C ATOM 838 C THR A 52 7.148 2.376 -5.317 1.00 0.00 C ATOM 839 O THR A 52 6.377 1.727 -6.027 1.00 0.00 O ATOM 840 CB THR A 52 9.556 2.089 -5.300 1.00 0.00 C ATOM 841 OG1 THR A 52 10.808 2.459 -5.824 1.00 0.00 O ATOM 842 CG2 THR A 52 9.382 0.576 -5.422 1.00 0.00 C ATOM 0 H THR A 52 9.550 4.414 -4.897 1.00 0.00 H new ATOM 0 HA THR A 52 8.376 2.967 -6.972 1.00 0.00 H new ATOM 0 HB THR A 52 9.499 2.297 -4.232 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.506 1.892 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.239 0.074 -4.973 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.472 0.272 -4.905 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.311 0.302 -6.475 1.00 0.00 H new ATOM 850 N ASP A 53 6.945 2.591 -4.011 1.00 0.00 N ATOM 851 CA ASP A 53 5.741 2.150 -3.323 1.00 0.00 C ATOM 852 C ASP A 53 4.547 2.833 -3.956 1.00 0.00 C ATOM 853 O ASP A 53 3.608 2.172 -4.392 1.00 0.00 O ATOM 854 CB ASP A 53 5.882 2.547 -1.845 1.00 0.00 C ATOM 855 CG ASP A 53 4.946 1.855 -0.832 1.00 0.00 C ATOM 856 OD1 ASP A 53 3.817 1.473 -1.208 1.00 0.00 O ATOM 857 OD2 ASP A 53 5.368 1.726 0.342 1.00 0.00 O ATOM 0 H ASP A 53 7.612 3.074 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 53 5.602 1.072 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.910 2.353 -1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.725 3.623 -1.769 1.00 0.00 H new ATOM 862 N ASP A 54 4.688 4.148 -4.142 1.00 0.00 N ATOM 863 CA ASP A 54 3.567 5.054 -4.393 1.00 0.00 C ATOM 864 C ASP A 54 2.845 4.657 -5.651 1.00 0.00 C ATOM 865 O ASP A 54 1.641 4.493 -5.656 1.00 0.00 O ATOM 866 CB ASP A 54 4.183 6.457 -4.661 1.00 0.00 C ATOM 867 CG ASP A 54 3.173 7.614 -4.614 1.00 0.00 C ATOM 868 OD1 ASP A 54 2.669 7.931 -3.514 1.00 0.00 O ATOM 869 OD2 ASP A 54 2.871 8.208 -5.676 1.00 0.00 O ATOM 0 H ASP A 54 5.593 4.617 -4.122 1.00 0.00 H new ATOM 0 HA ASP A 54 2.879 5.035 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.965 6.643 -3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.662 6.449 -5.640 1.00 0.00 H new ATOM 874 N ILE A 55 3.605 4.400 -6.696 1.00 0.00 N ATOM 875 CA ILE A 55 3.074 3.857 -7.952 1.00 0.00 C ATOM 876 C ILE A 55 2.562 2.436 -7.954 1.00 0.00 C ATOM 877 O ILE A 55 1.470 2.171 -8.460 1.00 0.00 O ATOM 878 CB ILE A 55 4.189 3.816 -9.035 1.00 0.00 C ATOM 879 CG1 ILE A 55 5.580 4.105 -8.459 1.00 0.00 C ATOM 880 CG2 ILE A 55 3.682 4.641 -10.219 1.00 0.00 C ATOM 881 CD1 ILE A 55 6.705 3.522 -9.285 1.00 0.00 C ATOM 0 H ILE A 55 4.613 4.559 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 55 2.237 4.532 -8.131 1.00 0.00 H new ATOM 0 HB ILE A 55 4.376 2.817 -9.430 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.717 5.184 -8.383 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.637 3.704 -7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.433 4.643 -11.009 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.758 4.204 -10.597 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.494 5.665 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.661 3.764 -8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.592 2.439 -9.340 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.674 3.942 -10.290 1.00 0.00 H new ATOM 893 N SER A 56 3.348 1.532 -7.371 1.00 0.00 N ATOM 894 CA SER A 56 3.019 0.121 -7.475 1.00 0.00 C ATOM 895 C SER A 56 1.703 -0.152 -6.760 1.00 0.00 C ATOM 896 O SER A 56 0.767 -0.752 -7.295 1.00 0.00 O ATOM 897 CB SER A 56 4.185 -0.714 -6.943 1.00 0.00 C ATOM 898 OG SER A 56 4.911 -1.289 -8.017 1.00 0.00 O ATOM 0 H SER A 56 4.191 1.746 -6.838 1.00 0.00 H new ATOM 0 HA SER A 56 2.873 -0.167 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.845 -0.088 -6.343 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.809 -1.500 -6.288 1.00 0.00 H new ATOM 0 HG SER A 56 5.655 -1.819 -7.662 1.00 0.00 H new ATOM 904 N VAL A 57 1.668 0.351 -5.527 1.00 0.00 N ATOM 905 CA VAL A 57 0.528 0.378 -4.638 1.00 0.00 C ATOM 906 C VAL A 57 -0.583 1.294 -5.101 1.00 0.00 C ATOM 907 O VAL A 57 -1.685 0.804 -5.237 1.00 0.00 O ATOM 908 CB VAL A 57 0.993 0.672 -3.210 1.00 0.00 C ATOM 909 CG1 VAL A 57 0.888 2.110 -2.786 1.00 0.00 C ATOM 910 CG2 VAL A 57 0.225 -0.150 -2.189 1.00 0.00 C ATOM 0 H VAL A 57 2.493 0.776 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 57 0.073 -0.612 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 57 2.049 0.403 -3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.241 2.214 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.498 2.729 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.152 2.432 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.584 0.087 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.837 0.084 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.377 -1.211 -2.388 1.00 0.00 H new ATOM 920 N ARG A 58 -0.323 2.536 -5.540 1.00 0.00 N ATOM 921 CA ARG A 58 -1.466 3.366 -6.010 1.00 0.00 C ATOM 922 C ARG A 58 -2.177 2.755 -7.191 1.00 0.00 C ATOM 923 O ARG A 58 -3.394 2.784 -7.262 1.00 0.00 O ATOM 924 CB ARG A 58 -1.085 4.744 -6.526 1.00 0.00 C ATOM 925 CG ARG A 58 -2.261 5.659 -6.908 1.00 0.00 C ATOM 926 CD ARG A 58 -3.147 6.056 -5.724 1.00 0.00 C ATOM 927 NE ARG A 58 -4.192 7.012 -6.130 1.00 0.00 N ATOM 928 CZ ARG A 58 -4.914 7.764 -5.321 1.00 0.00 C ATOM 929 NH1 ARG A 58 -4.798 7.713 -4.025 1.00 0.00 N ATOM 930 NH2 ARG A 58 -5.787 8.602 -5.801 1.00 0.00 N ATOM 0 H ARG A 58 0.598 2.973 -5.583 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.076 3.429 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.490 5.246 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.445 4.621 -7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.869 6.562 -7.375 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.874 5.154 -7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.611 5.165 -5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.532 6.498 -4.940 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.374 7.101 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.128 7.073 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.377 8.313 -3.437 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.917 8.681 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.341 9.179 -5.169 1.00 0.00 H new ATOM 944 N ASP A 59 -1.420 2.218 -8.130 1.00 0.00 N ATOM 945 CA ASP A 59 -2.021 1.783 -9.383 1.00 0.00 C ATOM 946 C ASP A 59 -2.904 0.550 -9.162 1.00 0.00 C ATOM 947 O ASP A 59 -3.809 0.258 -9.935 1.00 0.00 O ATOM 948 CB ASP A 59 -0.917 1.459 -10.394 1.00 0.00 C ATOM 949 CG ASP A 59 -1.447 1.141 -11.807 1.00 0.00 C ATOM 950 OD1 ASP A 59 -1.959 2.066 -12.486 1.00 0.00 O ATOM 951 OD2 ASP A 59 -1.325 -0.028 -12.251 1.00 0.00 O ATOM 0 H ASP A 59 -0.413 2.074 -8.056 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.646 2.588 -9.770 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.232 2.304 -10.454 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.342 0.607 -10.031 1.00 0.00 H new ATOM 956 N ALA A 60 -2.521 -0.216 -8.144 1.00 0.00 N ATOM 957 CA ALA A 60 -3.234 -1.296 -7.469 1.00 0.00 C ATOM 958 C ALA A 60 -4.414 -0.895 -6.588 1.00 0.00 C ATOM 959 O ALA A 60 -5.432 -1.564 -6.546 1.00 0.00 O ATOM 960 CB ALA A 60 -2.212 -2.085 -6.678 1.00 0.00 C ATOM 0 H ALA A 60 -1.601 -0.079 -7.726 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.713 -1.886 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.708 -2.904 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.460 -2.489 -7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.731 -1.431 -5.950 1.00 0.00 H new ATOM 966 N LEU A 61 -4.251 0.176 -5.825 1.00 0.00 N ATOM 967 CA LEU A 61 -5.204 0.775 -4.911 1.00 0.00 C ATOM 968 C LEU A 61 -6.328 1.438 -5.677 1.00 0.00 C ATOM 969 O LEU A 61 -7.475 1.035 -5.574 1.00 0.00 O ATOM 970 CB LEU A 61 -4.358 1.829 -4.193 1.00 0.00 C ATOM 971 CG LEU A 61 -4.983 2.453 -2.974 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.879 2.638 -1.938 1.00 0.00 C ATOM 973 CD2 LEU A 61 -5.732 3.744 -3.253 1.00 0.00 C ATOM 0 H LEU A 61 -3.370 0.691 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.674 0.057 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.414 1.371 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.121 2.622 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.757 1.785 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.297 3.089 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.446 1.669 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.104 3.288 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.152 4.129 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.046 4.479 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.537 3.552 -3.963 1.00 0.00 H new ATOM 985 N ALA A 62 -5.960 2.289 -6.631 1.00 0.00 N ATOM 986 CA ALA A 62 -6.834 2.686 -7.729 1.00 0.00 C ATOM 987 C ALA A 62 -7.292 1.512 -8.605 1.00 0.00 C ATOM 988 O ALA A 62 -8.384 1.525 -9.182 1.00 0.00 O ATOM 989 CB ALA A 62 -6.206 3.820 -8.530 1.00 0.00 C ATOM 0 H ALA A 62 -5.039 2.726 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.755 3.064 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.873 4.103 -9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.044 4.679 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.251 3.491 -8.940 1.00 0.00 H new ATOM 995 N GLY A 63 -6.428 0.503 -8.695 1.00 0.00 N ATOM 996 CA GLY A 63 -6.606 -0.743 -9.435 1.00 0.00 C ATOM 997 C GLY A 63 -7.859 -1.444 -8.945 1.00 0.00 C ATOM 998 O GLY A 63 -8.766 -1.757 -9.713 1.00 0.00 O ATOM 0 H GLY A 63 -5.525 0.537 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.685 -0.537 -10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.738 -1.388 -9.298 1.00 0.00 H new ATOM 1002 N LYS A 64 -7.876 -1.663 -7.628 1.00 0.00 N ATOM 1003 CA LYS A 64 -8.971 -2.185 -6.840 1.00 0.00 C ATOM 1004 C LYS A 64 -10.156 -1.230 -6.696 1.00 0.00 C ATOM 1005 O LYS A 64 -11.283 -1.678 -6.603 1.00 0.00 O ATOM 1006 CB LYS A 64 -8.457 -2.845 -5.562 1.00 0.00 C ATOM 1007 CG LYS A 64 -9.441 -3.935 -5.104 1.00 0.00 C ATOM 1008 CD LYS A 64 -9.207 -5.297 -5.780 1.00 0.00 C ATOM 1009 CE LYS A 64 -10.246 -6.312 -5.294 1.00 0.00 C ATOM 1010 NZ LYS A 64 -9.955 -7.682 -5.781 1.00 0.00 N ATOM 0 H LYS A 64 -7.059 -1.462 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.436 -2.994 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.474 -3.281 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.339 -2.097 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.360 -4.056 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.459 -3.605 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.271 -5.190 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.203 -5.656 -5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.270 -6.312 -4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.236 -6.009 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.805 -8.273 -5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.674 -7.642 -6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.182 -8.093 -5.220 1.00 0.00 H new ATOM 1024 N ARG A 65 -9.955 0.077 -6.619 1.00 0.00 N ATOM 1025 CA ARG A 65 -10.997 1.029 -6.250 1.00 0.00 C ATOM 1026 C ARG A 65 -12.180 0.874 -7.182 1.00 0.00 C ATOM 1027 O ARG A 65 -13.271 0.593 -6.727 1.00 0.00 O ATOM 1028 CB ARG A 65 -10.430 2.442 -6.260 1.00 0.00 C ATOM 1029 CG ARG A 65 -11.057 3.433 -5.263 1.00 0.00 C ATOM 1030 CD ARG A 65 -9.866 4.129 -4.585 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.228 5.379 -3.904 1.00 0.00 N ATOM 1032 CZ ARG A 65 -9.531 6.503 -3.862 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -8.455 6.702 -4.575 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -9.899 7.468 -3.071 1.00 0.00 N ATOM 0 H ARG A 65 -9.054 0.513 -6.813 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.350 0.829 -5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.360 2.383 -6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.543 2.849 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.696 4.154 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.679 2.916 -4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.420 3.446 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.104 4.341 -5.335 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.118 5.381 -3.407 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.116 5.972 -5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.954 7.588 -4.506 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.725 7.358 -2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.361 8.334 -3.039 1.00 0.00 H new ATOM 1048 N ALA A 66 -11.923 0.819 -8.481 1.00 0.00 N ATOM 1049 CA ALA A 66 -12.988 0.581 -9.468 1.00 0.00 C ATOM 1050 C ALA A 66 -13.717 -0.755 -9.256 1.00 0.00 C ATOM 1051 O ALA A 66 -14.921 -0.853 -9.502 1.00 0.00 O ATOM 1052 CB ALA A 66 -12.417 0.571 -10.876 1.00 0.00 C ATOM 0 H ALA A 66 -10.993 0.934 -8.883 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.700 1.395 -9.334 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.219 0.394 -11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.949 1.533 -11.086 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.673 -0.221 -10.961 1.00 0.00 H new ATOM 1058 N GLU A 67 -12.979 -1.788 -8.839 1.00 0.00 N ATOM 1059 CA GLU A 67 -13.497 -3.134 -8.597 1.00 0.00 C ATOM 1060 C GLU A 67 -14.435 -3.138 -7.418 1.00 0.00 C ATOM 1061 O GLU A 67 -15.461 -3.802 -7.378 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.354 -4.071 -8.234 1.00 0.00 C ATOM 1063 CG GLU A 67 -11.175 -3.968 -9.172 1.00 0.00 C ATOM 1064 CD GLU A 67 -11.462 -4.579 -10.537 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -11.482 -5.827 -10.642 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -11.656 -3.818 -11.511 1.00 0.00 O ATOM 0 H GLU A 67 -11.979 -1.707 -8.656 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.009 -3.454 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.022 -3.852 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.721 -5.097 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.904 -2.920 -9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.315 -4.469 -8.727 1.00 0.00 H new ATOM 1073 N LEU A 68 -13.929 -2.498 -6.373 1.00 0.00 N ATOM 1074 CA LEU A 68 -14.550 -2.361 -5.088 1.00 0.00 C ATOM 1075 C LEU A 68 -15.807 -1.504 -5.077 1.00 0.00 C ATOM 1076 O LEU A 68 -16.715 -1.687 -4.285 1.00 0.00 O ATOM 1077 CB LEU A 68 -13.480 -2.041 -4.101 1.00 0.00 C ATOM 1078 CG LEU A 68 -12.872 -3.333 -3.598 1.00 0.00 C ATOM 1079 CD1 LEU A 68 -11.752 -2.886 -2.735 1.00 0.00 C ATOM 1080 CD2 LEU A 68 -13.788 -4.055 -2.614 1.00 0.00 C ATOM 0 H LEU A 68 -13.020 -2.038 -6.415 1.00 0.00 H new ATOM 0 HA LEU A 68 -14.999 -3.304 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.714 -1.420 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -13.893 -1.470 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.639 -3.978 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.244 -3.756 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.047 -2.302 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.141 -2.271 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.310 -4.976 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.977 -3.412 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.732 -4.293 -3.104 1.00 0.00 H new ATOM 1092 N GLU A 69 -15.799 -0.516 -5.962 1.00 0.00 N ATOM 1093 CA GLU A 69 -16.853 0.397 -6.342 1.00 0.00 C ATOM 1094 C GLU A 69 -17.898 -0.275 -7.239 1.00 0.00 C ATOM 1095 O GLU A 69 -19.094 0.008 -7.164 1.00 0.00 O ATOM 1096 CB GLU A 69 -16.127 1.473 -7.124 1.00 0.00 C ATOM 1097 CG GLU A 69 -15.757 2.751 -6.368 1.00 0.00 C ATOM 1098 CD GLU A 69 -15.546 3.898 -7.348 1.00 0.00 C ATOM 1099 OE1 GLU A 69 -16.549 4.555 -7.709 1.00 0.00 O ATOM 1100 OE2 GLU A 69 -14.384 4.158 -7.737 1.00 0.00 O ATOM 0 H GLU A 69 -14.949 -0.318 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.398 0.770 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.211 1.040 -7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.749 1.751 -7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -16.547 3.007 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.850 2.588 -5.786 1.00 0.00 H new ATOM 1107 N ASP A 70 -17.427 -1.240 -8.038 1.00 0.00 N ATOM 1108 CA ASP A 70 -18.250 -2.303 -8.646 1.00 0.00 C ATOM 1109 C ASP A 70 -18.681 -3.351 -7.606 1.00 0.00 C ATOM 1110 O ASP A 70 -19.598 -4.134 -7.855 1.00 0.00 O ATOM 1111 CB ASP A 70 -17.507 -2.954 -9.840 1.00 0.00 C ATOM 1112 CG ASP A 70 -17.628 -2.205 -11.188 1.00 0.00 C ATOM 1113 OD1 ASP A 70 -18.647 -1.518 -11.449 1.00 0.00 O ATOM 1114 OD2 ASP A 70 -16.721 -2.365 -12.042 1.00 0.00 O ATOM 0 H ASP A 70 -16.441 -1.309 -8.288 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.162 -1.844 -9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.451 -3.039 -9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.886 -3.967 -9.972 1.00 0.00 H new ATOM 1119 N SER A 71 -18.085 -3.287 -6.410 1.00 0.00 N ATOM 1120 CA SER A 71 -18.449 -4.092 -5.222 1.00 0.00 C ATOM 1121 C SER A 71 -19.062 -3.241 -4.072 1.00 0.00 C ATOM 1122 O SER A 71 -18.992 -3.606 -2.889 1.00 0.00 O ATOM 1123 CB SER A 71 -17.229 -4.913 -4.758 1.00 0.00 C ATOM 1124 OG SER A 71 -17.609 -6.078 -4.045 1.00 0.00 O ATOM 0 H SER A 71 -17.307 -2.653 -6.229 1.00 0.00 H new ATOM 0 HA SER A 71 -19.242 -4.780 -5.515 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.633 -5.198 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.594 -4.292 -4.125 1.00 0.00 H new ATOM 0 HG SER A 71 -16.807 -6.570 -3.771 1.00 0.00 H new ATOM 1130 N ASP A 72 -19.643 -2.074 -4.405 1.00 0.00 N ATOM 1131 CA ASP A 72 -20.129 -1.059 -3.447 1.00 0.00 C ATOM 1132 C ASP A 72 -21.256 -1.564 -2.511 1.00 0.00 C ATOM 1133 O ASP A 72 -21.515 -0.975 -1.458 1.00 0.00 O ATOM 1134 CB ASP A 72 -20.587 0.190 -4.226 1.00 0.00 C ATOM 1135 CG ASP A 72 -21.124 1.337 -3.345 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -20.312 1.989 -2.639 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -22.347 1.619 -3.391 1.00 0.00 O ATOM 0 H ASP A 72 -19.793 -1.801 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.295 -0.816 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.748 0.563 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.365 -0.103 -4.931 1.00 0.00 H new ATOM 1142 N ASP A 73 -21.901 -2.674 -2.883 1.00 0.00 N ATOM 1143 CA ASP A 73 -23.013 -3.347 -2.187 1.00 0.00 C ATOM 1144 C ASP A 73 -22.674 -4.828 -1.943 1.00 0.00 C ATOM 1145 O ASP A 73 -22.232 -5.522 -2.864 1.00 0.00 O ATOM 1146 CB ASP A 73 -24.277 -3.183 -3.033 1.00 0.00 C ATOM 1147 CG ASP A 73 -25.552 -3.754 -2.383 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -25.729 -4.999 -2.380 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -26.405 -2.949 -1.926 1.00 0.00 O ATOM 0 H ASP A 73 -21.645 -3.165 -3.740 1.00 0.00 H new ATOM 0 HA ASP A 73 -23.180 -2.897 -1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -24.430 -2.123 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -24.123 -3.672 -3.995 1.00 0.00 H new ATOM 1154 N GLU A 74 -22.834 -5.299 -0.702 1.00 0.00 N ATOM 1155 CA GLU A 74 -22.157 -6.514 -0.175 1.00 0.00 C ATOM 1156 C GLU A 74 -23.058 -7.441 0.634 1.00 0.00 C ATOM 1157 O GLU A 74 -23.721 -6.998 1.570 1.00 0.00 O ATOM 1158 CB GLU A 74 -20.918 -6.148 0.629 1.00 0.00 C ATOM 1159 CG GLU A 74 -19.739 -6.127 -0.335 1.00 0.00 C ATOM 1160 CD GLU A 74 -19.238 -7.534 -0.657 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -18.520 -8.105 0.190 1.00 0.00 O ATOM 1162 OE2 GLU A 74 -19.566 -8.075 -1.735 1.00 0.00 O ATOM 0 H GLU A 74 -23.443 -4.850 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.866 -7.079 -1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.043 -5.175 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -20.750 -6.873 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -20.034 -5.627 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.927 -5.543 0.098 1.00 0.00 H new ATOM 1169 N VAL A 75 -23.062 -8.728 0.284 1.00 0.00 N ATOM 1170 CA VAL A 75 -24.013 -9.801 0.694 1.00 0.00 C ATOM 1171 C VAL A 75 -25.483 -9.525 0.353 1.00 0.00 C ATOM 1172 O VAL A 75 -26.155 -10.305 -0.327 1.00 0.00 O ATOM 1173 CB VAL A 75 -23.863 -10.158 2.195 1.00 0.00 C ATOM 1174 CG1 VAL A 75 -25.037 -10.971 2.766 1.00 0.00 C ATOM 1175 CG2 VAL A 75 -22.574 -10.956 2.427 1.00 0.00 C ATOM 0 H VAL A 75 -22.347 -9.093 -0.345 1.00 0.00 H new ATOM 0 HA VAL A 75 -23.726 -10.661 0.089 1.00 0.00 H new ATOM 0 HB VAL A 75 -23.840 -9.201 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -24.856 -11.180 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -25.960 -10.400 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -25.129 -11.910 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -22.482 -11.199 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -22.606 -11.877 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -21.716 -10.360 2.116 1.00 0.00 H new ATOM 1185 N GLU A 76 -25.961 -8.400 0.859 1.00 0.00 N ATOM 1186 CA GLU A 76 -27.340 -7.912 0.884 1.00 0.00 C ATOM 1187 C GLU A 76 -27.427 -6.384 0.777 1.00 0.00 C ATOM 1188 O GLU A 76 -28.297 -5.872 0.070 1.00 0.00 O ATOM 1189 CB GLU A 76 -28.035 -8.397 2.166 1.00 0.00 C ATOM 1190 CG GLU A 76 -27.543 -7.742 3.460 1.00 0.00 C ATOM 1191 CD GLU A 76 -28.290 -8.335 4.648 1.00 0.00 C ATOM 1192 OE1 GLU A 76 -29.391 -7.833 4.970 1.00 0.00 O ATOM 1193 OE2 GLU A 76 -27.779 -9.305 5.255 1.00 0.00 O ATOM 0 H GLU A 76 -25.333 -7.735 1.309 1.00 0.00 H new ATOM 0 HA GLU A 76 -27.848 -8.318 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -29.106 -8.217 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -27.899 -9.475 2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -26.471 -7.901 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -27.703 -6.665 3.418 1.00 0.00 H new ATOM 1200 N GLU A 77 -26.507 -5.688 1.468 1.00 0.00 N ATOM 1201 CA GLU A 77 -26.332 -4.229 1.547 1.00 0.00 C ATOM 1202 C GLU A 77 -24.889 -3.898 1.927 1.00 0.00 C ATOM 1203 O GLU A 77 -24.184 -3.208 1.196 1.00 0.00 O ATOM 1204 CB GLU A 77 -27.236 -3.556 2.597 1.00 0.00 C ATOM 1205 CG GLU A 77 -28.704 -3.543 2.205 1.00 0.00 C ATOM 1206 CD GLU A 77 -29.514 -2.794 3.245 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -29.567 -1.545 3.173 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -30.131 -3.447 4.118 1.00 0.00 O ATOM 0 H GLU A 77 -25.809 -6.173 2.032 1.00 0.00 H new ATOM 0 HA GLU A 77 -26.600 -3.849 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -27.126 -4.076 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -26.899 -2.531 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -28.824 -3.071 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -29.073 -4.565 2.112 1.00 0.00 H new ATOM 1215 N SER A 78 -24.450 -4.466 3.051 1.00 0.00 N ATOM 1216 CA SER A 78 -23.077 -4.461 3.573 1.00 0.00 C ATOM 1217 C SER A 78 -22.828 -5.694 4.471 1.00 0.00 C ATOM 1218 O SER A 78 -23.775 -6.337 4.952 1.00 0.00 O ATOM 1219 CB SER A 78 -22.839 -3.169 4.363 1.00 0.00 C ATOM 1220 OG SER A 78 -23.803 -3.009 5.389 1.00 0.00 O ATOM 0 H SER A 78 -25.085 -4.977 3.664 1.00 0.00 H new ATOM 0 HA SER A 78 -22.379 -4.508 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 78 -21.840 -3.185 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 78 -22.878 -2.314 3.687 1.00 0.00 H new ATOM 0 HG SER A 78 -23.626 -2.178 5.877 1.00 0.00 H new ATOM 1226 N PHE A 79 -21.554 -6.020 4.718 1.00 0.00 N ATOM 1227 CA PHE A 79 -21.129 -7.141 5.571 1.00 0.00 C ATOM 1228 C PHE A 79 -19.763 -6.866 6.225 1.00 0.00 C ATOM 1229 O PHE A 79 -18.807 -6.498 5.503 1.00 0.00 O ATOM 1230 CB PHE A 79 -21.113 -8.435 4.738 1.00 0.00 C ATOM 1231 CG PHE A 79 -20.892 -9.698 5.551 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -21.976 -10.291 6.234 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -19.613 -10.282 5.634 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -21.779 -11.467 6.980 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -19.420 -11.460 6.379 1.00 0.00 C ATOM 1236 CZ PHE A 79 -20.503 -12.050 7.051 1.00 0.00 C ATOM 1237 OXT PHE A 79 -19.658 -6.995 7.465 1.00 0.00 O ATOM 0 H PHE A 79 -20.770 -5.501 4.322 1.00 0.00 H new ATOM 0 HA PHE A 79 -21.843 -7.258 6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -22.059 -8.521 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -20.328 -8.359 3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -22.957 -9.842 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -18.778 -9.824 5.124 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -22.610 -11.922 7.499 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -18.440 -11.910 6.434 1.00 0.00 H new ATOM 0 HZ PHE A 79 -20.354 -12.954 7.623 1.00 0.00 H new TER 1247 PHE A 79