USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 636 hydrogens (7 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 NoAdj-H: A 15 HIP H2 : A 15 HIP N : A 14 ILE C :(H bumps) USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= 0.0107 USER MOD Set 1.2: A 80 THR OG1 : rot -19:sc= 1.17 USER MOD Set 2.1: A 24 GLN : amide:sc= -0.272 K(o=-0.23,f=-1.6!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 167:sc= 0.0452 (180deg=0.0213) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= -0.0729 (180deg=-0.546) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0291 USER MOD Single : A 20 THR OG1 : rot 79:sc= 0.633 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 150:sc= -1.74! USER MOD Single : A 34 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.8!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.105 K(o=0.11,f=-4.8!) USER MOD Single : A 45 LYS NZ :NH3+ -115:sc= 0.401 (180deg=-0.806) USER MOD Single : A 46 SER OG : rot 180:sc= -0.218 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 39:sc= -0.0026 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 49:sc= 0.00959 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 75 ASN : amide:sc= -4.36 K(o=-4.4,f=-14!) USER MOD Single : A 81 MET CE :methyl -161:sc= -0.0133 (180deg=-0.26) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -54:sc= 0.772 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.706 -10.160 -10.082 1.00 0.00 N ATOM 2 CA ALA A 2 -6.104 -9.628 -8.748 1.00 0.00 C ATOM 3 C ALA A 2 -5.182 -8.466 -8.369 1.00 0.00 C ATOM 4 O ALA A 2 -4.113 -8.666 -7.825 1.00 0.00 O ATOM 5 CB ALA A 2 -5.986 -10.735 -7.700 1.00 0.00 C ATOM 0 HA ALA A 2 -7.135 -9.277 -8.789 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.277 -10.345 -6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.641 -11.563 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.955 -11.087 -7.657 1.00 0.00 H new ATOM 13 N GLN A 3 -5.593 -7.258 -8.652 1.00 0.00 N ATOM 14 CA GLN A 3 -4.749 -6.074 -8.312 1.00 0.00 C ATOM 15 C GLN A 3 -5.622 -4.819 -8.282 1.00 0.00 C ATOM 16 O GLN A 3 -6.663 -4.765 -8.912 1.00 0.00 O ATOM 17 CB GLN A 3 -3.648 -5.904 -9.363 1.00 0.00 C ATOM 18 CG GLN A 3 -4.266 -5.912 -10.763 1.00 0.00 C ATOM 19 CD GLN A 3 -3.154 -5.972 -11.812 1.00 0.00 C ATOM 20 OE1 GLN A 3 -2.381 -6.909 -11.844 1.00 0.00 O ATOM 21 NE2 GLN A 3 -3.039 -5.003 -12.680 1.00 0.00 N ATOM 0 H GLN A 3 -6.480 -7.039 -9.106 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.293 -6.226 -7.334 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.114 -4.969 -9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.918 -6.708 -9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.931 -6.768 -10.873 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.871 -5.017 -10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.687 -4.216 -12.654 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.301 -5.033 -13.384 1.00 0.00 H new ATOM 30 N LYS A 4 -5.207 -3.814 -7.556 1.00 0.00 N ATOM 31 CA LYS A 4 -6.012 -2.559 -7.479 1.00 0.00 C ATOM 32 C LYS A 4 -5.080 -1.346 -7.505 1.00 0.00 C ATOM 33 O LYS A 4 -3.969 -1.395 -7.013 1.00 0.00 O ATOM 34 CB LYS A 4 -6.826 -2.553 -6.183 1.00 0.00 C ATOM 35 CG LYS A 4 -8.227 -3.105 -6.456 1.00 0.00 C ATOM 36 CD LYS A 4 -9.246 -2.377 -5.577 1.00 0.00 C ATOM 37 CE LYS A 4 -9.779 -1.153 -6.323 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.113 -0.080 -5.344 1.00 0.00 N ATOM 0 H LYS A 4 -4.344 -3.808 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.688 -2.511 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.327 -3.157 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.894 -1.539 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.481 -2.976 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.254 -4.175 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.067 -3.047 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.781 -2.071 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.034 -0.793 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.664 -1.422 -6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.475 0.752 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.838 -0.426 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.259 0.183 -4.813 1.00 0.00 H new ATOM 52 N THR A 5 -5.530 -0.258 -8.078 1.00 0.00 N ATOM 53 CA THR A 5 -4.683 0.969 -8.144 1.00 0.00 C ATOM 54 C THR A 5 -5.100 1.936 -7.034 1.00 0.00 C ATOM 55 O THR A 5 -6.258 2.013 -6.670 1.00 0.00 O ATOM 56 CB THR A 5 -4.871 1.643 -9.505 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.737 0.672 -10.534 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.813 2.731 -9.687 1.00 0.00 C ATOM 0 H THR A 5 -6.452 -0.168 -8.504 1.00 0.00 H new ATOM 0 HA THR A 5 -3.636 0.697 -8.014 1.00 0.00 H new ATOM 0 HB THR A 5 -5.863 2.092 -9.555 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.859 1.101 -11.407 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.947 3.211 -10.657 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.916 3.475 -8.897 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.820 2.285 -9.638 1.00 0.00 H new ATOM 66 N PHE A 6 -4.162 2.674 -6.495 1.00 0.00 N ATOM 67 CA PHE A 6 -4.493 3.639 -5.407 1.00 0.00 C ATOM 68 C PHE A 6 -3.730 4.945 -5.631 1.00 0.00 C ATOM 69 O PHE A 6 -2.766 4.993 -6.371 1.00 0.00 O ATOM 70 CB PHE A 6 -4.088 3.042 -4.059 1.00 0.00 C ATOM 71 CG PHE A 6 -4.936 1.827 -3.772 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.609 0.593 -4.348 1.00 0.00 C ATOM 73 CD2 PHE A 6 -6.048 1.934 -2.930 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.396 -0.533 -4.083 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.835 0.807 -2.665 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.509 -0.426 -3.241 1.00 0.00 C ATOM 0 H PHE A 6 -3.178 2.648 -6.764 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.565 3.838 -5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.033 2.768 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.214 3.782 -3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.749 0.511 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.299 2.885 -2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.145 -1.484 -4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.694 0.889 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.116 -1.295 -3.036 1.00 0.00 H new ATOM 86 N LYS A 7 -4.156 6.004 -4.990 1.00 0.00 N ATOM 87 CA LYS A 7 -3.461 7.314 -5.151 1.00 0.00 C ATOM 88 C LYS A 7 -3.016 7.817 -3.776 1.00 0.00 C ATOM 89 O LYS A 7 -3.742 7.713 -2.805 1.00 0.00 O ATOM 90 CB LYS A 7 -4.421 8.326 -5.790 1.00 0.00 C ATOM 91 CG LYS A 7 -3.677 9.141 -6.853 1.00 0.00 C ATOM 92 CD LYS A 7 -3.255 8.220 -8.001 1.00 0.00 C ATOM 93 CE LYS A 7 -3.351 8.977 -9.327 1.00 0.00 C ATOM 94 NZ LYS A 7 -3.579 8.008 -10.435 1.00 0.00 N ATOM 0 H LYS A 7 -4.958 6.016 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.589 7.194 -5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.266 7.806 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.827 8.990 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.318 9.938 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.800 9.617 -6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.235 7.870 -7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.895 7.338 -8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.166 9.700 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.435 9.540 -9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.234 8.414 -11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.067 7.125 -10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.596 7.807 -10.517 1.00 0.00 H new ATOM 108 N VAL A 8 -1.826 8.352 -3.688 1.00 0.00 N ATOM 109 CA VAL A 8 -1.323 8.857 -2.376 1.00 0.00 C ATOM 110 C VAL A 8 -1.760 10.310 -2.180 1.00 0.00 C ATOM 111 O VAL A 8 -1.403 11.182 -2.950 1.00 0.00 O ATOM 112 CB VAL A 8 0.207 8.783 -2.344 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.696 9.054 -0.921 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.668 7.388 -2.778 1.00 0.00 C ATOM 0 H VAL A 8 -1.180 8.461 -4.470 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.735 8.240 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 8 0.618 9.528 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.784 9.002 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.372 10.047 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.280 8.307 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.757 7.341 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.257 6.641 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.319 7.188 -3.791 1.00 0.00 H new ATOM 124 N THR A 9 -2.528 10.573 -1.155 1.00 0.00 N ATOM 125 CA THR A 9 -2.991 11.969 -0.898 1.00 0.00 C ATOM 126 C THR A 9 -2.688 12.373 0.555 1.00 0.00 C ATOM 127 O THR A 9 -3.138 13.404 1.018 1.00 0.00 O ATOM 128 CB THR A 9 -4.499 12.056 -1.142 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.823 11.351 -2.333 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.915 13.522 -1.287 1.00 0.00 C ATOM 0 H THR A 9 -2.855 9.879 -0.483 1.00 0.00 H new ATOM 0 HA THR A 9 -2.465 12.645 -1.572 1.00 0.00 H new ATOM 0 HB THR A 9 -5.029 11.614 -0.298 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.789 11.403 -2.492 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.990 13.580 -1.461 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.665 14.063 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.387 13.968 -2.129 1.00 0.00 H new ATOM 138 N ALA A 10 -1.932 11.577 1.278 1.00 0.00 N ATOM 139 CA ALA A 10 -1.609 11.925 2.691 1.00 0.00 C ATOM 140 C ALA A 10 -0.516 12.996 2.717 1.00 0.00 C ATOM 141 O ALA A 10 0.379 12.999 1.893 1.00 0.00 O ATOM 142 CB ALA A 10 -1.117 10.676 3.426 1.00 0.00 C ATOM 0 H ALA A 10 -1.527 10.702 0.945 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.503 12.307 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.881 10.931 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.896 9.914 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.223 10.293 2.934 1.00 0.00 H new ATOM 148 N ASP A 11 -0.584 13.904 3.658 1.00 0.00 N ATOM 149 CA ASP A 11 0.447 14.978 3.745 1.00 0.00 C ATOM 150 C ASP A 11 1.782 14.370 4.181 1.00 0.00 C ATOM 151 O ASP A 11 2.839 14.806 3.762 1.00 0.00 O ATOM 152 CB ASP A 11 0.007 16.027 4.770 1.00 0.00 C ATOM 153 CG ASP A 11 -0.719 17.167 4.055 1.00 0.00 C ATOM 154 OD1 ASP A 11 -1.498 16.880 3.162 1.00 0.00 O ATOM 155 OD2 ASP A 11 -0.484 18.310 4.414 1.00 0.00 O ATOM 0 H ASP A 11 -1.312 13.946 4.371 1.00 0.00 H new ATOM 0 HA ASP A 11 0.563 15.449 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.650 15.573 5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.874 16.413 5.306 1.00 0.00 H new ATOM 160 N SER A 12 1.741 13.365 5.019 1.00 0.00 N ATOM 161 CA SER A 12 3.002 12.722 5.490 1.00 0.00 C ATOM 162 C SER A 12 3.631 11.926 4.344 1.00 0.00 C ATOM 163 O SER A 12 4.835 11.772 4.274 1.00 0.00 O ATOM 164 CB SER A 12 2.691 11.780 6.652 1.00 0.00 C ATOM 165 OG SER A 12 1.538 11.009 6.337 1.00 0.00 O ATOM 0 H SER A 12 0.884 12.962 5.398 1.00 0.00 H new ATOM 0 HA SER A 12 3.698 13.492 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.541 11.124 6.841 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.522 12.353 7.564 1.00 0.00 H new ATOM 0 HG SER A 12 1.337 10.402 7.080 1.00 0.00 H new ATOM 171 N GLY A 13 2.822 11.419 3.447 1.00 0.00 N ATOM 172 CA GLY A 13 3.365 10.629 2.303 1.00 0.00 C ATOM 173 C GLY A 13 3.317 9.140 2.644 1.00 0.00 C ATOM 174 O GLY A 13 2.466 8.695 3.390 1.00 0.00 O ATOM 0 H GLY A 13 1.807 11.519 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.783 10.826 1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.391 10.932 2.092 1.00 0.00 H new ATOM 178 N ILE A 14 4.223 8.367 2.100 1.00 0.00 N ATOM 179 CA ILE A 14 4.235 6.900 2.387 1.00 0.00 C ATOM 180 C ILE A 14 5.510 6.548 3.165 1.00 0.00 C ATOM 181 O ILE A 14 6.298 5.718 2.745 1.00 0.00 O ATOM 182 CB ILE A 14 4.203 6.110 1.069 1.00 0.00 C ATOM 183 CG1 ILE A 14 3.178 6.726 0.099 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.828 4.653 1.354 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.777 6.716 0.724 1.00 0.00 C ATOM 0 H ILE A 14 4.956 8.689 1.468 1.00 0.00 H new ATOM 0 HA ILE A 14 3.358 6.640 2.980 1.00 0.00 H new ATOM 0 HB ILE A 14 5.191 6.152 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.467 7.748 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.170 6.166 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.806 4.093 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.566 4.212 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.845 4.615 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.064 7.155 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.484 5.689 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.786 7.297 1.646 1.00 0.00 H new HETATM 197 N HIP A 15 5.724 7.183 4.291 1.00 0.00 N HETATM 198 CA HIP A 15 6.954 6.896 5.089 1.00 0.00 C HETATM 199 CB HIP A 15 7.391 8.159 5.866 1.00 0.00 C HETATM 200 CG HIP A 15 6.455 8.482 7.001 1.00 0.00 C HETATM 201 CD2 HIP A 15 5.104 8.697 7.040 1.00 0.00 C HETATM 202 NE2 HIP A 15 4.715 8.998 8.336 1.00 0.00 N HETATM 203 CE1 HIP A 15 5.829 8.960 9.062 1.00 0.00 C HETATM 204 ND1 HIP A 15 6.910 8.657 8.309 1.00 0.00 N HETATM 205 P HIP A 15 8.333 8.857 8.708 1.00 0.00 P HETATM 206 O1P HIP A 15 9.067 9.566 7.636 1.00 0.00 O HETATM 207 O2P HIP A 15 8.973 7.553 8.991 1.00 0.00 O HETATM 208 O3P HIP A 15 8.220 9.688 9.932 1.00 0.00 O HETATM 209 C HIP A 15 6.712 5.682 6.014 1.00 0.00 C HETATM 210 O HIP A 15 6.062 4.732 5.620 1.00 0.00 O HETATM 0 HE2 HIP A 15 3.772 9.205 8.664 1.00 0.00 H new HETATM 0 HE1 HIP A 15 5.866 9.150 10.135 1.00 0.00 H new HETATM 0 HD2 HIP A 15 4.435 8.640 6.181 1.00 0.00 H new HETATM 0 HB3 HIP A 15 8.397 8.012 6.258 1.00 0.00 H new HETATM 0 HB2 HIP A 15 7.436 9.007 5.182 1.00 0.00 H new HETATM 0 HA HIP A 15 7.775 6.633 4.422 1.00 0.00 H new HETATM 0 H HIP A 15 5.303 8.112 4.318 1.00 0.00 H new ATOM 218 N ALA A 16 7.256 5.674 7.212 1.00 0.00 N ATOM 219 CA ALA A 16 7.084 4.488 8.115 1.00 0.00 C ATOM 220 C ALA A 16 5.665 4.396 8.697 1.00 0.00 C ATOM 221 O ALA A 16 5.130 3.315 8.831 1.00 0.00 O ATOM 222 CB ALA A 16 8.092 4.579 9.261 1.00 0.00 C ATOM 0 H ALA A 16 7.810 6.436 7.602 1.00 0.00 H new ATOM 0 HA ALA A 16 7.254 3.592 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.972 3.720 9.921 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.104 4.587 8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.920 5.496 9.825 1.00 0.00 H new ATOM 228 N ARG A 17 5.059 5.500 9.068 1.00 0.00 N ATOM 229 CA ARG A 17 3.681 5.435 9.666 1.00 0.00 C ATOM 230 C ARG A 17 2.695 4.712 8.717 1.00 0.00 C ATOM 231 O ARG A 17 2.030 3.783 9.141 1.00 0.00 O ATOM 232 CB ARG A 17 3.171 6.850 9.962 1.00 0.00 C ATOM 233 CG ARG A 17 2.456 6.867 11.317 1.00 0.00 C ATOM 234 CD ARG A 17 2.525 8.274 11.914 1.00 0.00 C ATOM 235 NE ARG A 17 1.405 8.460 12.879 1.00 0.00 N ATOM 236 CZ ARG A 17 1.397 7.799 14.004 1.00 0.00 C ATOM 237 NH1 ARG A 17 2.462 7.780 14.757 1.00 0.00 N ATOM 238 NH2 ARG A 17 0.324 7.156 14.375 1.00 0.00 N ATOM 0 H ARG A 17 5.453 6.437 8.985 1.00 0.00 H new ATOM 0 HA ARG A 17 3.741 4.868 10.595 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.004 7.553 9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.489 7.173 9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.416 6.563 11.195 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.921 6.150 11.994 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.481 8.421 12.417 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.464 9.020 11.122 1.00 0.00 H new ATOM 0 HE ARG A 17 0.645 9.104 12.660 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.301 8.282 14.466 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.456 7.263 15.636 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.508 7.170 13.786 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.318 6.639 15.254 1.00 0.00 H new ATOM 252 N PRO A 18 2.608 5.135 7.466 1.00 0.00 N ATOM 253 CA PRO A 18 1.687 4.497 6.506 1.00 0.00 C ATOM 254 C PRO A 18 2.200 3.110 6.112 1.00 0.00 C ATOM 255 O PRO A 18 1.432 2.241 5.742 1.00 0.00 O ATOM 256 CB PRO A 18 1.668 5.460 5.315 1.00 0.00 C ATOM 257 CG PRO A 18 2.961 6.293 5.411 1.00 0.00 C ATOM 258 CD PRO A 18 3.403 6.245 6.883 1.00 0.00 C ATOM 0 HA PRO A 18 0.688 4.334 6.911 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.627 4.913 4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.788 6.103 5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.734 5.885 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.785 7.320 5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.473 6.058 6.972 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.201 7.188 7.390 1.00 0.00 H new ATOM 266 N ALA A 19 3.487 2.888 6.210 1.00 0.00 N ATOM 267 CA ALA A 19 4.044 1.549 5.865 1.00 0.00 C ATOM 268 C ALA A 19 3.629 0.543 6.946 1.00 0.00 C ATOM 269 O ALA A 19 3.530 -0.641 6.696 1.00 0.00 O ATOM 270 CB ALA A 19 5.569 1.631 5.796 1.00 0.00 C ATOM 0 H ALA A 19 4.174 3.578 6.514 1.00 0.00 H new ATOM 0 HA ALA A 19 3.660 1.227 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.975 0.651 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.860 2.352 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.960 1.948 6.763 1.00 0.00 H new ATOM 276 N THR A 20 3.380 1.013 8.145 1.00 0.00 N ATOM 277 CA THR A 20 2.960 0.104 9.250 1.00 0.00 C ATOM 278 C THR A 20 1.473 -0.222 9.098 1.00 0.00 C ATOM 279 O THR A 20 1.020 -1.288 9.473 1.00 0.00 O ATOM 280 CB THR A 20 3.190 0.798 10.594 1.00 0.00 C ATOM 281 OG1 THR A 20 4.328 1.645 10.501 1.00 0.00 O ATOM 282 CG2 THR A 20 3.422 -0.253 11.681 1.00 0.00 C ATOM 0 H THR A 20 3.451 1.997 8.404 1.00 0.00 H new ATOM 0 HA THR A 20 3.544 -0.815 9.209 1.00 0.00 H new ATOM 0 HB THR A 20 2.313 1.394 10.849 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.081 2.476 10.044 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.586 0.243 12.638 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.548 -0.901 11.753 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.297 -0.851 11.428 1.00 0.00 H new ATOM 290 N VAL A 21 0.713 0.689 8.544 1.00 0.00 N ATOM 291 CA VAL A 21 -0.747 0.443 8.357 1.00 0.00 C ATOM 292 C VAL A 21 -0.940 -0.626 7.287 1.00 0.00 C ATOM 293 O VAL A 21 -1.683 -1.576 7.456 1.00 0.00 O ATOM 294 CB VAL A 21 -1.428 1.728 7.895 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.944 1.519 7.845 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.107 2.869 8.866 1.00 0.00 C ATOM 0 H VAL A 21 1.043 1.595 8.212 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.182 0.115 9.301 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.061 1.985 6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.427 2.438 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.178 0.715 7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.308 1.254 8.838 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.597 3.782 8.529 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.466 2.611 9.862 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.029 3.026 8.899 1.00 0.00 H new ATOM 306 N LEU A 22 -0.279 -0.455 6.180 1.00 0.00 N ATOM 307 CA LEU A 22 -0.401 -1.419 5.058 1.00 0.00 C ATOM 308 C LEU A 22 0.172 -2.782 5.453 1.00 0.00 C ATOM 309 O LEU A 22 -0.490 -3.791 5.339 1.00 0.00 O ATOM 310 CB LEU A 22 0.375 -0.866 3.870 1.00 0.00 C ATOM 311 CG LEU A 22 -0.332 0.383 3.343 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.525 1.021 2.251 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.691 -0.010 2.755 1.00 0.00 C ATOM 0 H LEU A 22 0.352 0.327 6.003 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.452 -1.552 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.395 -0.622 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.444 -1.618 3.084 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.479 1.092 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.026 1.912 1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.495 1.297 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.666 0.310 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.196 0.880 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.543 -0.716 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.302 -0.474 3.529 1.00 0.00 H new ATOM 325 N VAL A 23 1.402 -2.820 5.903 1.00 0.00 N ATOM 326 CA VAL A 23 2.035 -4.124 6.291 1.00 0.00 C ATOM 327 C VAL A 23 1.122 -4.909 7.252 1.00 0.00 C ATOM 328 O VAL A 23 1.132 -6.124 7.273 1.00 0.00 O ATOM 329 CB VAL A 23 3.393 -3.849 6.962 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.188 -3.084 8.273 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.095 -5.177 7.255 1.00 0.00 C ATOM 0 H VAL A 23 1.999 -2.002 6.020 1.00 0.00 H new ATOM 0 HA VAL A 23 2.183 -4.726 5.395 1.00 0.00 H new ATOM 0 HB VAL A 23 4.005 -3.248 6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.155 -2.895 8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.693 -2.135 8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.570 -3.677 8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.057 -4.983 7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.475 -5.777 7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.254 -5.718 6.322 1.00 0.00 H new ATOM 341 N GLN A 24 0.345 -4.218 8.045 1.00 0.00 N ATOM 342 CA GLN A 24 -0.560 -4.912 9.012 1.00 0.00 C ATOM 343 C GLN A 24 -1.686 -5.636 8.263 1.00 0.00 C ATOM 344 O GLN A 24 -1.979 -6.785 8.536 1.00 0.00 O ATOM 345 CB GLN A 24 -1.166 -3.880 9.969 1.00 0.00 C ATOM 346 CG GLN A 24 -0.154 -3.527 11.068 1.00 0.00 C ATOM 347 CD GLN A 24 -0.674 -3.998 12.430 1.00 0.00 C ATOM 348 OE1 GLN A 24 -1.473 -4.911 12.504 1.00 0.00 O ATOM 349 NE2 GLN A 24 -0.252 -3.412 13.516 1.00 0.00 N ATOM 0 H GLN A 24 0.297 -3.199 8.065 1.00 0.00 H new ATOM 0 HA GLN A 24 0.018 -5.645 9.574 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.446 -2.982 9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.077 -4.277 10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.806 -3.996 10.854 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.015 -2.450 11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.419 -2.646 13.454 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.592 -3.720 14.427 1.00 0.00 H new ATOM 358 N THR A 25 -2.327 -4.970 7.336 1.00 0.00 N ATOM 359 CA THR A 25 -3.447 -5.613 6.580 1.00 0.00 C ATOM 360 C THR A 25 -2.917 -6.764 5.719 1.00 0.00 C ATOM 361 O THR A 25 -3.373 -7.884 5.828 1.00 0.00 O ATOM 362 CB THR A 25 -4.119 -4.571 5.682 1.00 0.00 C ATOM 363 OG1 THR A 25 -4.203 -3.336 6.376 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.527 -5.043 5.302 1.00 0.00 C ATOM 0 H THR A 25 -2.123 -4.007 7.069 1.00 0.00 H new ATOM 0 HA THR A 25 -4.171 -6.010 7.291 1.00 0.00 H new ATOM 0 HB THR A 25 -3.529 -4.441 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.631 -2.667 5.802 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.001 -4.298 4.663 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.461 -5.990 4.767 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.122 -5.177 6.205 1.00 0.00 H new ATOM 372 N ALA A 26 -1.973 -6.493 4.856 1.00 0.00 N ATOM 373 CA ALA A 26 -1.416 -7.564 3.978 1.00 0.00 C ATOM 374 C ALA A 26 -0.748 -8.659 4.825 1.00 0.00 C ATOM 375 O ALA A 26 -0.518 -9.754 4.349 1.00 0.00 O ATOM 376 CB ALA A 26 -0.378 -6.954 3.034 1.00 0.00 C ATOM 0 H ALA A 26 -1.561 -5.570 4.721 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.229 -8.008 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.031 -7.733 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.851 -6.188 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.426 -6.506 3.618 1.00 0.00 H new ATOM 382 N SER A 27 -0.431 -8.377 6.068 1.00 0.00 N ATOM 383 CA SER A 27 0.227 -9.407 6.930 1.00 0.00 C ATOM 384 C SER A 27 -0.727 -10.585 7.155 1.00 0.00 C ATOM 385 O SER A 27 -0.300 -11.709 7.340 1.00 0.00 O ATOM 386 CB SER A 27 0.595 -8.785 8.279 1.00 0.00 C ATOM 387 OG SER A 27 0.911 -9.818 9.205 1.00 0.00 O ATOM 0 H SER A 27 -0.600 -7.479 6.520 1.00 0.00 H new ATOM 0 HA SER A 27 1.129 -9.765 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.446 -8.113 8.162 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.235 -8.186 8.654 1.00 0.00 H new ATOM 0 HG SER A 27 1.148 -9.421 10.069 1.00 0.00 H new ATOM 393 N LYS A 28 -2.012 -10.334 7.144 1.00 0.00 N ATOM 394 CA LYS A 28 -2.998 -11.435 7.363 1.00 0.00 C ATOM 395 C LYS A 28 -3.439 -12.034 6.019 1.00 0.00 C ATOM 396 O LYS A 28 -4.500 -12.621 5.919 1.00 0.00 O ATOM 397 CB LYS A 28 -4.222 -10.880 8.096 1.00 0.00 C ATOM 398 CG LYS A 28 -3.870 -10.630 9.565 1.00 0.00 C ATOM 399 CD LYS A 28 -3.044 -9.348 9.682 1.00 0.00 C ATOM 400 CE LYS A 28 -3.291 -8.705 11.048 1.00 0.00 C ATOM 401 NZ LYS A 28 -2.057 -8.000 11.496 1.00 0.00 N ATOM 0 H LYS A 28 -2.421 -9.412 6.992 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.528 -12.216 7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.550 -9.952 7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.051 -11.584 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.780 -10.544 10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.308 -11.475 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.984 -9.573 9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.316 -8.654 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.122 -8.002 10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.572 -9.467 11.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.282 -7.385 12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.342 -8.699 11.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.684 -7.423 10.715 1.00 0.00 H new ATOM 415 N TYR A 29 -2.633 -11.902 4.992 1.00 0.00 N ATOM 416 CA TYR A 29 -3.008 -12.472 3.663 1.00 0.00 C ATOM 417 C TYR A 29 -1.828 -13.265 3.099 1.00 0.00 C ATOM 418 O TYR A 29 -0.755 -12.734 2.887 1.00 0.00 O ATOM 419 CB TYR A 29 -3.375 -11.343 2.697 1.00 0.00 C ATOM 420 CG TYR A 29 -4.709 -10.763 3.098 1.00 0.00 C ATOM 421 CD1 TYR A 29 -5.888 -11.471 2.837 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.768 -9.518 3.734 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.124 -10.935 3.212 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.004 -8.981 4.108 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.183 -9.689 3.846 1.00 0.00 C ATOM 426 OH TYR A 29 -8.402 -9.160 4.215 1.00 0.00 O ATOM 0 H TYR A 29 -1.732 -11.424 5.019 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.867 -13.132 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.608 -10.569 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.422 -11.722 1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.843 -12.432 2.346 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.859 -8.972 3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.033 -11.483 3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.049 -8.020 4.599 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.288 -8.597 5.009 1.00 0.00 H new ATOM 436 N ASP A 30 -2.025 -14.535 2.857 1.00 0.00 N ATOM 437 CA ASP A 30 -0.926 -15.381 2.307 1.00 0.00 C ATOM 438 C ASP A 30 -0.579 -14.928 0.884 1.00 0.00 C ATOM 439 O ASP A 30 0.506 -15.180 0.396 1.00 0.00 O ATOM 440 CB ASP A 30 -1.373 -16.844 2.279 1.00 0.00 C ATOM 441 CG ASP A 30 -0.997 -17.518 3.599 1.00 0.00 C ATOM 442 OD1 ASP A 30 -1.497 -17.087 4.626 1.00 0.00 O ATOM 443 OD2 ASP A 30 -0.217 -18.456 3.563 1.00 0.00 O ATOM 0 H ASP A 30 -2.905 -15.024 3.018 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.045 -15.278 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.450 -16.903 2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.900 -17.364 1.446 1.00 0.00 H new ATOM 448 N ALA A 31 -1.492 -14.263 0.214 1.00 0.00 N ATOM 449 CA ALA A 31 -1.216 -13.795 -1.178 1.00 0.00 C ATOM 450 C ALA A 31 0.003 -12.868 -1.182 1.00 0.00 C ATOM 451 O ALA A 31 0.251 -12.150 -0.231 1.00 0.00 O ATOM 452 CB ALA A 31 -2.432 -13.036 -1.711 1.00 0.00 C ATOM 0 H ALA A 31 -2.416 -14.025 0.574 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.015 -14.658 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.231 -12.694 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.300 -13.696 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.633 -12.176 -1.072 1.00 0.00 H new ATOM 458 N ASP A 32 0.765 -12.885 -2.246 1.00 0.00 N ATOM 459 CA ASP A 32 1.972 -12.013 -2.323 1.00 0.00 C ATOM 460 C ASP A 32 1.586 -10.662 -2.931 1.00 0.00 C ATOM 461 O ASP A 32 1.642 -10.475 -4.132 1.00 0.00 O ATOM 462 CB ASP A 32 3.030 -12.685 -3.202 1.00 0.00 C ATOM 463 CG ASP A 32 3.929 -13.567 -2.334 1.00 0.00 C ATOM 464 OD1 ASP A 32 3.398 -14.278 -1.497 1.00 0.00 O ATOM 465 OD2 ASP A 32 5.133 -13.517 -2.522 1.00 0.00 O ATOM 0 H ASP A 32 0.601 -13.468 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 32 2.375 -11.859 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.549 -13.286 -3.974 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.627 -11.930 -3.713 1.00 0.00 H new ATOM 470 N VAL A 33 1.200 -9.724 -2.105 1.00 0.00 N ATOM 471 CA VAL A 33 0.810 -8.379 -2.622 1.00 0.00 C ATOM 472 C VAL A 33 2.051 -7.478 -2.667 1.00 0.00 C ATOM 473 O VAL A 33 2.868 -7.495 -1.765 1.00 0.00 O ATOM 474 CB VAL A 33 -0.264 -7.768 -1.704 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.487 -8.698 -1.641 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.305 -7.574 -0.291 1.00 0.00 C ATOM 0 H VAL A 33 1.138 -9.832 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 33 0.400 -8.471 -3.628 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.565 -6.801 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.244 -8.260 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.899 -8.825 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.186 -9.669 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.460 -7.141 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.616 -8.538 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.164 -6.905 -0.334 1.00 0.00 H new ATOM 486 N ASN A 34 2.200 -6.702 -3.711 1.00 0.00 N ATOM 487 CA ASN A 34 3.394 -5.811 -3.819 1.00 0.00 C ATOM 488 C ASN A 34 2.967 -4.404 -4.245 1.00 0.00 C ATOM 489 O ASN A 34 2.169 -4.232 -5.147 1.00 0.00 O ATOM 490 CB ASN A 34 4.359 -6.384 -4.859 1.00 0.00 C ATOM 491 CG ASN A 34 4.783 -7.793 -4.441 1.00 0.00 C ATOM 492 OD1 ASN A 34 5.182 -8.011 -3.314 1.00 0.00 O ATOM 493 ND2 ASN A 34 4.712 -8.767 -5.307 1.00 0.00 N ATOM 0 H ASN A 34 1.547 -6.647 -4.492 1.00 0.00 H new ATOM 0 HA ASN A 34 3.885 -5.754 -2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.880 -6.412 -5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.235 -5.742 -4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.991 -9.710 -5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.377 -8.585 -6.253 1.00 0.00 H new ATOM 500 N LEU A 35 3.507 -3.398 -3.605 1.00 0.00 N ATOM 501 CA LEU A 35 3.159 -1.991 -3.964 1.00 0.00 C ATOM 502 C LEU A 35 4.218 -1.455 -4.931 1.00 0.00 C ATOM 503 O LEU A 35 5.402 -1.591 -4.692 1.00 0.00 O ATOM 504 CB LEU A 35 3.142 -1.134 -2.695 1.00 0.00 C ATOM 505 CG LEU A 35 2.680 0.283 -3.038 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.165 0.391 -2.841 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.388 1.284 -2.120 1.00 0.00 C ATOM 0 H LEU A 35 4.179 -3.493 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 35 2.176 -1.956 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.475 -1.576 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.137 -1.105 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 35 2.925 0.504 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.837 1.401 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.661 -0.322 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.916 0.171 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.060 2.295 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.142 1.062 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.466 1.208 -2.262 1.00 0.00 H new ATOM 519 N GLU A 36 3.806 -0.859 -6.022 1.00 0.00 N ATOM 520 CA GLU A 36 4.799 -0.328 -7.004 1.00 0.00 C ATOM 521 C GLU A 36 4.815 1.201 -6.974 1.00 0.00 C ATOM 522 O GLU A 36 3.825 1.849 -7.253 1.00 0.00 O ATOM 523 CB GLU A 36 4.428 -0.800 -8.412 1.00 0.00 C ATOM 524 CG GLU A 36 5.550 -0.429 -9.386 1.00 0.00 C ATOM 525 CD GLU A 36 5.081 -0.673 -10.822 1.00 0.00 C ATOM 526 OE1 GLU A 36 3.918 -0.426 -11.094 1.00 0.00 O ATOM 527 OE2 GLU A 36 5.894 -1.102 -11.625 1.00 0.00 O ATOM 0 H GLU A 36 2.828 -0.718 -6.274 1.00 0.00 H new ATOM 0 HA GLU A 36 5.788 -0.699 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.270 -1.878 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.491 -0.340 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.828 0.617 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.439 -1.024 -9.177 1.00 0.00 H new ATOM 534 N TYR A 37 5.944 1.777 -6.652 1.00 0.00 N ATOM 535 CA TYR A 37 6.056 3.263 -6.616 1.00 0.00 C ATOM 536 C TYR A 37 6.811 3.724 -7.868 1.00 0.00 C ATOM 537 O TYR A 37 8.021 3.701 -7.909 1.00 0.00 O ATOM 538 CB TYR A 37 6.823 3.686 -5.352 1.00 0.00 C ATOM 539 CG TYR A 37 6.997 5.191 -5.324 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.888 6.030 -5.490 1.00 0.00 C ATOM 541 CD2 TYR A 37 8.270 5.744 -5.135 1.00 0.00 C ATOM 542 CE1 TYR A 37 6.053 7.421 -5.470 1.00 0.00 C ATOM 543 CE2 TYR A 37 8.434 7.134 -5.114 1.00 0.00 C ATOM 544 CZ TYR A 37 7.325 7.972 -5.282 1.00 0.00 C ATOM 545 OH TYR A 37 7.487 9.342 -5.261 1.00 0.00 O ATOM 0 H TYR A 37 6.799 1.276 -6.411 1.00 0.00 H new ATOM 0 HA TYR A 37 5.066 3.718 -6.596 1.00 0.00 H new ATOM 0 HB2 TYR A 37 6.283 3.359 -4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.798 3.199 -5.330 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.906 5.605 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.125 5.098 -5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.198 8.068 -5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.416 7.560 -4.968 1.00 0.00 H new ATOM 0 HH TYR A 37 8.433 9.557 -5.120 1.00 0.00 H new ATOM 555 N ASN A 38 6.092 4.139 -8.884 1.00 0.00 N ATOM 556 CA ASN A 38 6.732 4.609 -10.158 1.00 0.00 C ATOM 557 C ASN A 38 7.312 3.414 -10.934 1.00 0.00 C ATOM 558 O ASN A 38 6.690 2.918 -11.855 1.00 0.00 O ATOM 559 CB ASN A 38 7.828 5.651 -9.868 1.00 0.00 C ATOM 560 CG ASN A 38 8.266 6.305 -11.178 1.00 0.00 C ATOM 561 OD1 ASN A 38 9.358 6.067 -11.655 1.00 0.00 O ATOM 562 ND2 ASN A 38 7.456 7.128 -11.786 1.00 0.00 N ATOM 0 H ASN A 38 5.073 4.173 -8.886 1.00 0.00 H new ATOM 0 HA ASN A 38 5.968 5.086 -10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.453 6.407 -9.179 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.680 5.174 -9.384 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.740 7.570 -12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.539 7.329 -11.387 1.00 0.00 H new ATOM 569 N GLY A 39 8.487 2.944 -10.580 1.00 0.00 N ATOM 570 CA GLY A 39 9.083 1.784 -11.308 1.00 0.00 C ATOM 571 C GLY A 39 9.851 0.892 -10.328 1.00 0.00 C ATOM 572 O GLY A 39 10.779 0.202 -10.705 1.00 0.00 O ATOM 0 H GLY A 39 9.056 3.315 -9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.298 1.209 -11.798 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.753 2.140 -12.091 1.00 0.00 H new ATOM 576 N LYS A 40 9.469 0.899 -9.076 1.00 0.00 N ATOM 577 CA LYS A 40 10.171 0.050 -8.066 1.00 0.00 C ATOM 578 C LYS A 40 9.146 -0.848 -7.371 1.00 0.00 C ATOM 579 O LYS A 40 8.250 -0.373 -6.700 1.00 0.00 O ATOM 580 CB LYS A 40 10.856 0.943 -7.028 1.00 0.00 C ATOM 581 CG LYS A 40 11.718 1.992 -7.735 1.00 0.00 C ATOM 582 CD LYS A 40 12.948 1.316 -8.346 1.00 0.00 C ATOM 583 CE LYS A 40 14.094 1.327 -7.332 1.00 0.00 C ATOM 584 NZ LYS A 40 15.068 0.253 -7.672 1.00 0.00 N ATOM 0 H LYS A 40 8.699 1.458 -8.709 1.00 0.00 H new ATOM 0 HA LYS A 40 10.923 -0.563 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.107 1.433 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.474 0.338 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.139 2.489 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.027 2.761 -7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.709 0.291 -8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.248 1.837 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.590 2.298 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.705 1.174 -6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.847 0.260 -6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.590 -0.670 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.448 0.418 -8.626 1.00 0.00 H new ATOM 598 N THR A 41 9.264 -2.142 -7.535 1.00 0.00 N ATOM 599 CA THR A 41 8.286 -3.070 -6.894 1.00 0.00 C ATOM 600 C THR A 41 8.789 -3.502 -5.513 1.00 0.00 C ATOM 601 O THR A 41 9.663 -4.339 -5.394 1.00 0.00 O ATOM 602 CB THR A 41 8.100 -4.306 -7.776 1.00 0.00 C ATOM 603 OG1 THR A 41 7.955 -3.902 -9.130 1.00 0.00 O ATOM 604 CG2 THR A 41 6.849 -5.068 -7.332 1.00 0.00 C ATOM 0 H THR A 41 9.995 -2.594 -8.085 1.00 0.00 H new ATOM 0 HA THR A 41 7.334 -2.553 -6.779 1.00 0.00 H new ATOM 0 HB THR A 41 8.971 -4.955 -7.681 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.837 -4.693 -9.697 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.717 -5.949 -7.961 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.961 -5.378 -6.293 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.977 -4.421 -7.426 1.00 0.00 H new ATOM 612 N VAL A 42 8.222 -2.948 -4.473 1.00 0.00 N ATOM 613 CA VAL A 42 8.636 -3.333 -3.086 1.00 0.00 C ATOM 614 C VAL A 42 7.543 -4.200 -2.467 1.00 0.00 C ATOM 615 O VAL A 42 6.371 -4.032 -2.750 1.00 0.00 O ATOM 616 CB VAL A 42 8.848 -2.096 -2.191 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.273 -1.569 -2.363 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.845 -0.987 -2.539 1.00 0.00 C ATOM 0 H VAL A 42 7.487 -2.243 -4.522 1.00 0.00 H new ATOM 0 HA VAL A 42 9.579 -3.875 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 42 8.689 -2.394 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.417 -0.695 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.984 -2.345 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.435 -1.291 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.016 -0.126 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.976 -0.692 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.830 -1.355 -2.391 1.00 0.00 H new ATOM 628 N ASN A 43 7.919 -5.122 -1.621 1.00 0.00 N ATOM 629 CA ASN A 43 6.907 -6.002 -0.971 1.00 0.00 C ATOM 630 C ASN A 43 6.059 -5.169 -0.010 1.00 0.00 C ATOM 631 O ASN A 43 6.565 -4.307 0.685 1.00 0.00 O ATOM 632 CB ASN A 43 7.621 -7.107 -0.190 1.00 0.00 C ATOM 633 CG ASN A 43 6.694 -8.315 -0.047 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.597 -8.198 0.461 1.00 0.00 O ATOM 635 ND2 ASN A 43 7.092 -9.481 -0.478 1.00 0.00 N ATOM 0 H ASN A 43 8.886 -5.303 -1.352 1.00 0.00 H new ATOM 0 HA ASN A 43 6.267 -6.449 -1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.536 -7.397 -0.706 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.912 -6.741 0.794 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.482 -10.293 -0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.013 -9.580 -0.905 1.00 0.00 H new ATOM 642 N LEU A 44 4.773 -5.422 0.042 1.00 0.00 N ATOM 643 CA LEU A 44 3.886 -4.651 0.969 1.00 0.00 C ATOM 644 C LEU A 44 4.397 -4.821 2.409 1.00 0.00 C ATOM 645 O LEU A 44 4.221 -3.958 3.248 1.00 0.00 O ATOM 646 CB LEU A 44 2.445 -5.183 0.842 1.00 0.00 C ATOM 647 CG LEU A 44 1.409 -4.189 1.413 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.532 -4.120 2.935 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.605 -2.785 0.816 1.00 0.00 C ATOM 0 H LEU A 44 4.299 -6.130 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 44 3.897 -3.592 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.221 -5.377 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.362 -6.135 1.367 1.00 0.00 H new ATOM 0 HG LEU A 44 0.415 -4.545 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.798 -3.417 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.352 -5.108 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.534 -3.786 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.863 -2.105 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.605 -2.424 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.486 -2.830 -0.267 1.00 0.00 H new ATOM 661 N LYS A 45 5.053 -5.922 2.688 1.00 0.00 N ATOM 662 CA LYS A 45 5.600 -6.154 4.055 1.00 0.00 C ATOM 663 C LYS A 45 7.027 -5.591 4.128 1.00 0.00 C ATOM 664 O LYS A 45 7.955 -6.266 4.537 1.00 0.00 O ATOM 665 CB LYS A 45 5.624 -7.658 4.348 1.00 0.00 C ATOM 666 CG LYS A 45 4.226 -8.251 4.142 1.00 0.00 C ATOM 667 CD LYS A 45 4.349 -9.653 3.541 1.00 0.00 C ATOM 668 CE LYS A 45 3.077 -9.989 2.758 1.00 0.00 C ATOM 669 NZ LYS A 45 1.974 -10.289 3.712 1.00 0.00 N ATOM 0 H LYS A 45 5.232 -6.672 2.021 1.00 0.00 H new ATOM 0 HA LYS A 45 4.972 -5.655 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.339 -8.154 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.956 -7.833 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.695 -8.297 5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.642 -7.611 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.217 -9.703 2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.506 -10.386 4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.800 -9.153 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.253 -10.846 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.690 -11.284 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.300 -10.118 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.161 -9.674 3.507 1.00 0.00 H new ATOM 683 N SER A 46 7.204 -4.355 3.734 1.00 0.00 N ATOM 684 CA SER A 46 8.557 -3.730 3.773 1.00 0.00 C ATOM 685 C SER A 46 8.420 -2.301 4.297 1.00 0.00 C ATOM 686 O SER A 46 8.185 -1.372 3.548 1.00 0.00 O ATOM 687 CB SER A 46 9.159 -3.713 2.364 1.00 0.00 C ATOM 688 OG SER A 46 10.577 -3.760 2.461 1.00 0.00 O ATOM 0 H SER A 46 6.462 -3.749 3.385 1.00 0.00 H new ATOM 0 HA SER A 46 9.214 -4.303 4.428 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.793 -4.564 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.848 -2.813 1.834 1.00 0.00 H new ATOM 0 HG SER A 46 10.967 -3.751 1.562 1.00 0.00 H new ATOM 694 N ILE A 47 8.553 -2.127 5.587 1.00 0.00 N ATOM 695 CA ILE A 47 8.419 -0.767 6.185 1.00 0.00 C ATOM 696 C ILE A 47 9.593 0.108 5.741 1.00 0.00 C ATOM 697 O ILE A 47 9.414 1.112 5.077 1.00 0.00 O ATOM 698 CB ILE A 47 8.415 -0.878 7.713 1.00 0.00 C ATOM 699 CG1 ILE A 47 7.346 -1.892 8.157 1.00 0.00 C ATOM 700 CG2 ILE A 47 8.121 0.495 8.328 1.00 0.00 C ATOM 701 CD1 ILE A 47 5.950 -1.428 7.725 1.00 0.00 C ATOM 0 H ILE A 47 8.750 -2.873 6.254 1.00 0.00 H new ATOM 0 HA ILE A 47 7.485 -0.316 5.850 1.00 0.00 H new ATOM 0 HB ILE A 47 9.392 -1.220 8.053 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.561 -2.869 7.723 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.377 -2.010 9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.119 0.414 9.415 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.889 1.204 8.019 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.146 0.845 7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.208 -2.158 8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.731 -0.462 8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.918 -1.334 6.640 1.00 0.00 H new ATOM 713 N MET A 48 10.793 -0.267 6.106 1.00 0.00 N ATOM 714 CA MET A 48 11.989 0.536 5.715 1.00 0.00 C ATOM 715 C MET A 48 12.182 0.479 4.195 1.00 0.00 C ATOM 716 O MET A 48 12.761 1.372 3.607 1.00 0.00 O ATOM 717 CB MET A 48 13.230 -0.031 6.406 1.00 0.00 C ATOM 718 CG MET A 48 14.416 0.909 6.175 1.00 0.00 C ATOM 719 SD MET A 48 15.553 0.803 7.580 1.00 0.00 S ATOM 720 CE MET A 48 15.408 2.525 8.120 1.00 0.00 C ATOM 0 H MET A 48 10.995 -1.099 6.661 1.00 0.00 H new ATOM 0 HA MET A 48 11.840 1.572 6.019 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.045 -0.145 7.474 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.456 -1.023 6.014 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.933 0.640 5.254 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.064 1.934 6.055 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.040 2.687 8.993 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.726 3.187 7.315 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.371 2.739 8.378 1.00 0.00 H new ATOM 730 N GLY A 49 11.707 -0.564 3.560 1.00 0.00 N ATOM 731 CA GLY A 49 11.868 -0.681 2.081 1.00 0.00 C ATOM 732 C GLY A 49 11.051 0.409 1.384 1.00 0.00 C ATOM 733 O GLY A 49 11.404 0.871 0.314 1.00 0.00 O ATOM 0 H GLY A 49 11.215 -1.339 4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.920 -0.588 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.539 -1.665 1.747 1.00 0.00 H new ATOM 737 N VAL A 50 9.962 0.821 1.981 1.00 0.00 N ATOM 738 CA VAL A 50 9.114 1.880 1.357 1.00 0.00 C ATOM 739 C VAL A 50 9.607 3.259 1.807 1.00 0.00 C ATOM 740 O VAL A 50 9.493 4.233 1.087 1.00 0.00 O ATOM 741 CB VAL A 50 7.656 1.689 1.787 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.769 2.703 1.060 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.198 0.272 1.432 1.00 0.00 C ATOM 0 H VAL A 50 9.623 0.468 2.876 1.00 0.00 H new ATOM 0 HA VAL A 50 9.182 1.808 0.272 1.00 0.00 H new ATOM 0 HB VAL A 50 7.576 1.840 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.732 2.566 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.091 3.714 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.851 2.553 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.161 0.137 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.281 0.122 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.826 -0.454 1.949 1.00 0.00 H new ATOM 753 N VAL A 51 10.153 3.346 2.994 1.00 0.00 N ATOM 754 CA VAL A 51 10.655 4.657 3.501 1.00 0.00 C ATOM 755 C VAL A 51 11.889 5.077 2.697 1.00 0.00 C ATOM 756 O VAL A 51 12.160 6.250 2.531 1.00 0.00 O ATOM 757 CB VAL A 51 11.026 4.526 4.982 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.434 5.895 5.532 1.00 0.00 C ATOM 759 CG2 VAL A 51 9.819 4.006 5.769 1.00 0.00 C ATOM 0 H VAL A 51 10.272 2.562 3.635 1.00 0.00 H new ATOM 0 HA VAL A 51 9.876 5.412 3.390 1.00 0.00 H new ATOM 0 HB VAL A 51 11.857 3.829 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.698 5.800 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.293 6.269 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.602 6.592 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.084 3.913 6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.988 4.704 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.525 3.031 5.382 1.00 0.00 H new ATOM 769 N SER A 52 12.638 4.123 2.200 1.00 0.00 N ATOM 770 CA SER A 52 13.856 4.459 1.406 1.00 0.00 C ATOM 771 C SER A 52 13.445 5.142 0.101 1.00 0.00 C ATOM 772 O SER A 52 14.166 5.966 -0.430 1.00 0.00 O ATOM 773 CB SER A 52 14.627 3.176 1.089 1.00 0.00 C ATOM 774 OG SER A 52 13.705 2.124 0.838 1.00 0.00 O ATOM 0 H SER A 52 12.456 3.125 2.311 1.00 0.00 H new ATOM 0 HA SER A 52 14.490 5.132 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.268 3.328 0.221 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.278 2.914 1.923 1.00 0.00 H new ATOM 0 HG SER A 52 12.945 2.470 0.325 1.00 0.00 H new ATOM 780 N LEU A 53 12.291 4.807 -0.417 1.00 0.00 N ATOM 781 CA LEU A 53 11.823 5.433 -1.689 1.00 0.00 C ATOM 782 C LEU A 53 11.642 6.939 -1.478 1.00 0.00 C ATOM 783 O LEU A 53 12.356 7.742 -2.048 1.00 0.00 O ATOM 784 CB LEU A 53 10.488 4.810 -2.103 1.00 0.00 C ATOM 785 CG LEU A 53 10.686 3.319 -2.382 1.00 0.00 C ATOM 786 CD1 LEU A 53 9.338 2.601 -2.306 1.00 0.00 C ATOM 787 CD2 LEU A 53 11.283 3.137 -3.779 1.00 0.00 C ATOM 0 H LEU A 53 11.651 4.124 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 53 12.561 5.262 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.750 4.948 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.102 5.309 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 53 11.363 2.898 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.480 1.539 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.913 2.730 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.659 3.022 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.424 2.075 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.606 3.559 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.245 3.648 -3.833 1.00 0.00 H new ATOM 799 N GLY A 54 10.694 7.324 -0.660 1.00 0.00 N ATOM 800 CA GLY A 54 10.463 8.776 -0.403 1.00 0.00 C ATOM 801 C GLY A 54 9.211 9.244 -1.148 1.00 0.00 C ATOM 802 O GLY A 54 9.242 10.217 -1.878 1.00 0.00 O ATOM 0 H GLY A 54 10.069 6.692 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.347 8.951 0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.328 9.354 -0.729 1.00 0.00 H new ATOM 806 N ILE A 55 8.109 8.560 -0.964 1.00 0.00 N ATOM 807 CA ILE A 55 6.849 8.964 -1.656 1.00 0.00 C ATOM 808 C ILE A 55 6.233 10.151 -0.917 1.00 0.00 C ATOM 809 O ILE A 55 6.401 10.301 0.280 1.00 0.00 O ATOM 810 CB ILE A 55 5.859 7.794 -1.667 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.562 6.530 -2.182 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.684 8.134 -2.586 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.612 5.334 -2.092 1.00 0.00 C ATOM 0 H ILE A 55 8.029 7.739 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 55 7.074 9.245 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 55 5.493 7.617 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.881 6.675 -3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.460 6.338 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.978 7.304 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.184 9.031 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.052 8.310 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.117 4.440 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.315 5.183 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.727 5.526 -2.699 1.00 0.00 H new ATOM 825 N ALA A 56 5.532 11.001 -1.622 1.00 0.00 N ATOM 826 CA ALA A 56 4.913 12.188 -0.968 1.00 0.00 C ATOM 827 C ALA A 56 3.476 12.367 -1.470 1.00 0.00 C ATOM 828 O ALA A 56 2.895 11.469 -2.051 1.00 0.00 O ATOM 829 CB ALA A 56 5.745 13.430 -1.305 1.00 0.00 C ATOM 0 H ALA A 56 5.362 10.922 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 56 4.890 12.045 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.301 14.305 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.763 13.297 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.764 13.573 -2.385 1.00 0.00 H new ATOM 835 N LYS A 57 2.903 13.523 -1.245 1.00 0.00 N ATOM 836 CA LYS A 57 1.504 13.776 -1.700 1.00 0.00 C ATOM 837 C LYS A 57 1.453 13.787 -3.227 1.00 0.00 C ATOM 838 O LYS A 57 2.432 14.079 -3.889 1.00 0.00 O ATOM 839 CB LYS A 57 1.036 15.133 -1.168 1.00 0.00 C ATOM 840 CG LYS A 57 1.129 15.149 0.363 1.00 0.00 C ATOM 841 CD LYS A 57 1.722 16.481 0.830 1.00 0.00 C ATOM 842 CE LYS A 57 0.652 17.572 0.758 1.00 0.00 C ATOM 843 NZ LYS A 57 1.199 18.842 1.312 1.00 0.00 N ATOM 0 H LYS A 57 3.347 14.305 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 57 0.853 12.988 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.650 15.930 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.009 15.323 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.140 15.008 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.750 14.322 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.093 16.388 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.573 16.751 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.337 17.719 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.231 17.268 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.472 19.584 1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.479 18.696 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.029 19.134 0.757 1.00 0.00 H new ATOM 857 N GLY A 58 0.315 13.473 -3.789 1.00 0.00 N ATOM 858 CA GLY A 58 0.183 13.463 -5.276 1.00 0.00 C ATOM 859 C GLY A 58 1.114 12.402 -5.862 1.00 0.00 C ATOM 860 O GLY A 58 1.973 12.696 -6.672 1.00 0.00 O ATOM 0 H GLY A 58 -0.532 13.222 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.849 13.254 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.432 14.444 -5.681 1.00 0.00 H new ATOM 864 N ALA A 59 0.949 11.170 -5.452 1.00 0.00 N ATOM 865 CA ALA A 59 1.820 10.079 -5.974 1.00 0.00 C ATOM 866 C ALA A 59 0.948 8.954 -6.538 1.00 0.00 C ATOM 867 O ALA A 59 -0.263 8.977 -6.419 1.00 0.00 O ATOM 868 CB ALA A 59 2.686 9.533 -4.837 1.00 0.00 C ATOM 0 H ALA A 59 0.245 10.874 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 59 2.461 10.471 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.324 8.735 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.307 10.334 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.045 9.141 -4.048 1.00 0.00 H new ATOM 874 N GLU A 60 1.559 7.971 -7.147 1.00 0.00 N ATOM 875 CA GLU A 60 0.780 6.836 -7.719 1.00 0.00 C ATOM 876 C GLU A 60 1.364 5.517 -7.212 1.00 0.00 C ATOM 877 O GLU A 60 2.566 5.368 -7.091 1.00 0.00 O ATOM 878 CB GLU A 60 0.862 6.879 -9.246 1.00 0.00 C ATOM 879 CG GLU A 60 0.018 8.042 -9.773 1.00 0.00 C ATOM 880 CD GLU A 60 0.549 8.481 -11.139 1.00 0.00 C ATOM 881 OE1 GLU A 60 1.644 9.018 -11.183 1.00 0.00 O ATOM 882 OE2 GLU A 60 -0.148 8.272 -12.118 1.00 0.00 O ATOM 0 H GLU A 60 2.569 7.907 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.263 6.916 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.899 6.997 -9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.506 5.938 -9.666 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.026 7.739 -9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.052 8.876 -9.073 1.00 0.00 H new ATOM 889 N ILE A 61 0.522 4.561 -6.912 1.00 0.00 N ATOM 890 CA ILE A 61 1.019 3.247 -6.407 1.00 0.00 C ATOM 891 C ILE A 61 0.152 2.123 -6.978 1.00 0.00 C ATOM 892 O ILE A 61 -1.057 2.139 -6.856 1.00 0.00 O ATOM 893 CB ILE A 61 0.956 3.230 -4.876 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.444 3.667 -4.411 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.012 4.193 -4.322 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.518 3.691 -2.878 1.00 0.00 C ATOM 0 H ILE A 61 -0.492 4.635 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 61 2.052 3.099 -6.723 1.00 0.00 H new ATOM 0 HB ILE A 61 1.152 2.222 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.673 4.656 -4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.195 2.983 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.974 4.187 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.002 3.877 -4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.812 5.201 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.515 4.002 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.311 2.694 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.219 4.393 -2.489 1.00 0.00 H new ATOM 908 N THR A 62 0.764 1.152 -7.609 1.00 0.00 N ATOM 909 CA THR A 62 -0.018 0.027 -8.201 1.00 0.00 C ATOM 910 C THR A 62 0.175 -1.238 -7.361 1.00 0.00 C ATOM 911 O THR A 62 1.239 -1.827 -7.348 1.00 0.00 O ATOM 912 CB THR A 62 0.466 -0.232 -9.629 1.00 0.00 C ATOM 913 OG1 THR A 62 0.608 1.006 -10.311 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.549 -1.109 -10.362 1.00 0.00 C ATOM 0 H THR A 62 1.774 1.091 -7.739 1.00 0.00 H new ATOM 0 HA THR A 62 -1.075 0.292 -8.214 1.00 0.00 H new ATOM 0 HB THR A 62 1.429 -0.743 -9.600 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.920 0.842 -11.225 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.203 -1.293 -11.379 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.655 -2.059 -9.838 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.513 -0.602 -10.393 1.00 0.00 H new ATOM 922 N ILE A 63 -0.850 -1.659 -6.666 1.00 0.00 N ATOM 923 CA ILE A 63 -0.742 -2.888 -5.827 1.00 0.00 C ATOM 924 C ILE A 63 -1.236 -4.093 -6.634 1.00 0.00 C ATOM 925 O ILE A 63 -2.089 -3.966 -7.492 1.00 0.00 O ATOM 926 CB ILE A 63 -1.597 -2.720 -4.565 1.00 0.00 C ATOM 927 CG1 ILE A 63 -1.105 -1.498 -3.785 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.480 -3.968 -3.685 1.00 0.00 C ATOM 929 CD1 ILE A 63 -2.034 -1.237 -2.598 1.00 0.00 C ATOM 0 H ILE A 63 -1.761 -1.201 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 63 0.296 -3.048 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.640 -2.582 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.087 -1.665 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.078 -0.625 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.090 -3.841 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.828 -4.839 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.439 -4.113 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.681 -0.367 -2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.045 -1.051 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.039 -2.107 -1.941 1.00 0.00 H new ATOM 941 N SER A 64 -0.703 -5.257 -6.363 1.00 0.00 N ATOM 942 CA SER A 64 -1.134 -6.475 -7.109 1.00 0.00 C ATOM 943 C SER A 64 -0.993 -7.707 -6.210 1.00 0.00 C ATOM 944 O SER A 64 0.102 -8.143 -5.907 1.00 0.00 O ATOM 945 CB SER A 64 -0.258 -6.647 -8.349 1.00 0.00 C ATOM 946 OG SER A 64 1.069 -6.232 -8.050 1.00 0.00 O ATOM 0 H SER A 64 0.014 -5.416 -5.655 1.00 0.00 H new ATOM 0 HA SER A 64 -2.176 -6.365 -7.410 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.262 -7.689 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.658 -6.059 -9.175 1.00 0.00 H new ATOM 0 HG SER A 64 1.360 -6.645 -7.210 1.00 0.00 H new ATOM 952 N ALA A 65 -2.096 -8.273 -5.792 1.00 0.00 N ATOM 953 CA ALA A 65 -2.044 -9.484 -4.920 1.00 0.00 C ATOM 954 C ALA A 65 -2.033 -10.733 -5.806 1.00 0.00 C ATOM 955 O ALA A 65 -2.818 -10.852 -6.728 1.00 0.00 O ATOM 956 CB ALA A 65 -3.277 -9.514 -4.016 1.00 0.00 C ATOM 0 H ALA A 65 -3.035 -7.946 -6.019 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.145 -9.458 -4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.240 -10.398 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.294 -8.619 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.177 -9.547 -4.630 1.00 0.00 H new ATOM 962 N SER A 66 -1.147 -11.662 -5.540 1.00 0.00 N ATOM 963 CA SER A 66 -1.086 -12.900 -6.373 1.00 0.00 C ATOM 964 C SER A 66 -0.872 -14.120 -5.472 1.00 0.00 C ATOM 965 O SER A 66 0.225 -14.379 -5.015 1.00 0.00 O ATOM 966 CB SER A 66 0.070 -12.780 -7.372 1.00 0.00 C ATOM 967 OG SER A 66 -0.452 -12.815 -8.695 1.00 0.00 O ATOM 0 H SER A 66 -0.465 -11.615 -4.783 1.00 0.00 H new ATOM 0 HA SER A 66 -2.023 -13.022 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.614 -11.850 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.779 -13.595 -7.226 1.00 0.00 H new ATOM 0 HG SER A 66 0.283 -12.737 -9.339 1.00 0.00 H new ATOM 973 N GLY A 67 -1.915 -14.874 -5.223 1.00 0.00 N ATOM 974 CA GLY A 67 -1.782 -16.083 -4.357 1.00 0.00 C ATOM 975 C GLY A 67 -3.157 -16.725 -4.160 1.00 0.00 C ATOM 976 O GLY A 67 -3.913 -16.890 -5.100 1.00 0.00 O ATOM 0 H GLY A 67 -2.854 -14.702 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.098 -16.797 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.356 -15.807 -3.392 1.00 0.00 H new ATOM 980 N ALA A 68 -3.485 -17.086 -2.944 1.00 0.00 N ATOM 981 CA ALA A 68 -4.812 -17.718 -2.677 1.00 0.00 C ATOM 982 C ALA A 68 -5.836 -16.632 -2.342 1.00 0.00 C ATOM 983 O ALA A 68 -6.845 -16.491 -3.007 1.00 0.00 O ATOM 984 CB ALA A 68 -4.688 -18.684 -1.496 1.00 0.00 C ATOM 0 H ALA A 68 -2.889 -16.970 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.139 -18.265 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.656 -19.146 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.958 -19.458 -1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.361 -18.137 -0.611 1.00 0.00 H new ATOM 990 N ASP A 69 -5.580 -15.864 -1.313 1.00 0.00 N ATOM 991 CA ASP A 69 -6.531 -14.780 -0.923 1.00 0.00 C ATOM 992 C ASP A 69 -6.052 -13.449 -1.512 1.00 0.00 C ATOM 993 O ASP A 69 -5.979 -12.444 -0.830 1.00 0.00 O ATOM 994 CB ASP A 69 -6.594 -14.681 0.605 1.00 0.00 C ATOM 995 CG ASP A 69 -5.178 -14.539 1.171 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.548 -13.533 0.894 1.00 0.00 O ATOM 997 OD2 ASP A 69 -4.748 -15.442 1.869 1.00 0.00 O ATOM 0 H ASP A 69 -4.750 -15.942 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.525 -15.007 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.201 -13.825 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.074 -15.569 1.017 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.718 -13.445 -2.777 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.233 -12.192 -3.428 1.00 0.00 C ATOM 1004 C GLU A 70 -6.367 -11.160 -3.497 1.00 0.00 C ATOM 1005 O GLU A 70 -6.153 -9.982 -3.286 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.737 -12.511 -4.846 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.877 -13.102 -5.685 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.318 -13.632 -7.007 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.377 -13.040 -7.511 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.840 -14.619 -7.495 1.00 0.00 O ATOM 0 H GLU A 70 -5.761 -14.260 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.414 -11.778 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.359 -11.605 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.907 -13.216 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.367 -13.907 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.633 -12.341 -5.877 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.564 -11.595 -3.799 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.712 -10.645 -3.894 1.00 0.00 C ATOM 1019 C ASN A 71 -9.081 -10.133 -2.500 1.00 0.00 C ATOM 1020 O ASN A 71 -9.469 -8.991 -2.330 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.917 -11.365 -4.504 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.877 -11.230 -6.028 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -10.037 -10.149 -6.559 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -9.668 -12.291 -6.759 1.00 0.00 N ATOM 0 H ASN A 71 -7.796 -12.571 -3.984 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.428 -9.801 -4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.906 -12.418 -4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.843 -10.940 -4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.639 -12.212 -7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.534 -13.199 -6.314 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.969 -10.971 -1.503 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.319 -10.545 -0.117 1.00 0.00 C ATOM 1033 C ASP A 72 -8.233 -9.616 0.439 1.00 0.00 C ATOM 1034 O ASP A 72 -8.485 -8.823 1.329 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.440 -11.781 0.776 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.609 -12.641 0.295 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -10.792 -12.738 -0.908 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -11.302 -13.189 1.136 1.00 0.00 O ATOM 0 H ASP A 72 -8.649 -11.936 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.268 -10.009 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.515 -12.356 0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.597 -11.481 1.812 1.00 0.00 H new ATOM 1043 N ALA A 73 -7.029 -9.707 -0.070 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.929 -8.836 0.441 1.00 0.00 C ATOM 1045 C ALA A 73 -6.007 -7.438 -0.182 1.00 0.00 C ATOM 1046 O ALA A 73 -5.837 -6.446 0.501 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.579 -9.467 0.096 1.00 0.00 C ATOM 0 H ALA A 73 -6.762 -10.347 -0.817 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.034 -8.743 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.775 -8.832 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.508 -10.451 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.490 -9.568 -0.986 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.237 -7.347 -1.471 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.292 -6.002 -2.127 1.00 0.00 C ATOM 1055 C LEU A 74 -7.430 -5.162 -1.541 1.00 0.00 C ATOM 1056 O LEU A 74 -7.261 -3.983 -1.287 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.465 -6.156 -3.647 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.810 -6.806 -3.987 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.892 -5.724 -4.133 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.674 -7.574 -5.305 1.00 0.00 C ATOM 0 H LEU A 74 -6.388 -8.141 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.352 -5.486 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.399 -5.178 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.653 -6.762 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.096 -7.489 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.846 -6.193 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.985 -5.174 -3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.613 -5.036 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.627 -8.040 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.388 -6.885 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.910 -8.344 -5.200 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.586 -5.744 -1.327 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.717 -4.950 -0.759 1.00 0.00 C ATOM 1074 C ASN A 75 -9.438 -4.665 0.720 1.00 0.00 C ATOM 1075 O ASN A 75 -9.890 -3.674 1.264 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.043 -5.713 -0.923 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.030 -6.999 -0.095 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.152 -7.818 -0.245 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.976 -7.206 0.779 1.00 0.00 N ATOM 0 H ASN A 75 -8.793 -6.724 -1.519 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.804 -4.006 -1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.874 -5.081 -0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.203 -5.952 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.976 -8.059 1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.715 -6.514 0.904 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.687 -5.521 1.372 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.365 -5.298 2.813 1.00 0.00 C ATOM 1088 C ALA A 76 -7.597 -3.981 2.961 1.00 0.00 C ATOM 1089 O ALA A 76 -8.019 -3.083 3.664 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.502 -6.452 3.324 1.00 0.00 C ATOM 0 H ALA A 76 -8.284 -6.365 0.965 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.287 -5.250 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.266 -6.291 4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.046 -7.390 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.578 -6.498 2.747 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.472 -3.862 2.300 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.672 -2.606 2.393 1.00 0.00 C ATOM 1098 C LEU A 77 -6.449 -1.443 1.768 1.00 0.00 C ATOM 1099 O LEU A 77 -6.196 -0.295 2.073 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.346 -2.787 1.647 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.646 -4.069 2.131 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.518 -5.058 0.970 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.252 -3.728 2.661 1.00 0.00 C ATOM 0 H LEU A 77 -6.074 -4.584 1.699 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.477 -2.386 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.527 -2.844 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.702 -1.924 1.817 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.238 -4.519 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.022 -5.964 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.510 -5.309 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.931 -4.606 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.760 -4.639 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.662 -3.273 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.340 -3.029 3.493 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.383 -1.726 0.891 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.166 -0.629 0.244 1.00 0.00 C ATOM 1117 C GLU A 78 -8.990 0.121 1.300 1.00 0.00 C ATOM 1118 O GLU A 78 -8.799 1.302 1.517 1.00 0.00 O ATOM 1119 CB GLU A 78 -9.103 -1.233 -0.813 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.900 -0.122 -1.517 1.00 0.00 C ATOM 1121 CD GLU A 78 -11.381 -0.224 -1.144 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -11.666 -0.397 0.030 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -12.205 -0.129 -2.039 1.00 0.00 O ATOM 0 H GLU A 78 -7.636 -2.669 0.596 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.481 0.073 -0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.522 -1.794 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.788 -1.938 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.510 0.855 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.782 -0.207 -2.597 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.912 -0.551 1.948 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.757 0.127 2.980 1.00 0.00 C ATOM 1132 C GLU A 79 -9.870 0.677 4.101 1.00 0.00 C ATOM 1133 O GLU A 79 -10.149 1.719 4.662 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.761 -0.874 3.559 1.00 0.00 C ATOM 1135 CG GLU A 79 -11.018 -2.086 4.128 1.00 0.00 C ATOM 1136 CD GLU A 79 -10.821 -1.908 5.634 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -11.706 -1.357 6.266 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -9.788 -2.327 6.129 1.00 0.00 O ATOM 0 H GLU A 79 -10.115 -1.540 1.806 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.296 0.953 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.352 -0.398 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.457 -1.194 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.583 -2.997 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.052 -2.197 3.635 1.00 0.00 H new ATOM 1145 N THR A 80 -8.801 -0.008 4.425 1.00 0.00 N ATOM 1146 CA THR A 80 -7.891 0.485 5.504 1.00 0.00 C ATOM 1147 C THR A 80 -7.288 1.825 5.073 1.00 0.00 C ATOM 1148 O THR A 80 -7.036 2.695 5.884 1.00 0.00 O ATOM 1149 CB THR A 80 -6.767 -0.533 5.730 1.00 0.00 C ATOM 1150 OG1 THR A 80 -7.333 -1.806 6.008 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.901 -0.088 6.910 1.00 0.00 C ATOM 0 H THR A 80 -8.520 -0.886 3.989 1.00 0.00 H new ATOM 0 HA THR A 80 -8.452 0.613 6.430 1.00 0.00 H new ATOM 0 HB THR A 80 -6.149 -0.597 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.263 -1.695 6.296 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.103 -0.813 7.069 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.467 0.888 6.695 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.516 -0.022 7.808 1.00 0.00 H new ATOM 1159 N MET A 81 -7.069 1.989 3.795 1.00 0.00 N ATOM 1160 CA MET A 81 -6.495 3.264 3.278 1.00 0.00 C ATOM 1161 C MET A 81 -7.548 4.369 3.383 1.00 0.00 C ATOM 1162 O MET A 81 -7.229 5.529 3.563 1.00 0.00 O ATOM 1163 CB MET A 81 -6.100 3.076 1.810 1.00 0.00 C ATOM 1164 CG MET A 81 -4.789 2.288 1.725 1.00 0.00 C ATOM 1165 SD MET A 81 -3.392 3.432 1.596 1.00 0.00 S ATOM 1166 CE MET A 81 -2.619 2.681 0.142 1.00 0.00 C ATOM 0 H MET A 81 -7.265 1.287 3.082 1.00 0.00 H new ATOM 0 HA MET A 81 -5.617 3.539 3.863 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.889 2.547 1.276 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.984 4.046 1.327 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.675 1.658 2.607 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.808 1.625 0.860 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.579 3.001 0.077 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.660 1.595 0.228 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.152 2.994 -0.756 1.00 0.00 H new ATOM 1176 N LYS A 82 -8.801 4.012 3.265 1.00 0.00 N ATOM 1177 CA LYS A 82 -9.892 5.027 3.349 1.00 0.00 C ATOM 1178 C LYS A 82 -10.222 5.335 4.817 1.00 0.00 C ATOM 1179 O LYS A 82 -10.815 6.353 5.119 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.139 4.479 2.651 1.00 0.00 C ATOM 1181 CG LYS A 82 -10.889 4.403 1.142 1.00 0.00 C ATOM 1182 CD LYS A 82 -10.959 5.807 0.536 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.397 6.324 0.610 1.00 0.00 C ATOM 1184 NZ LYS A 82 -12.547 7.503 -0.291 1.00 0.00 N ATOM 0 H LYS A 82 -9.117 3.054 3.113 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.564 5.946 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.381 3.490 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.995 5.121 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.912 3.961 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.631 3.757 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.291 6.480 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.622 5.784 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.093 5.538 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.643 6.602 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.524 7.856 -0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.893 8.254 0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.329 7.223 -1.269 1.00 0.00 H new ATOM 1198 N SER A 83 -9.848 4.468 5.727 1.00 0.00 N ATOM 1199 CA SER A 83 -10.149 4.714 7.170 1.00 0.00 C ATOM 1200 C SER A 83 -9.119 5.684 7.755 1.00 0.00 C ATOM 1201 O SER A 83 -9.462 6.613 8.460 1.00 0.00 O ATOM 1202 CB SER A 83 -10.095 3.391 7.934 1.00 0.00 C ATOM 1203 OG SER A 83 -8.744 2.956 8.024 1.00 0.00 O ATOM 0 H SER A 83 -9.347 3.601 5.531 1.00 0.00 H new ATOM 0 HA SER A 83 -11.145 5.148 7.262 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.516 3.516 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.698 2.639 7.425 1.00 0.00 H new ATOM 0 HG SER A 83 -8.354 2.913 7.126 1.00 0.00 H new ATOM 1209 N GLU A 84 -7.859 5.468 7.471 1.00 0.00 N ATOM 1210 CA GLU A 84 -6.800 6.371 8.011 1.00 0.00 C ATOM 1211 C GLU A 84 -6.708 7.633 7.149 1.00 0.00 C ATOM 1212 O GLU A 84 -6.338 8.690 7.623 1.00 0.00 O ATOM 1213 CB GLU A 84 -5.456 5.642 7.995 1.00 0.00 C ATOM 1214 CG GLU A 84 -5.274 4.879 9.308 1.00 0.00 C ATOM 1215 CD GLU A 84 -4.576 5.780 10.329 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -3.357 5.776 10.358 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -5.273 6.459 11.065 1.00 0.00 O ATOM 0 H GLU A 84 -7.519 4.704 6.887 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.051 6.652 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.415 4.952 7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.644 6.357 7.862 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.242 4.558 9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.684 3.978 9.139 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.039 7.525 5.886 1.00 0.00 N ATOM 1225 CA GLY A 85 -6.968 8.714 4.986 1.00 0.00 C ATOM 1226 C GLY A 85 -5.605 8.744 4.294 1.00 0.00 C ATOM 1227 O GLY A 85 -5.069 9.798 4.005 1.00 0.00 O ATOM 0 H GLY A 85 -7.355 6.664 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.765 8.670 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.117 9.628 5.560 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.043 7.592 4.029 1.00 0.00 N ATOM 1232 CA LEU A 86 -3.713 7.539 3.357 1.00 0.00 C ATOM 1233 C LEU A 86 -3.897 7.707 1.848 1.00 0.00 C ATOM 1234 O LEU A 86 -3.383 8.634 1.252 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.054 6.188 3.642 1.00 0.00 C ATOM 1236 CG LEU A 86 -2.678 6.107 5.122 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.145 4.710 5.432 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -1.594 7.143 5.432 1.00 0.00 C ATOM 0 H LEU A 86 -5.451 6.684 4.251 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.081 8.341 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.735 5.377 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.165 6.067 3.023 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.558 6.308 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.876 4.649 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.914 3.970 5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.264 4.513 4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.326 7.085 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.713 6.941 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.970 8.141 5.207 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.629 6.815 1.230 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.854 6.915 -0.242 1.00 0.00 C ATOM 1252 C GLY A 87 -6.290 6.497 -0.569 1.00 0.00 C ATOM 1253 O GLY A 87 -7.094 6.270 0.315 1.00 0.00 O ATOM 0 H GLY A 87 -5.081 6.021 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.675 7.936 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.148 6.276 -0.773 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.612 6.394 -1.833 1.00 0.00 N ATOM 1258 CA GLU A 88 -7.994 5.991 -2.229 1.00 0.00 C ATOM 1259 C GLU A 88 -7.928 4.736 -3.105 1.00 0.00 C ATOM 1260 O GLU A 88 -6.966 4.602 -3.842 1.00 0.00 O ATOM 1261 CB GLU A 88 -8.654 7.127 -3.015 1.00 0.00 C ATOM 1262 CG GLU A 88 -7.739 7.562 -4.166 1.00 0.00 C ATOM 1263 CD GLU A 88 -8.575 7.812 -5.424 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -9.440 7.000 -5.708 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -8.334 8.810 -6.083 1.00 0.00 O ATOM 1266 OXT GLU A 88 -8.841 3.932 -3.021 1.00 0.00 O ATOM 0 H GLU A 88 -5.975 6.572 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.580 5.781 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.616 6.799 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.850 7.972 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.198 8.468 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.993 6.792 -4.361 1.00 0.00 H new TER 1273 GLU A 88