USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 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 Single : A 3 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.16) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= -0.233 (180deg=-0.277) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= -0.0534 (180deg=-0.589) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -79:sc= 0.0934 USER MOD Single : A 15 HIS : no HD1:sc= -2.7! X(o=-2.7!,f=-2.5) USER MOD Single : A 20 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 25 THR OG1 : rot 81:sc= -0.0511 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -109:sc= -0.0161 (180deg=-0.225) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.822 USER MOD Single : A 34 ASN : amide:sc= -1.9 K(o=-1.9,f=-2.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.109 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= -0.809 K(o=-0.81,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ -99:sc= -0.84 (180deg=-1.51) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -74:sc= 0.496 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 180:sc= 0 USER MOD Single : A 66 SER OG : rot 3:sc= 0.27 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.68 K(o=-5.7,f=-19!) USER MOD Single : A 80 THR OG1 : rot 63:sc= 0.357 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -50:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.301 -2.521 10.775 1.00 0.00 N ATOM 2 CA ALA A 2 10.281 -1.795 9.470 1.00 0.00 C ATOM 3 C ALA A 2 8.831 -1.573 9.034 1.00 0.00 C ATOM 4 O ALA A 2 8.098 -2.513 8.790 1.00 0.00 O ATOM 5 CB ALA A 2 11.010 -2.626 8.414 1.00 0.00 C ATOM 0 HA ALA A 2 10.779 -0.832 9.581 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.996 -2.097 7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.042 -2.785 8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.512 -3.589 8.302 1.00 0.00 H new ATOM 11 N GLN A 3 8.415 -0.335 8.937 1.00 0.00 N ATOM 12 CA GLN A 3 7.012 -0.038 8.519 1.00 0.00 C ATOM 13 C GLN A 3 6.803 1.478 8.484 1.00 0.00 C ATOM 14 O GLN A 3 7.526 2.227 9.114 1.00 0.00 O ATOM 15 CB GLN A 3 6.031 -0.662 9.520 1.00 0.00 C ATOM 16 CG GLN A 3 6.387 -0.219 10.941 1.00 0.00 C ATOM 17 CD GLN A 3 5.775 -1.195 11.947 1.00 0.00 C ATOM 18 OE1 GLN A 3 6.020 -2.384 11.884 1.00 0.00 O ATOM 19 NE2 GLN A 3 4.981 -0.742 12.878 1.00 0.00 N ATOM 0 H GLN A 3 8.990 0.485 9.130 1.00 0.00 H new ATOM 0 HA GLN A 3 6.834 -0.457 7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.011 -0.360 9.280 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.067 -1.749 9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.470 -0.186 11.063 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.015 0.789 11.123 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.775 0.256 12.932 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.566 -1.385 13.552 1.00 0.00 H new ATOM 28 N LYS A 4 5.818 1.932 7.751 1.00 0.00 N ATOM 29 CA LYS A 4 5.551 3.399 7.668 1.00 0.00 C ATOM 30 C LYS A 4 4.040 3.642 7.716 1.00 0.00 C ATOM 31 O LYS A 4 3.253 2.714 7.701 1.00 0.00 O ATOM 32 CB LYS A 4 6.125 3.948 6.352 1.00 0.00 C ATOM 33 CG LYS A 4 7.294 4.892 6.647 1.00 0.00 C ATOM 34 CD LYS A 4 7.413 5.925 5.524 1.00 0.00 C ATOM 35 CE LYS A 4 6.661 7.199 5.918 1.00 0.00 C ATOM 36 NZ LYS A 4 6.465 8.053 4.713 1.00 0.00 N ATOM 0 H LYS A 4 5.185 1.347 7.205 1.00 0.00 H new ATOM 0 HA LYS A 4 6.025 3.908 8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.461 3.126 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.349 4.478 5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.138 5.394 7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.221 4.324 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.462 6.153 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.004 5.520 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.696 6.944 6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.222 7.745 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.868 8.868 4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.388 8.390 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.002 7.497 3.965 1.00 0.00 H new ATOM 50 N THR A 5 3.635 4.884 7.770 1.00 0.00 N ATOM 51 CA THR A 5 2.178 5.203 7.817 1.00 0.00 C ATOM 52 C THR A 5 1.852 6.246 6.748 1.00 0.00 C ATOM 53 O THR A 5 2.477 7.289 6.678 1.00 0.00 O ATOM 54 CB THR A 5 1.820 5.758 9.197 1.00 0.00 C ATOM 55 OG1 THR A 5 2.457 4.978 10.200 1.00 0.00 O ATOM 56 CG2 THR A 5 0.305 5.706 9.393 1.00 0.00 C ATOM 0 H THR A 5 4.254 5.695 7.784 1.00 0.00 H new ATOM 0 HA THR A 5 1.601 4.297 7.630 1.00 0.00 H new ATOM 0 HB THR A 5 2.158 6.792 9.271 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.230 5.334 11.084 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.052 6.102 10.377 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.182 6.306 8.624 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.036 4.674 9.318 1.00 0.00 H new ATOM 64 N PHE A 6 0.882 5.973 5.913 1.00 0.00 N ATOM 65 CA PHE A 6 0.512 6.945 4.843 1.00 0.00 C ATOM 66 C PHE A 6 -0.956 7.346 4.998 1.00 0.00 C ATOM 67 O PHE A 6 -1.794 6.539 5.358 1.00 0.00 O ATOM 68 CB PHE A 6 0.716 6.299 3.471 1.00 0.00 C ATOM 69 CG PHE A 6 2.179 5.984 3.272 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.733 4.838 3.852 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.980 6.837 2.503 1.00 0.00 C ATOM 72 CE1 PHE A 6 4.088 4.544 3.664 1.00 0.00 C ATOM 73 CE2 PHE A 6 4.335 6.543 2.316 1.00 0.00 C ATOM 74 CZ PHE A 6 4.890 5.397 2.896 1.00 0.00 C ATOM 0 H PHE A 6 0.329 5.116 5.927 1.00 0.00 H new ATOM 0 HA PHE A 6 1.143 7.830 4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.124 5.387 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.368 6.971 2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.115 4.180 4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.552 7.721 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.515 3.659 4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.953 7.201 1.723 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.936 5.171 2.751 1.00 0.00 H new ATOM 84 N LYS A 7 -1.271 8.585 4.724 1.00 0.00 N ATOM 85 CA LYS A 7 -2.683 9.052 4.845 1.00 0.00 C ATOM 86 C LYS A 7 -3.328 9.064 3.459 1.00 0.00 C ATOM 87 O LYS A 7 -2.790 9.624 2.522 1.00 0.00 O ATOM 88 CB LYS A 7 -2.706 10.465 5.434 1.00 0.00 C ATOM 89 CG LYS A 7 -2.992 10.394 6.937 1.00 0.00 C ATOM 90 CD LYS A 7 -3.872 11.577 7.349 1.00 0.00 C ATOM 91 CE LYS A 7 -5.344 11.165 7.285 1.00 0.00 C ATOM 92 NZ LYS A 7 -5.885 11.466 5.929 1.00 0.00 N ATOM 0 H LYS A 7 -0.607 9.297 4.420 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.237 8.380 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.750 10.958 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.469 11.064 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.491 9.455 7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.057 10.411 7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.617 11.899 8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.692 12.425 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.445 10.101 7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.916 11.700 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.924 11.480 5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.537 12.394 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.572 10.734 5.260 1.00 0.00 H new ATOM 106 N VAL A 8 -4.476 8.451 3.322 1.00 0.00 N ATOM 107 CA VAL A 8 -5.162 8.422 1.998 1.00 0.00 C ATOM 108 C VAL A 8 -6.073 9.643 1.865 1.00 0.00 C ATOM 109 O VAL A 8 -6.919 9.893 2.704 1.00 0.00 O ATOM 110 CB VAL A 8 -6.002 7.149 1.883 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.577 7.046 0.469 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.122 5.930 2.165 1.00 0.00 C ATOM 0 H VAL A 8 -4.968 7.968 4.074 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.414 8.438 1.205 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.817 7.184 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.176 6.139 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.203 7.915 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.762 7.010 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.720 5.023 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.307 5.894 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.710 6.004 3.172 1.00 0.00 H new ATOM 122 N THR A 9 -5.906 10.401 0.811 1.00 0.00 N ATOM 123 CA THR A 9 -6.760 11.606 0.606 1.00 0.00 C ATOM 124 C THR A 9 -7.253 11.653 -0.845 1.00 0.00 C ATOM 125 O THR A 9 -7.610 12.700 -1.351 1.00 0.00 O ATOM 126 CB THR A 9 -5.939 12.863 0.901 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.192 12.668 2.094 1.00 0.00 O ATOM 128 CG2 THR A 9 -6.874 14.062 1.071 1.00 0.00 C ATOM 0 H THR A 9 -5.212 10.235 0.082 1.00 0.00 H new ATOM 0 HA THR A 9 -7.618 11.558 1.277 1.00 0.00 H new ATOM 0 HB THR A 9 -5.258 13.055 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.664 13.471 2.284 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.286 14.955 1.281 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.445 14.211 0.155 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.558 13.875 1.899 1.00 0.00 H new ATOM 136 N ALA A 10 -7.277 10.526 -1.517 1.00 0.00 N ATOM 137 CA ALA A 10 -7.748 10.504 -2.934 1.00 0.00 C ATOM 138 C ALA A 10 -9.210 10.952 -2.993 1.00 0.00 C ATOM 139 O ALA A 10 -9.895 10.990 -1.989 1.00 0.00 O ATOM 140 CB ALA A 10 -7.626 9.083 -3.488 1.00 0.00 C ATOM 0 H ALA A 10 -6.990 9.621 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.137 11.181 -3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.969 9.065 -4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.585 8.764 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.237 8.406 -2.891 1.00 0.00 H new ATOM 146 N ASP A 11 -9.686 11.298 -4.161 1.00 0.00 N ATOM 147 CA ASP A 11 -11.102 11.750 -4.295 1.00 0.00 C ATOM 148 C ASP A 11 -12.052 10.567 -4.083 1.00 0.00 C ATOM 149 O ASP A 11 -13.185 10.740 -3.675 1.00 0.00 O ATOM 150 CB ASP A 11 -11.320 12.336 -5.692 1.00 0.00 C ATOM 151 CG ASP A 11 -10.880 11.322 -6.748 1.00 0.00 C ATOM 152 OD1 ASP A 11 -11.467 10.254 -6.797 1.00 0.00 O ATOM 153 OD2 ASP A 11 -9.962 11.630 -7.491 1.00 0.00 O ATOM 0 H ASP A 11 -9.153 11.287 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.307 12.511 -3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.371 12.588 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.753 13.260 -5.802 1.00 0.00 H new ATOM 158 N SER A 12 -11.600 9.369 -4.362 1.00 0.00 N ATOM 159 CA SER A 12 -12.479 8.174 -4.184 1.00 0.00 C ATOM 160 C SER A 12 -11.972 7.324 -3.016 1.00 0.00 C ATOM 161 O SER A 12 -12.699 7.048 -2.080 1.00 0.00 O ATOM 162 CB SER A 12 -12.462 7.338 -5.464 1.00 0.00 C ATOM 163 OG SER A 12 -11.133 7.276 -5.966 1.00 0.00 O ATOM 0 H SER A 12 -10.661 9.168 -4.705 1.00 0.00 H new ATOM 0 HA SER A 12 -13.496 8.504 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.834 6.334 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.124 7.779 -6.209 1.00 0.00 H new ATOM 0 HG SER A 12 -10.925 8.106 -6.444 1.00 0.00 H new ATOM 169 N GLY A 13 -10.733 6.906 -3.068 1.00 0.00 N ATOM 170 CA GLY A 13 -10.171 6.071 -1.970 1.00 0.00 C ATOM 171 C GLY A 13 -9.117 5.118 -2.541 1.00 0.00 C ATOM 172 O GLY A 13 -8.214 5.530 -3.245 1.00 0.00 O ATOM 0 H GLY A 13 -10.085 7.110 -3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.725 6.708 -1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.966 5.503 -1.487 1.00 0.00 H new ATOM 176 N ILE A 14 -9.227 3.846 -2.240 1.00 0.00 N ATOM 177 CA ILE A 14 -8.233 2.860 -2.763 1.00 0.00 C ATOM 178 C ILE A 14 -8.951 1.567 -3.156 1.00 0.00 C ATOM 179 O ILE A 14 -9.089 0.659 -2.357 1.00 0.00 O ATOM 180 CB ILE A 14 -7.198 2.545 -1.679 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.607 3.847 -1.137 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.079 1.691 -2.278 1.00 0.00 C ATOM 183 CD1 ILE A 14 -5.731 3.543 0.080 1.00 0.00 C ATOM 0 H ILE A 14 -9.962 3.450 -1.655 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.734 3.285 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.680 2.001 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.016 4.340 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.407 4.534 -0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.341 1.466 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.497 0.761 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.600 2.237 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.310 4.471 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.335 3.069 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.923 2.872 -0.212 1.00 0.00 H new ATOM 195 N HIS A 15 -9.408 1.478 -4.380 1.00 0.00 N ATOM 196 CA HIS A 15 -10.117 0.245 -4.826 1.00 0.00 C ATOM 197 C HIS A 15 -9.214 -0.550 -5.802 1.00 0.00 C ATOM 198 O HIS A 15 -8.022 -0.654 -5.583 1.00 0.00 O ATOM 199 CB HIS A 15 -11.463 0.639 -5.460 1.00 0.00 C ATOM 200 CG HIS A 15 -11.247 1.554 -6.632 1.00 0.00 C ATOM 201 ND1 HIS A 15 -11.374 1.120 -7.941 1.00 0.00 N ATOM 202 CD2 HIS A 15 -10.941 2.891 -6.710 1.00 0.00 C ATOM 203 CE1 HIS A 15 -11.149 2.177 -8.741 1.00 0.00 C ATOM 204 NE2 HIS A 15 -10.881 3.282 -8.042 1.00 0.00 N ATOM 0 H HIS A 15 -9.320 2.207 -5.088 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.327 -0.406 -3.978 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.995 -0.256 -5.783 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -12.091 1.132 -4.718 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.772 3.540 -5.864 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.181 2.137 -9.820 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.676 4.212 -8.407 1.00 0.00 H new ATOM 212 N ALA A 16 -9.760 -1.147 -6.842 1.00 0.00 N ATOM 213 CA ALA A 16 -8.924 -1.965 -7.780 1.00 0.00 C ATOM 214 C ALA A 16 -7.922 -1.110 -8.571 1.00 0.00 C ATOM 215 O ALA A 16 -6.779 -1.491 -8.726 1.00 0.00 O ATOM 216 CB ALA A 16 -9.844 -2.690 -8.764 1.00 0.00 C ATOM 0 H ALA A 16 -10.751 -1.101 -7.079 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.353 -2.673 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.244 -3.288 -9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.523 -3.341 -8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.421 -1.958 -9.329 1.00 0.00 H new ATOM 222 N ARG A 17 -8.337 0.015 -9.105 1.00 0.00 N ATOM 223 CA ARG A 17 -7.397 0.857 -9.922 1.00 0.00 C ATOM 224 C ARG A 17 -6.102 1.175 -9.139 1.00 0.00 C ATOM 225 O ARG A 17 -5.024 0.879 -9.619 1.00 0.00 O ATOM 226 CB ARG A 17 -8.086 2.162 -10.331 1.00 0.00 C ATOM 227 CG ARG A 17 -8.690 2.007 -11.728 1.00 0.00 C ATOM 228 CD ARG A 17 -8.652 3.352 -12.458 1.00 0.00 C ATOM 229 NE ARG A 17 -9.873 3.494 -13.301 1.00 0.00 N ATOM 230 CZ ARG A 17 -10.088 2.666 -14.288 1.00 0.00 C ATOM 231 NH1 ARG A 17 -9.260 2.620 -15.295 1.00 0.00 N ATOM 232 NH2 ARG A 17 -11.131 1.882 -14.265 1.00 0.00 N ATOM 0 H ARG A 17 -9.282 0.388 -9.012 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.126 0.290 -10.813 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.866 2.414 -9.612 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.368 2.982 -10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.135 1.259 -12.294 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.718 1.652 -11.653 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.598 4.168 -11.737 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.759 3.416 -13.079 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.542 4.239 -13.107 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.444 3.231 -15.312 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.429 1.973 -16.065 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.777 1.916 -13.477 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.300 1.235 -15.035 1.00 0.00 H new ATOM 246 N PRO A 18 -6.220 1.768 -7.964 1.00 0.00 N ATOM 247 CA PRO A 18 -5.034 2.113 -7.156 1.00 0.00 C ATOM 248 C PRO A 18 -4.424 0.857 -6.524 1.00 0.00 C ATOM 249 O PRO A 18 -3.261 0.839 -6.169 1.00 0.00 O ATOM 250 CB PRO A 18 -5.580 3.066 -6.089 1.00 0.00 C ATOM 251 CG PRO A 18 -7.094 2.785 -5.992 1.00 0.00 C ATOM 252 CD PRO A 18 -7.507 2.137 -7.325 1.00 0.00 C ATOM 0 HA PRO A 18 -4.235 2.565 -7.745 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.091 2.897 -5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.394 4.104 -6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.312 2.122 -5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.649 3.707 -5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.137 1.262 -7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.076 2.830 -7.945 1.00 0.00 H new ATOM 260 N ALA A 19 -5.196 -0.194 -6.392 1.00 0.00 N ATOM 261 CA ALA A 19 -4.656 -1.452 -5.796 1.00 0.00 C ATOM 262 C ALA A 19 -3.788 -2.183 -6.830 1.00 0.00 C ATOM 263 O ALA A 19 -2.976 -3.019 -6.480 1.00 0.00 O ATOM 264 CB ALA A 19 -5.817 -2.356 -5.376 1.00 0.00 C ATOM 0 H ALA A 19 -6.176 -0.233 -6.672 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.050 -1.207 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.424 -3.275 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.432 -1.840 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.423 -2.599 -6.249 1.00 0.00 H new ATOM 270 N THR A 20 -3.951 -1.878 -8.098 1.00 0.00 N ATOM 271 CA THR A 20 -3.137 -2.555 -9.148 1.00 0.00 C ATOM 272 C THR A 20 -1.823 -1.794 -9.339 1.00 0.00 C ATOM 273 O THR A 20 -0.784 -2.384 -9.571 1.00 0.00 O ATOM 274 CB THR A 20 -3.915 -2.571 -10.467 1.00 0.00 C ATOM 275 OG1 THR A 20 -5.196 -3.143 -10.251 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.153 -3.398 -11.503 1.00 0.00 C ATOM 0 H THR A 20 -4.616 -1.187 -8.447 1.00 0.00 H new ATOM 0 HA THR A 20 -2.924 -3.579 -8.841 1.00 0.00 H new ATOM 0 HB THR A 20 -4.029 -1.551 -10.834 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.783 -2.481 -9.831 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.709 -3.408 -12.441 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.170 -2.958 -11.668 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.037 -4.419 -11.139 1.00 0.00 H new ATOM 284 N VAL A 21 -1.863 -0.490 -9.238 1.00 0.00 N ATOM 285 CA VAL A 21 -0.615 0.313 -9.404 1.00 0.00 C ATOM 286 C VAL A 21 0.254 0.154 -8.155 1.00 0.00 C ATOM 287 O VAL A 21 1.470 0.155 -8.228 1.00 0.00 O ATOM 288 CB VAL A 21 -0.979 1.789 -9.588 1.00 0.00 C ATOM 289 CG1 VAL A 21 0.285 2.593 -9.897 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.967 1.930 -10.748 1.00 0.00 C ATOM 0 H VAL A 21 -2.705 0.053 -9.048 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.067 -0.036 -10.279 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.435 2.166 -8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.025 3.643 -10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.990 2.494 -9.072 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.742 2.216 -10.812 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.226 2.981 -10.879 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.511 1.552 -11.663 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.869 1.358 -10.529 1.00 0.00 H new ATOM 300 N LEU A 22 -0.363 0.015 -7.009 1.00 0.00 N ATOM 301 CA LEU A 22 0.412 -0.144 -5.745 1.00 0.00 C ATOM 302 C LEU A 22 0.957 -1.573 -5.647 1.00 0.00 C ATOM 303 O LEU A 22 2.103 -1.783 -5.298 1.00 0.00 O ATOM 304 CB LEU A 22 -0.501 0.140 -4.550 1.00 0.00 C ATOM 305 CG LEU A 22 -0.962 1.599 -4.595 1.00 0.00 C ATOM 306 CD1 LEU A 22 -2.149 1.790 -3.648 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.188 2.511 -4.159 1.00 0.00 C ATOM 0 H LEU A 22 -1.377 0.005 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 22 1.246 0.558 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.364 -0.526 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.030 -0.056 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.263 1.852 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.477 2.829 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.969 1.141 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.848 1.536 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.140 3.550 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.489 2.256 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.034 2.377 -4.833 1.00 0.00 H new ATOM 319 N VAL A 23 0.143 -2.556 -5.951 1.00 0.00 N ATOM 320 CA VAL A 23 0.610 -3.973 -5.874 1.00 0.00 C ATOM 321 C VAL A 23 1.763 -4.189 -6.862 1.00 0.00 C ATOM 322 O VAL A 23 2.626 -5.017 -6.646 1.00 0.00 O ATOM 323 CB VAL A 23 -0.556 -4.920 -6.212 1.00 0.00 C ATOM 324 CG1 VAL A 23 -1.042 -4.666 -7.641 1.00 0.00 C ATOM 325 CG2 VAL A 23 -0.098 -6.379 -6.077 1.00 0.00 C ATOM 0 H VAL A 23 -0.825 -2.436 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 23 0.961 -4.185 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.375 -4.732 -5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.867 -5.341 -7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.381 -3.634 -7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.224 -4.842 -8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.927 -7.044 -6.317 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.728 -6.566 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.231 -6.564 -5.054 1.00 0.00 H new ATOM 335 N GLN A 24 1.771 -3.453 -7.942 1.00 0.00 N ATOM 336 CA GLN A 24 2.858 -3.609 -8.953 1.00 0.00 C ATOM 337 C GLN A 24 4.178 -3.096 -8.372 1.00 0.00 C ATOM 338 O GLN A 24 5.209 -3.726 -8.508 1.00 0.00 O ATOM 339 CB GLN A 24 2.505 -2.805 -10.207 1.00 0.00 C ATOM 340 CG GLN A 24 1.485 -3.583 -11.041 1.00 0.00 C ATOM 341 CD GLN A 24 2.216 -4.437 -12.078 1.00 0.00 C ATOM 342 OE1 GLN A 24 3.233 -5.034 -11.782 1.00 0.00 O ATOM 343 NE2 GLN A 24 1.740 -4.522 -13.289 1.00 0.00 N ATOM 0 H GLN A 24 1.069 -2.748 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 24 2.963 -4.662 -9.213 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.097 -1.834 -9.927 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.403 -2.615 -10.795 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.879 -4.218 -10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.804 -2.892 -11.538 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.887 -4.021 -13.538 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.221 -5.089 -13.987 1.00 0.00 H new ATOM 352 N THR A 25 4.151 -1.956 -7.728 1.00 0.00 N ATOM 353 CA THR A 25 5.402 -1.392 -7.139 1.00 0.00 C ATOM 354 C THR A 25 5.963 -2.354 -6.087 1.00 0.00 C ATOM 355 O THR A 25 7.157 -2.575 -6.013 1.00 0.00 O ATOM 356 CB THR A 25 5.094 -0.045 -6.482 1.00 0.00 C ATOM 357 OG1 THR A 25 4.426 0.792 -7.414 1.00 0.00 O ATOM 358 CG2 THR A 25 6.400 0.619 -6.040 1.00 0.00 C ATOM 0 H THR A 25 3.314 -1.391 -7.585 1.00 0.00 H new ATOM 0 HA THR A 25 6.139 -1.255 -7.930 1.00 0.00 H new ATOM 0 HB THR A 25 4.456 -0.201 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.475 0.557 -7.442 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.180 1.579 -5.572 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.912 -0.025 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.040 0.777 -6.908 1.00 0.00 H new ATOM 366 N ALA A 26 5.110 -2.925 -5.274 1.00 0.00 N ATOM 367 CA ALA A 26 5.588 -3.871 -4.221 1.00 0.00 C ATOM 368 C ALA A 26 5.999 -5.203 -4.859 1.00 0.00 C ATOM 369 O ALA A 26 6.789 -5.943 -4.305 1.00 0.00 O ATOM 370 CB ALA A 26 4.464 -4.117 -3.212 1.00 0.00 C ATOM 0 H ALA A 26 4.101 -2.776 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 26 6.450 -3.436 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.810 -4.807 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.177 -3.173 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.603 -4.547 -3.724 1.00 0.00 H new ATOM 376 N SER A 27 5.468 -5.514 -6.017 1.00 0.00 N ATOM 377 CA SER A 27 5.824 -6.798 -6.689 1.00 0.00 C ATOM 378 C SER A 27 7.293 -6.767 -7.116 1.00 0.00 C ATOM 379 O SER A 27 7.946 -7.791 -7.195 1.00 0.00 O ATOM 380 CB SER A 27 4.941 -6.988 -7.923 1.00 0.00 C ATOM 381 OG SER A 27 5.434 -8.077 -8.691 1.00 0.00 O ATOM 0 H SER A 27 4.802 -4.931 -6.525 1.00 0.00 H new ATOM 0 HA SER A 27 5.667 -7.624 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.911 -7.178 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.935 -6.078 -8.523 1.00 0.00 H new ATOM 0 HG SER A 27 4.869 -8.202 -9.482 1.00 0.00 H new ATOM 387 N LYS A 28 7.816 -5.599 -7.392 1.00 0.00 N ATOM 388 CA LYS A 28 9.242 -5.490 -7.816 1.00 0.00 C ATOM 389 C LYS A 28 10.162 -6.011 -6.705 1.00 0.00 C ATOM 390 O LYS A 28 11.282 -6.413 -6.958 1.00 0.00 O ATOM 391 CB LYS A 28 9.573 -4.025 -8.103 1.00 0.00 C ATOM 392 CG LYS A 28 8.753 -3.541 -9.301 1.00 0.00 C ATOM 393 CD LYS A 28 9.144 -2.101 -9.644 1.00 0.00 C ATOM 394 CE LYS A 28 10.185 -2.103 -10.766 1.00 0.00 C ATOM 395 NZ LYS A 28 11.549 -1.980 -10.179 1.00 0.00 N ATOM 0 H LYS A 28 7.313 -4.713 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 28 9.395 -6.087 -8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.354 -3.413 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.638 -3.915 -8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.927 -4.190 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.689 -3.595 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.263 -1.538 -9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.547 -1.603 -8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.109 -3.023 -11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.997 -1.277 -11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.935 -1.038 -10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.496 -2.108 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.170 -2.708 -10.587 1.00 0.00 H new ATOM 409 N TYR A 29 9.702 -6.000 -5.476 1.00 0.00 N ATOM 410 CA TYR A 29 10.553 -6.486 -4.349 1.00 0.00 C ATOM 411 C TYR A 29 10.027 -7.832 -3.847 1.00 0.00 C ATOM 412 O TYR A 29 8.837 -8.021 -3.679 1.00 0.00 O ATOM 413 CB TYR A 29 10.521 -5.464 -3.210 1.00 0.00 C ATOM 414 CG TYR A 29 10.908 -4.106 -3.747 1.00 0.00 C ATOM 415 CD1 TYR A 29 9.948 -3.305 -4.377 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.226 -3.651 -3.622 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.306 -2.050 -4.881 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.583 -2.395 -4.126 1.00 0.00 C ATOM 419 CZ TYR A 29 11.624 -1.594 -4.756 1.00 0.00 C ATOM 420 OH TYR A 29 11.975 -0.354 -5.254 1.00 0.00 O ATOM 0 H TYR A 29 8.773 -5.675 -5.207 1.00 0.00 H new ATOM 0 HA TYR A 29 11.578 -6.610 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.524 -5.423 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.207 -5.764 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.931 -3.656 -4.474 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.967 -4.269 -3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.565 -1.432 -5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.600 -2.044 -4.029 1.00 0.00 H new ATOM 0 HH TYR A 29 12.926 -0.190 -5.084 1.00 0.00 H new ATOM 430 N ASP A 30 10.911 -8.769 -3.607 1.00 0.00 N ATOM 431 CA ASP A 30 10.478 -10.110 -3.115 1.00 0.00 C ATOM 432 C ASP A 30 10.201 -10.068 -1.605 1.00 0.00 C ATOM 433 O ASP A 30 9.784 -11.054 -1.026 1.00 0.00 O ATOM 434 CB ASP A 30 11.580 -11.134 -3.398 1.00 0.00 C ATOM 435 CG ASP A 30 11.923 -11.118 -4.889 1.00 0.00 C ATOM 436 OD1 ASP A 30 11.013 -10.953 -5.684 1.00 0.00 O ATOM 437 OD2 ASP A 30 13.090 -11.272 -5.209 1.00 0.00 O ATOM 0 H ASP A 30 11.918 -8.660 -3.732 1.00 0.00 H new ATOM 0 HA ASP A 30 9.562 -10.394 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.467 -10.902 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.251 -12.130 -3.101 1.00 0.00 H new ATOM 442 N ALA A 31 10.426 -8.945 -0.957 1.00 0.00 N ATOM 443 CA ALA A 31 10.171 -8.860 0.514 1.00 0.00 C ATOM 444 C ALA A 31 8.695 -9.147 0.798 1.00 0.00 C ATOM 445 O ALA A 31 7.939 -9.485 -0.094 1.00 0.00 O ATOM 446 CB ALA A 31 10.523 -7.456 1.011 1.00 0.00 C ATOM 0 H ALA A 31 10.774 -8.088 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 31 10.787 -9.595 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.338 -7.392 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.575 -7.253 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.907 -6.721 0.492 1.00 0.00 H new ATOM 452 N ASP A 32 8.282 -9.016 2.034 1.00 0.00 N ATOM 453 CA ASP A 32 6.855 -9.283 2.381 1.00 0.00 C ATOM 454 C ASP A 32 6.144 -7.964 2.684 1.00 0.00 C ATOM 455 O ASP A 32 6.223 -7.442 3.781 1.00 0.00 O ATOM 456 CB ASP A 32 6.789 -10.189 3.611 1.00 0.00 C ATOM 457 CG ASP A 32 7.155 -11.620 3.211 1.00 0.00 C ATOM 458 OD1 ASP A 32 8.029 -11.775 2.374 1.00 0.00 O ATOM 459 OD2 ASP A 32 6.555 -12.536 3.748 1.00 0.00 O ATOM 0 H ASP A 32 8.873 -8.736 2.817 1.00 0.00 H new ATOM 0 HA ASP A 32 6.366 -9.774 1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.474 -9.828 4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.787 -10.165 4.040 1.00 0.00 H new ATOM 464 N VAL A 33 5.444 -7.427 1.718 1.00 0.00 N ATOM 465 CA VAL A 33 4.715 -6.142 1.937 1.00 0.00 C ATOM 466 C VAL A 33 3.275 -6.440 2.365 1.00 0.00 C ATOM 467 O VAL A 33 2.592 -7.241 1.756 1.00 0.00 O ATOM 468 CB VAL A 33 4.711 -5.320 0.642 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.129 -4.824 0.351 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.217 -6.184 -0.528 1.00 0.00 C ATOM 0 H VAL A 33 5.346 -7.825 0.784 1.00 0.00 H new ATOM 0 HA VAL A 33 5.215 -5.571 2.719 1.00 0.00 H new ATOM 0 HB VAL A 33 4.042 -4.468 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.128 -4.240 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.473 -4.201 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.797 -5.678 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.218 -5.592 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.878 -7.042 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.205 -6.532 -0.322 1.00 0.00 H new ATOM 480 N ASN A 34 2.812 -5.803 3.412 1.00 0.00 N ATOM 481 CA ASN A 34 1.418 -6.049 3.887 1.00 0.00 C ATOM 482 C ASN A 34 0.724 -4.714 4.164 1.00 0.00 C ATOM 483 O ASN A 34 1.366 -3.700 4.362 1.00 0.00 O ATOM 484 CB ASN A 34 1.451 -6.879 5.172 1.00 0.00 C ATOM 485 CG ASN A 34 2.293 -8.137 4.949 1.00 0.00 C ATOM 486 OD1 ASN A 34 2.424 -8.604 3.836 1.00 0.00 O ATOM 487 ND2 ASN A 34 2.873 -8.709 5.968 1.00 0.00 N ATOM 0 H ASN A 34 3.341 -5.123 3.958 1.00 0.00 H new ATOM 0 HA ASN A 34 0.869 -6.591 3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.869 -6.289 5.987 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.438 -7.154 5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.436 -9.548 5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.763 -8.317 6.903 1.00 0.00 H new ATOM 494 N LEU A 35 -0.585 -4.714 4.182 1.00 0.00 N ATOM 495 CA LEU A 35 -1.338 -3.453 4.448 1.00 0.00 C ATOM 496 C LEU A 35 -2.271 -3.662 5.643 1.00 0.00 C ATOM 497 O LEU A 35 -3.040 -4.604 5.682 1.00 0.00 O ATOM 498 CB LEU A 35 -2.164 -3.080 3.216 1.00 0.00 C ATOM 499 CG LEU A 35 -2.543 -1.600 3.283 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.485 -0.767 2.559 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.903 -1.392 2.611 1.00 0.00 C ATOM 0 H LEU A 35 -1.166 -5.537 4.023 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.635 -2.650 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.593 -3.279 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.063 -3.694 3.168 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.599 -1.287 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.756 0.288 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.516 -0.915 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.427 -1.079 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.175 -0.337 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.846 -1.706 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.658 -1.984 3.127 1.00 0.00 H new ATOM 513 N GLU A 36 -2.208 -2.788 6.615 1.00 0.00 N ATOM 514 CA GLU A 36 -3.087 -2.926 7.811 1.00 0.00 C ATOM 515 C GLU A 36 -4.200 -1.878 7.752 1.00 0.00 C ATOM 516 O GLU A 36 -3.943 -0.688 7.732 1.00 0.00 O ATOM 517 CB GLU A 36 -2.259 -2.717 9.081 1.00 0.00 C ATOM 518 CG GLU A 36 -3.061 -3.189 10.295 1.00 0.00 C ATOM 519 CD GLU A 36 -3.990 -2.067 10.762 1.00 0.00 C ATOM 520 OE1 GLU A 36 -3.482 -1.033 11.166 1.00 0.00 O ATOM 521 OE2 GLU A 36 -5.193 -2.259 10.705 1.00 0.00 O ATOM 0 H GLU A 36 -1.583 -1.982 6.630 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.527 -3.923 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.322 -3.270 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.000 -1.664 9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.643 -4.074 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.386 -3.475 11.101 1.00 0.00 H new ATOM 528 N TYR A 37 -5.433 -2.313 7.721 1.00 0.00 N ATOM 529 CA TYR A 37 -6.572 -1.352 7.662 1.00 0.00 C ATOM 530 C TYR A 37 -7.825 -2.003 8.251 1.00 0.00 C ATOM 531 O TYR A 37 -8.043 -3.191 8.109 1.00 0.00 O ATOM 532 CB TYR A 37 -6.839 -0.966 6.207 1.00 0.00 C ATOM 533 CG TYR A 37 -7.841 0.160 6.168 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.463 1.441 6.586 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.145 -0.074 5.722 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.390 2.488 6.556 1.00 0.00 C ATOM 537 CE2 TYR A 37 -10.074 0.973 5.690 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.696 2.254 6.107 1.00 0.00 C ATOM 539 OH TYR A 37 -10.610 3.288 6.078 1.00 0.00 O ATOM 0 H TYR A 37 -5.700 -3.297 7.734 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.321 -0.461 8.237 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.911 -0.660 5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.218 -1.825 5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.456 1.621 6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.436 -1.063 5.402 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.099 3.477 6.879 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.081 0.792 5.344 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.468 2.957 5.740 1.00 0.00 H new ATOM 549 N ASN A 38 -8.652 -1.229 8.910 1.00 0.00 N ATOM 550 CA ASN A 38 -9.902 -1.787 9.513 1.00 0.00 C ATOM 551 C ASN A 38 -9.545 -2.861 10.543 1.00 0.00 C ATOM 552 O ASN A 38 -10.296 -3.792 10.765 1.00 0.00 O ATOM 553 CB ASN A 38 -10.776 -2.400 8.415 1.00 0.00 C ATOM 554 CG ASN A 38 -12.251 -2.177 8.750 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.891 -3.031 9.331 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.822 -1.054 8.407 1.00 0.00 N ATOM 0 H ASN A 38 -8.514 -0.229 9.057 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.451 -0.984 10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.539 -1.947 7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.570 -3.467 8.325 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.805 -0.894 8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.285 -0.337 7.919 1.00 0.00 H new ATOM 563 N GLY A 39 -8.403 -2.737 11.172 1.00 0.00 N ATOM 564 CA GLY A 39 -7.988 -3.745 12.191 1.00 0.00 C ATOM 565 C GLY A 39 -7.836 -5.113 11.532 1.00 0.00 C ATOM 566 O GLY A 39 -8.111 -6.135 12.135 1.00 0.00 O ATOM 0 H GLY A 39 -7.739 -1.978 11.022 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.046 -3.445 12.650 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.729 -3.796 12.989 1.00 0.00 H new ATOM 570 N LYS A 40 -7.387 -5.139 10.306 1.00 0.00 N ATOM 571 CA LYS A 40 -7.199 -6.437 9.602 1.00 0.00 C ATOM 572 C LYS A 40 -5.860 -6.425 8.873 1.00 0.00 C ATOM 573 O LYS A 40 -5.445 -5.418 8.332 1.00 0.00 O ATOM 574 CB LYS A 40 -8.323 -6.654 8.590 1.00 0.00 C ATOM 575 CG LYS A 40 -9.656 -6.802 9.327 1.00 0.00 C ATOM 576 CD LYS A 40 -10.609 -7.662 8.494 1.00 0.00 C ATOM 577 CE LYS A 40 -11.510 -8.474 9.425 1.00 0.00 C ATOM 578 NZ LYS A 40 -10.872 -9.789 9.714 1.00 0.00 N ATOM 0 H LYS A 40 -7.142 -4.313 9.761 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.217 -7.245 10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.370 -5.813 7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.124 -7.546 7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.495 -7.260 10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.096 -5.821 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.215 -7.029 7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.041 -8.330 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.678 -7.928 10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.486 -8.625 8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.485 -10.341 10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.734 -10.311 8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.951 -9.635 10.172 1.00 0.00 H new ATOM 592 N THR A 41 -5.184 -7.539 8.857 1.00 0.00 N ATOM 593 CA THR A 41 -3.864 -7.612 8.167 1.00 0.00 C ATOM 594 C THR A 41 -3.989 -8.477 6.911 1.00 0.00 C ATOM 595 O THR A 41 -4.079 -9.688 6.988 1.00 0.00 O ATOM 596 CB THR A 41 -2.828 -8.228 9.109 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.853 -7.540 10.352 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.436 -8.112 8.487 1.00 0.00 C ATOM 0 H THR A 41 -5.490 -8.408 9.295 1.00 0.00 H new ATOM 0 HA THR A 41 -3.548 -6.608 7.885 1.00 0.00 H new ATOM 0 HB THR A 41 -3.064 -9.280 9.270 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.191 -7.934 10.958 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.699 -8.551 9.159 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.418 -8.641 7.534 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.197 -7.061 8.324 1.00 0.00 H new ATOM 606 N VAL A 42 -3.990 -7.862 5.756 1.00 0.00 N ATOM 607 CA VAL A 42 -4.106 -8.641 4.483 1.00 0.00 C ATOM 608 C VAL A 42 -2.778 -8.540 3.727 1.00 0.00 C ATOM 609 O VAL A 42 -1.864 -7.863 4.159 1.00 0.00 O ATOM 610 CB VAL A 42 -5.240 -8.079 3.598 1.00 0.00 C ATOM 611 CG1 VAL A 42 -5.774 -9.188 2.687 1.00 0.00 C ATOM 612 CG2 VAL A 42 -6.394 -7.553 4.464 1.00 0.00 C ATOM 0 H VAL A 42 -3.915 -6.852 5.638 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.336 -9.680 4.719 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.838 -7.260 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.574 -8.792 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.968 -9.558 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.160 -10.005 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.182 -7.162 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.792 -8.365 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.028 -6.758 5.114 1.00 0.00 H new ATOM 622 N ASN A 43 -2.665 -9.205 2.606 1.00 0.00 N ATOM 623 CA ASN A 43 -1.397 -9.150 1.822 1.00 0.00 C ATOM 624 C ASN A 43 -1.452 -7.977 0.842 1.00 0.00 C ATOM 625 O ASN A 43 -2.430 -7.782 0.147 1.00 0.00 O ATOM 626 CB ASN A 43 -1.221 -10.455 1.044 1.00 0.00 C ATOM 627 CG ASN A 43 0.254 -10.637 0.683 1.00 0.00 C ATOM 628 OD1 ASN A 43 1.127 -10.218 1.417 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.572 -11.247 -0.426 1.00 0.00 N ATOM 0 H ASN A 43 -3.399 -9.785 2.200 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.556 -9.016 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.567 -11.298 1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.829 -10.436 0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.553 -11.372 -0.676 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.160 -11.599 -1.043 1.00 0.00 H new ATOM 636 N LEU A 44 -0.402 -7.198 0.784 1.00 0.00 N ATOM 637 CA LEU A 44 -0.374 -6.034 -0.148 1.00 0.00 C ATOM 638 C LEU A 44 -0.254 -6.524 -1.599 1.00 0.00 C ATOM 639 O LEU A 44 -0.479 -5.771 -2.528 1.00 0.00 O ATOM 640 CB LEU A 44 0.824 -5.142 0.195 1.00 0.00 C ATOM 641 CG LEU A 44 0.812 -3.881 -0.679 1.00 0.00 C ATOM 642 CD1 LEU A 44 -0.473 -3.075 -0.427 1.00 0.00 C ATOM 643 CD2 LEU A 44 2.033 -3.021 -0.338 1.00 0.00 C ATOM 0 H LEU A 44 0.441 -7.320 1.346 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.298 -5.466 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.790 -4.864 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.752 -5.692 0.040 1.00 0.00 H new ATOM 0 HG LEU A 44 0.846 -4.171 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.471 -2.182 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.341 -3.688 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.519 -2.783 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.030 -2.123 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.996 -2.737 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.943 -3.590 -0.529 1.00 0.00 H new ATOM 655 N LYS A 45 0.097 -7.775 -1.804 1.00 0.00 N ATOM 656 CA LYS A 45 0.228 -8.297 -3.197 1.00 0.00 C ATOM 657 C LYS A 45 -1.078 -8.972 -3.633 1.00 0.00 C ATOM 658 O LYS A 45 -1.080 -9.834 -4.491 1.00 0.00 O ATOM 659 CB LYS A 45 1.370 -9.316 -3.251 1.00 0.00 C ATOM 660 CG LYS A 45 2.710 -8.579 -3.299 1.00 0.00 C ATOM 661 CD LYS A 45 3.772 -9.397 -2.562 1.00 0.00 C ATOM 662 CE LYS A 45 5.153 -9.082 -3.140 1.00 0.00 C ATOM 663 NZ LYS A 45 6.170 -9.132 -2.051 1.00 0.00 N ATOM 0 H LYS A 45 0.297 -8.451 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 45 0.441 -7.467 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.332 -9.967 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.262 -9.953 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.012 -8.420 -4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.612 -7.595 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.750 -9.165 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.559 -10.461 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.405 -9.800 -3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.149 -8.095 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.375 -8.167 -1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.802 -9.696 -1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.043 -9.568 -2.411 1.00 0.00 H new ATOM 677 N SER A 46 -2.190 -8.584 -3.053 1.00 0.00 N ATOM 678 CA SER A 46 -3.494 -9.196 -3.437 1.00 0.00 C ATOM 679 C SER A 46 -4.458 -8.095 -3.878 1.00 0.00 C ATOM 680 O SER A 46 -4.691 -7.142 -3.160 1.00 0.00 O ATOM 681 CB SER A 46 -4.085 -9.930 -2.237 1.00 0.00 C ATOM 682 OG SER A 46 -4.889 -11.010 -2.692 1.00 0.00 O ATOM 0 H SER A 46 -2.246 -7.868 -2.329 1.00 0.00 H new ATOM 0 HA SER A 46 -3.339 -9.900 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.286 -10.302 -1.595 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.683 -9.245 -1.636 1.00 0.00 H new ATOM 0 HG SER A 46 -5.268 -11.483 -1.922 1.00 0.00 H new ATOM 688 N ILE A 47 -5.023 -8.224 -5.051 1.00 0.00 N ATOM 689 CA ILE A 47 -5.980 -7.190 -5.543 1.00 0.00 C ATOM 690 C ILE A 47 -7.343 -7.425 -4.893 1.00 0.00 C ATOM 691 O ILE A 47 -8.035 -6.494 -4.525 1.00 0.00 O ATOM 692 CB ILE A 47 -6.111 -7.289 -7.066 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.725 -7.158 -7.707 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.013 -6.162 -7.577 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.151 -8.551 -7.977 1.00 0.00 C ATOM 0 H ILE A 47 -4.862 -9.003 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.614 -6.197 -5.282 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.547 -8.253 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.795 -6.596 -8.638 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.059 -6.601 -7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.106 -6.233 -8.661 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.999 -6.251 -7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.577 -5.199 -7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.165 -8.456 -8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.065 -9.098 -7.038 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.813 -9.092 -8.653 1.00 0.00 H new ATOM 707 N MET A 48 -7.729 -8.666 -4.743 1.00 0.00 N ATOM 708 CA MET A 48 -9.043 -8.977 -4.111 1.00 0.00 C ATOM 709 C MET A 48 -8.924 -8.828 -2.591 1.00 0.00 C ATOM 710 O MET A 48 -9.890 -8.533 -1.913 1.00 0.00 O ATOM 711 CB MET A 48 -9.449 -10.413 -4.452 1.00 0.00 C ATOM 712 CG MET A 48 -10.880 -10.667 -3.975 1.00 0.00 C ATOM 713 SD MET A 48 -12.042 -10.237 -5.295 1.00 0.00 S ATOM 714 CE MET A 48 -13.357 -11.386 -4.822 1.00 0.00 C ATOM 0 H MET A 48 -7.187 -9.480 -5.033 1.00 0.00 H new ATOM 0 HA MET A 48 -9.799 -8.288 -4.488 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.379 -10.576 -5.527 1.00 0.00 H new ATOM 0 HB3 MET A 48 -8.766 -11.118 -3.977 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.001 -11.714 -3.696 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.089 -10.074 -3.085 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.192 -11.289 -5.516 1.00 0.00 H new ATOM 0 HE2 MET A 48 -12.977 -12.407 -4.853 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.696 -11.155 -3.812 1.00 0.00 H new ATOM 724 N GLY A 49 -7.746 -9.032 -2.055 1.00 0.00 N ATOM 725 CA GLY A 49 -7.554 -8.905 -0.581 1.00 0.00 C ATOM 726 C GLY A 49 -7.866 -7.473 -0.140 1.00 0.00 C ATOM 727 O GLY A 49 -8.296 -7.240 0.974 1.00 0.00 O ATOM 0 H GLY A 49 -6.907 -9.282 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.204 -9.606 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.529 -9.162 -0.315 1.00 0.00 H new ATOM 731 N VAL A 50 -7.651 -6.515 -1.005 1.00 0.00 N ATOM 732 CA VAL A 50 -7.931 -5.094 -0.642 1.00 0.00 C ATOM 733 C VAL A 50 -9.409 -4.780 -0.892 1.00 0.00 C ATOM 734 O VAL A 50 -9.991 -3.939 -0.234 1.00 0.00 O ATOM 735 CB VAL A 50 -7.061 -4.166 -1.494 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.238 -2.721 -1.021 1.00 0.00 C ATOM 737 CG2 VAL A 50 -5.593 -4.571 -1.350 1.00 0.00 C ATOM 0 H VAL A 50 -7.293 -6.657 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.702 -4.940 0.412 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.361 -4.246 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.618 -2.061 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.284 -2.431 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.938 -2.641 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.972 -3.911 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.294 -4.491 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.465 -5.600 -1.686 1.00 0.00 H new ATOM 747 N VAL A 51 -10.017 -5.448 -1.842 1.00 0.00 N ATOM 748 CA VAL A 51 -11.458 -5.190 -2.143 1.00 0.00 C ATOM 749 C VAL A 51 -12.306 -5.531 -0.913 1.00 0.00 C ATOM 750 O VAL A 51 -13.309 -4.897 -0.648 1.00 0.00 O ATOM 751 CB VAL A 51 -11.898 -6.056 -3.328 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.340 -5.711 -3.713 1.00 0.00 C ATOM 753 CG2 VAL A 51 -10.980 -5.790 -4.525 1.00 0.00 C ATOM 0 H VAL A 51 -9.576 -6.162 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.593 -4.138 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.838 -7.107 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.649 -6.329 -4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.998 -5.899 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.400 -4.659 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.293 -6.406 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.040 -4.738 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.953 -6.037 -4.257 1.00 0.00 H new ATOM 763 N SER A 52 -11.907 -6.528 -0.165 1.00 0.00 N ATOM 764 CA SER A 52 -12.683 -6.917 1.049 1.00 0.00 C ATOM 765 C SER A 52 -12.633 -5.784 2.078 1.00 0.00 C ATOM 766 O SER A 52 -13.546 -5.609 2.863 1.00 0.00 O ATOM 767 CB SER A 52 -12.080 -8.183 1.657 1.00 0.00 C ATOM 768 OG SER A 52 -10.838 -7.863 2.271 1.00 0.00 O ATOM 0 H SER A 52 -11.075 -7.090 -0.344 1.00 0.00 H new ATOM 0 HA SER A 52 -13.719 -7.105 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.763 -8.609 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.933 -8.937 0.884 1.00 0.00 H new ATOM 0 HG SER A 52 -10.159 -7.719 1.579 1.00 0.00 H new ATOM 774 N LEU A 53 -11.572 -5.017 2.078 1.00 0.00 N ATOM 775 CA LEU A 53 -11.453 -3.894 3.055 1.00 0.00 C ATOM 776 C LEU A 53 -12.346 -2.733 2.612 1.00 0.00 C ATOM 777 O LEU A 53 -13.063 -2.154 3.406 1.00 0.00 O ATOM 778 CB LEU A 53 -9.999 -3.422 3.114 1.00 0.00 C ATOM 779 CG LEU A 53 -9.170 -4.423 3.920 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.691 -4.044 3.837 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.621 -4.394 5.383 1.00 0.00 C ATOM 0 H LEU A 53 -10.782 -5.121 1.442 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.766 -4.237 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.595 -3.327 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.944 -2.435 3.573 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.312 -5.424 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.100 -4.757 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.369 -4.061 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.548 -3.043 4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.032 -5.107 5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.477 -3.392 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.676 -4.662 5.444 1.00 0.00 H new ATOM 793 N GLY A 54 -12.304 -2.389 1.349 1.00 0.00 N ATOM 794 CA GLY A 54 -13.145 -1.263 0.846 1.00 0.00 C ATOM 795 C GLY A 54 -12.629 0.055 1.426 1.00 0.00 C ATOM 796 O GLY A 54 -13.364 0.799 2.048 1.00 0.00 O ATOM 0 H GLY A 54 -11.722 -2.841 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.115 -1.230 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.186 -1.416 1.132 1.00 0.00 H new ATOM 800 N ILE A 55 -11.369 0.348 1.225 1.00 0.00 N ATOM 801 CA ILE A 55 -10.793 1.612 1.757 1.00 0.00 C ATOM 802 C ILE A 55 -11.384 2.794 0.994 1.00 0.00 C ATOM 803 O ILE A 55 -11.616 2.727 -0.198 1.00 0.00 O ATOM 804 CB ILE A 55 -9.272 1.602 1.579 1.00 0.00 C ATOM 805 CG1 ILE A 55 -8.688 0.343 2.225 1.00 0.00 C ATOM 806 CG2 ILE A 55 -8.669 2.840 2.247 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.195 0.250 1.904 1.00 0.00 C ATOM 0 H ILE A 55 -10.713 -0.241 0.711 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.031 1.701 2.817 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.034 1.610 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.838 0.372 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.206 -0.542 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.587 2.831 2.119 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.081 3.738 1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.909 2.833 3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.779 -0.646 2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.057 0.201 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.683 1.129 2.295 1.00 0.00 H new ATOM 819 N ALA A 56 -11.625 3.874 1.680 1.00 0.00 N ATOM 820 CA ALA A 56 -12.201 5.080 1.018 1.00 0.00 C ATOM 821 C ALA A 56 -11.321 6.295 1.317 1.00 0.00 C ATOM 822 O ALA A 56 -10.378 6.218 2.082 1.00 0.00 O ATOM 823 CB ALA A 56 -13.613 5.331 1.550 1.00 0.00 C ATOM 0 H ALA A 56 -11.447 3.976 2.679 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.243 4.917 -0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.033 6.213 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.241 4.466 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.572 5.494 2.627 1.00 0.00 H new ATOM 829 N LYS A 57 -11.625 7.417 0.715 1.00 0.00 N ATOM 830 CA LYS A 57 -10.816 8.650 0.952 1.00 0.00 C ATOM 831 C LYS A 57 -10.862 9.027 2.436 1.00 0.00 C ATOM 832 O LYS A 57 -11.780 8.667 3.148 1.00 0.00 O ATOM 833 CB LYS A 57 -11.392 9.797 0.117 1.00 0.00 C ATOM 834 CG LYS A 57 -12.889 9.968 0.430 1.00 0.00 C ATOM 835 CD LYS A 57 -13.143 11.358 1.023 1.00 0.00 C ATOM 836 CE LYS A 57 -13.639 12.302 -0.074 1.00 0.00 C ATOM 837 NZ LYS A 57 -13.238 13.700 0.256 1.00 0.00 N ATOM 0 H LYS A 57 -12.403 7.532 0.066 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.781 8.465 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.858 10.722 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.254 9.591 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.477 9.838 -0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.213 9.199 1.132 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.881 11.294 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.227 11.748 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.220 12.010 -1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.723 12.235 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.575 14.343 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.658 13.976 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.202 13.758 0.321 1.00 0.00 H new ATOM 851 N GLY A 58 -9.876 9.752 2.901 1.00 0.00 N ATOM 852 CA GLY A 58 -9.849 10.161 4.337 1.00 0.00 C ATOM 853 C GLY A 58 -9.707 8.921 5.221 1.00 0.00 C ATOM 854 O GLY A 58 -10.469 8.721 6.149 1.00 0.00 O ATOM 0 H GLY A 58 -9.086 10.079 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.019 10.844 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.763 10.698 4.590 1.00 0.00 H new ATOM 858 N ALA A 59 -8.737 8.088 4.939 1.00 0.00 N ATOM 859 CA ALA A 59 -8.539 6.858 5.760 1.00 0.00 C ATOM 860 C ALA A 59 -7.090 6.796 6.249 1.00 0.00 C ATOM 861 O ALA A 59 -6.248 7.562 5.821 1.00 0.00 O ATOM 862 CB ALA A 59 -8.841 5.622 4.908 1.00 0.00 C ATOM 0 H ALA A 59 -8.073 8.208 4.174 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.211 6.883 6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.697 4.723 5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.873 5.664 4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.169 5.598 4.050 1.00 0.00 H new ATOM 868 N GLU A 60 -6.799 5.887 7.146 1.00 0.00 N ATOM 869 CA GLU A 60 -5.408 5.762 7.672 1.00 0.00 C ATOM 870 C GLU A 60 -4.925 4.322 7.489 1.00 0.00 C ATOM 871 O GLU A 60 -5.545 3.388 7.962 1.00 0.00 O ATOM 872 CB GLU A 60 -5.390 6.124 9.158 1.00 0.00 C ATOM 873 CG GLU A 60 -5.879 7.561 9.339 1.00 0.00 C ATOM 874 CD GLU A 60 -5.254 8.158 10.602 1.00 0.00 C ATOM 875 OE1 GLU A 60 -5.116 7.430 11.571 1.00 0.00 O ATOM 876 OE2 GLU A 60 -4.926 9.333 10.578 1.00 0.00 O ATOM 0 H GLU A 60 -7.469 5.224 7.537 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.749 6.439 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.027 5.439 9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.381 6.019 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.610 8.160 8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.966 7.580 9.415 1.00 0.00 H new ATOM 883 N ILE A 61 -3.824 4.137 6.805 1.00 0.00 N ATOM 884 CA ILE A 61 -3.295 2.758 6.583 1.00 0.00 C ATOM 885 C ILE A 61 -1.823 2.699 6.999 1.00 0.00 C ATOM 886 O ILE A 61 -1.133 3.701 7.009 1.00 0.00 O ATOM 887 CB ILE A 61 -3.418 2.397 5.100 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.756 3.489 4.254 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.896 2.287 4.722 1.00 0.00 C ATOM 890 CD1 ILE A 61 -2.733 3.062 2.783 1.00 0.00 C ATOM 0 H ILE A 61 -3.268 4.884 6.390 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.870 2.050 7.181 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.924 1.443 4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.302 4.426 4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.740 3.669 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.983 2.030 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.369 1.512 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.390 3.241 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.261 3.842 2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.168 2.135 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.753 2.905 2.434 1.00 0.00 H new ATOM 902 N THR A 62 -1.341 1.530 7.339 1.00 0.00 N ATOM 903 CA THR A 62 0.086 1.393 7.755 1.00 0.00 C ATOM 904 C THR A 62 0.722 0.218 7.009 1.00 0.00 C ATOM 905 O THR A 62 0.263 -0.904 7.098 1.00 0.00 O ATOM 906 CB THR A 62 0.155 1.139 9.262 1.00 0.00 C ATOM 907 OG1 THR A 62 -0.773 1.986 9.926 1.00 0.00 O ATOM 908 CG2 THR A 62 1.569 1.432 9.766 1.00 0.00 C ATOM 0 H THR A 62 -1.877 0.662 7.346 1.00 0.00 H new ATOM 0 HA THR A 62 0.625 2.310 7.517 1.00 0.00 H new ATOM 0 HB THR A 62 -0.092 0.098 9.468 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.731 1.823 10.892 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.617 1.251 10.840 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.279 0.781 9.256 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.820 2.473 9.562 1.00 0.00 H new ATOM 916 N ILE A 63 1.774 0.471 6.274 1.00 0.00 N ATOM 917 CA ILE A 63 2.446 -0.625 5.516 1.00 0.00 C ATOM 918 C ILE A 63 3.572 -1.222 6.370 1.00 0.00 C ATOM 919 O ILE A 63 4.068 -0.596 7.286 1.00 0.00 O ATOM 920 CB ILE A 63 3.017 -0.053 4.204 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.860 0.419 3.313 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.823 -1.125 3.458 1.00 0.00 C ATOM 923 CD1 ILE A 63 1.666 1.928 3.476 1.00 0.00 C ATOM 0 H ILE A 63 2.197 1.393 6.166 1.00 0.00 H new ATOM 0 HA ILE A 63 1.728 -1.411 5.282 1.00 0.00 H new ATOM 0 HB ILE A 63 3.675 0.783 4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.070 0.180 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.944 -0.106 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.219 -0.705 2.534 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.648 -1.463 4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.175 -1.970 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.844 2.260 2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.436 2.155 4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.580 2.446 3.185 1.00 0.00 H new ATOM 935 N SER A 64 3.974 -2.430 6.066 1.00 0.00 N ATOM 936 CA SER A 64 5.067 -3.084 6.841 1.00 0.00 C ATOM 937 C SER A 64 5.830 -4.043 5.923 1.00 0.00 C ATOM 938 O SER A 64 5.263 -4.968 5.373 1.00 0.00 O ATOM 939 CB SER A 64 4.467 -3.863 8.012 1.00 0.00 C ATOM 940 OG SER A 64 3.189 -4.362 7.638 1.00 0.00 O ATOM 0 H SER A 64 3.588 -2.994 5.309 1.00 0.00 H new ATOM 0 HA SER A 64 5.749 -2.326 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.124 -4.686 8.291 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.377 -3.217 8.885 1.00 0.00 H new ATOM 0 HG SER A 64 2.802 -4.863 8.386 1.00 0.00 H new ATOM 946 N ALA A 65 7.109 -3.823 5.751 1.00 0.00 N ATOM 947 CA ALA A 65 7.915 -4.711 4.865 1.00 0.00 C ATOM 948 C ALA A 65 8.816 -5.607 5.717 1.00 0.00 C ATOM 949 O ALA A 65 9.397 -5.170 6.692 1.00 0.00 O ATOM 950 CB ALA A 65 8.779 -3.855 3.937 1.00 0.00 C ATOM 0 H ALA A 65 7.630 -3.063 6.189 1.00 0.00 H new ATOM 0 HA ALA A 65 7.246 -5.333 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.369 -4.503 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.138 -3.218 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.447 -3.233 4.533 1.00 0.00 H new ATOM 956 N SER A 66 8.935 -6.857 5.350 1.00 0.00 N ATOM 957 CA SER A 66 9.797 -7.795 6.127 1.00 0.00 C ATOM 958 C SER A 66 10.364 -8.861 5.187 1.00 0.00 C ATOM 959 O SER A 66 9.698 -9.822 4.853 1.00 0.00 O ATOM 960 CB SER A 66 8.963 -8.467 7.217 1.00 0.00 C ATOM 961 OG SER A 66 8.598 -7.499 8.194 1.00 0.00 O ATOM 0 H SER A 66 8.470 -7.269 4.542 1.00 0.00 H new ATOM 0 HA SER A 66 10.617 -7.242 6.586 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.070 -8.917 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.532 -9.273 7.681 1.00 0.00 H new ATOM 0 HG SER A 66 8.931 -6.618 7.922 1.00 0.00 H new ATOM 967 N GLY A 67 11.590 -8.695 4.760 1.00 0.00 N ATOM 968 CA GLY A 67 12.211 -9.694 3.840 1.00 0.00 C ATOM 969 C GLY A 67 13.675 -9.326 3.594 1.00 0.00 C ATOM 970 O GLY A 67 14.373 -8.894 4.492 1.00 0.00 O ATOM 0 H GLY A 67 12.189 -7.908 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.144 -10.692 4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.668 -9.719 2.895 1.00 0.00 H new ATOM 974 N ALA A 68 14.143 -9.493 2.382 1.00 0.00 N ATOM 975 CA ALA A 68 15.562 -9.154 2.069 1.00 0.00 C ATOM 976 C ALA A 68 15.655 -7.688 1.644 1.00 0.00 C ATOM 977 O ALA A 68 16.376 -6.906 2.236 1.00 0.00 O ATOM 978 CB ALA A 68 16.060 -10.047 0.930 1.00 0.00 C ATOM 0 H ALA A 68 13.601 -9.850 1.595 1.00 0.00 H new ATOM 0 HA ALA A 68 16.177 -9.315 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.097 -9.800 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.994 -11.092 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.444 -9.885 0.045 1.00 0.00 H new ATOM 984 N ASP A 69 14.928 -7.311 0.624 1.00 0.00 N ATOM 985 CA ASP A 69 14.964 -5.894 0.154 1.00 0.00 C ATOM 986 C ASP A 69 13.750 -5.143 0.704 1.00 0.00 C ATOM 987 O ASP A 69 13.192 -4.282 0.051 1.00 0.00 O ATOM 988 CB ASP A 69 14.942 -5.854 -1.379 1.00 0.00 C ATOM 989 CG ASP A 69 13.794 -6.718 -1.911 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.785 -6.817 -1.232 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.944 -7.265 -2.991 1.00 0.00 O ATOM 0 H ASP A 69 14.309 -7.925 0.095 1.00 0.00 H new ATOM 0 HA ASP A 69 15.878 -5.420 0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.823 -4.826 -1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.892 -6.214 -1.774 1.00 0.00 H new ATOM 996 N GLU A 70 13.340 -5.468 1.904 1.00 0.00 N ATOM 997 CA GLU A 70 12.162 -4.783 2.513 1.00 0.00 C ATOM 998 C GLU A 70 12.458 -3.290 2.671 1.00 0.00 C ATOM 999 O GLU A 70 11.564 -2.466 2.635 1.00 0.00 O ATOM 1000 CB GLU A 70 11.872 -5.394 3.887 1.00 0.00 C ATOM 1001 CG GLU A 70 13.133 -5.336 4.759 1.00 0.00 C ATOM 1002 CD GLU A 70 13.011 -4.194 5.771 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.456 -3.169 5.413 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.476 -4.365 6.886 1.00 0.00 O ATOM 0 H GLU A 70 13.773 -6.182 2.490 1.00 0.00 H new ATOM 0 HA GLU A 70 11.295 -4.912 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.059 -4.853 4.371 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.544 -6.427 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.270 -6.283 5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.013 -5.187 4.133 1.00 0.00 H new ATOM 1011 N ASN A 71 13.707 -2.939 2.847 1.00 0.00 N ATOM 1012 CA ASN A 71 14.071 -1.500 3.008 1.00 0.00 C ATOM 1013 C ASN A 71 13.811 -0.751 1.699 1.00 0.00 C ATOM 1014 O ASN A 71 13.340 0.370 1.701 1.00 0.00 O ATOM 1015 CB ASN A 71 15.552 -1.388 3.372 1.00 0.00 C ATOM 1016 CG ASN A 71 15.705 -1.404 4.893 1.00 0.00 C ATOM 1017 OD1 ASN A 71 15.934 -2.442 5.481 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.588 -0.288 5.558 1.00 0.00 N ATOM 0 H ASN A 71 14.492 -3.590 2.886 1.00 0.00 H new ATOM 0 HA ASN A 71 13.465 -1.062 3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.109 -2.214 2.931 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.969 -0.468 2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.689 -0.286 6.573 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.396 0.583 5.063 1.00 0.00 H new ATOM 1025 N ASP A 72 14.118 -1.360 0.584 1.00 0.00 N ATOM 1026 CA ASP A 72 13.897 -0.687 -0.729 1.00 0.00 C ATOM 1027 C ASP A 72 12.406 -0.699 -1.090 1.00 0.00 C ATOM 1028 O ASP A 72 11.963 0.069 -1.923 1.00 0.00 O ATOM 1029 CB ASP A 72 14.690 -1.422 -1.813 1.00 0.00 C ATOM 1030 CG ASP A 72 16.163 -1.499 -1.404 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.462 -2.235 -0.478 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.965 -0.821 -2.025 1.00 0.00 O ATOM 0 H ASP A 72 14.514 -2.298 0.526 1.00 0.00 H new ATOM 0 HA ASP A 72 14.234 0.347 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.288 -2.425 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.593 -0.901 -2.766 1.00 0.00 H new ATOM 1037 N ALA A 73 11.631 -1.565 -0.482 1.00 0.00 N ATOM 1038 CA ALA A 73 10.174 -1.628 -0.803 1.00 0.00 C ATOM 1039 C ALA A 73 9.410 -0.530 -0.053 1.00 0.00 C ATOM 1040 O ALA A 73 8.514 0.088 -0.598 1.00 0.00 O ATOM 1041 CB ALA A 73 9.626 -2.996 -0.393 1.00 0.00 C ATOM 0 H ALA A 73 11.947 -2.231 0.223 1.00 0.00 H new ATOM 0 HA ALA A 73 10.043 -1.478 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.562 -3.046 -0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.154 -3.778 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.770 -3.140 0.678 1.00 0.00 H new ATOM 1047 N LEU A 74 9.740 -0.293 1.193 1.00 0.00 N ATOM 1048 CA LEU A 74 9.012 0.752 1.977 1.00 0.00 C ATOM 1049 C LEU A 74 9.357 2.154 1.459 1.00 0.00 C ATOM 1050 O LEU A 74 8.499 3.016 1.391 1.00 0.00 O ATOM 1051 CB LEU A 74 9.374 0.642 3.464 1.00 0.00 C ATOM 1052 CG LEU A 74 10.886 0.792 3.653 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.224 2.246 4.012 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.352 -0.137 4.780 1.00 0.00 C ATOM 0 H LEU A 74 10.481 -0.777 1.700 1.00 0.00 H new ATOM 0 HA LEU A 74 7.941 0.590 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.851 1.412 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.045 -0.321 3.856 1.00 0.00 H new ATOM 0 HG LEU A 74 11.394 0.526 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.301 2.347 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.894 2.905 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.717 2.520 4.937 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.428 -0.032 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.841 0.129 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.118 -1.170 4.520 1.00 0.00 H new ATOM 1066 N ASN A 75 10.594 2.397 1.093 1.00 0.00 N ATOM 1067 CA ASN A 75 10.963 3.756 0.581 1.00 0.00 C ATOM 1068 C ASN A 75 10.554 3.883 -0.888 1.00 0.00 C ATOM 1069 O ASN A 75 10.282 4.968 -1.370 1.00 0.00 O ATOM 1070 CB ASN A 75 12.472 4.002 0.722 1.00 0.00 C ATOM 1071 CG ASN A 75 13.276 2.798 0.229 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.865 2.103 -0.676 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.423 2.528 0.794 1.00 0.00 N ATOM 0 H ASN A 75 11.357 1.721 1.126 1.00 0.00 H new ATOM 0 HA ASN A 75 10.435 4.503 1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.754 4.888 0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.715 4.202 1.766 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.974 1.732 0.474 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.767 3.114 1.555 1.00 0.00 H new ATOM 1080 N ALA A 76 10.496 2.787 -1.597 1.00 0.00 N ATOM 1081 CA ALA A 76 10.092 2.837 -3.032 1.00 0.00 C ATOM 1082 C ALA A 76 8.575 3.037 -3.128 1.00 0.00 C ATOM 1083 O ALA A 76 8.075 3.578 -4.097 1.00 0.00 O ATOM 1084 CB ALA A 76 10.473 1.523 -3.716 1.00 0.00 C ATOM 0 H ALA A 76 10.712 1.855 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 76 10.602 3.665 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.178 1.560 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.551 1.376 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.962 0.695 -3.224 1.00 0.00 H new ATOM 1090 N LEU A 77 7.844 2.610 -2.128 1.00 0.00 N ATOM 1091 CA LEU A 77 6.361 2.773 -2.150 1.00 0.00 C ATOM 1092 C LEU A 77 5.999 4.185 -1.684 1.00 0.00 C ATOM 1093 O LEU A 77 4.976 4.727 -2.056 1.00 0.00 O ATOM 1094 CB LEU A 77 5.722 1.747 -1.210 1.00 0.00 C ATOM 1095 CG LEU A 77 5.790 0.358 -1.846 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.738 -0.708 -0.750 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.603 0.171 -2.793 1.00 0.00 C ATOM 0 H LEU A 77 8.214 2.154 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 77 5.992 2.617 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.240 1.745 -0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.685 2.017 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 77 6.721 0.261 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.786 -1.698 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.583 -0.576 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.807 -0.610 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.652 -0.819 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.672 0.269 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.638 0.930 -3.575 1.00 0.00 H new ATOM 1109 N GLU A 78 6.833 4.781 -0.868 1.00 0.00 N ATOM 1110 CA GLU A 78 6.554 6.157 -0.368 1.00 0.00 C ATOM 1111 C GLU A 78 6.711 7.159 -1.521 1.00 0.00 C ATOM 1112 O GLU A 78 5.903 8.052 -1.690 1.00 0.00 O ATOM 1113 CB GLU A 78 7.552 6.483 0.752 1.00 0.00 C ATOM 1114 CG GLU A 78 7.337 7.915 1.266 1.00 0.00 C ATOM 1115 CD GLU A 78 8.469 8.817 0.768 1.00 0.00 C ATOM 1116 OE1 GLU A 78 8.838 8.688 -0.389 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.948 9.620 1.550 1.00 0.00 O ATOM 0 H GLU A 78 7.701 4.368 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 78 5.537 6.220 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.432 5.775 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.571 6.373 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.376 8.296 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.307 7.920 2.356 1.00 0.00 H new ATOM 1124 N GLU A 79 7.750 7.018 -2.305 1.00 0.00 N ATOM 1125 CA GLU A 79 7.972 7.961 -3.441 1.00 0.00 C ATOM 1126 C GLU A 79 6.950 7.693 -4.550 1.00 0.00 C ATOM 1127 O GLU A 79 6.562 8.592 -5.274 1.00 0.00 O ATOM 1128 CB GLU A 79 9.390 7.777 -3.991 1.00 0.00 C ATOM 1129 CG GLU A 79 9.603 6.318 -4.418 1.00 0.00 C ATOM 1130 CD GLU A 79 9.546 6.212 -5.944 1.00 0.00 C ATOM 1131 OE1 GLU A 79 10.028 7.121 -6.600 1.00 0.00 O ATOM 1132 OE2 GLU A 79 9.020 5.224 -6.431 1.00 0.00 O ATOM 0 H GLU A 79 8.456 6.288 -2.206 1.00 0.00 H new ATOM 0 HA GLU A 79 7.851 8.984 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.548 8.440 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.122 8.053 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.566 5.960 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.838 5.683 -3.971 1.00 0.00 H new ATOM 1139 N THR A 80 6.515 6.466 -4.691 1.00 0.00 N ATOM 1140 CA THR A 80 5.520 6.137 -5.755 1.00 0.00 C ATOM 1141 C THR A 80 4.133 6.639 -5.341 1.00 0.00 C ATOM 1142 O THR A 80 3.308 6.959 -6.176 1.00 0.00 O ATOM 1143 CB THR A 80 5.470 4.620 -5.956 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.788 4.128 -6.157 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.611 4.294 -7.179 1.00 0.00 C ATOM 0 H THR A 80 6.807 5.677 -4.114 1.00 0.00 H new ATOM 0 HA THR A 80 5.817 6.621 -6.685 1.00 0.00 H new ATOM 0 HB THR A 80 5.036 4.150 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.323 4.288 -5.352 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.576 3.214 -7.322 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.601 4.673 -7.025 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.044 4.763 -8.063 1.00 0.00 H new ATOM 1153 N MET A 81 3.873 6.706 -4.060 1.00 0.00 N ATOM 1154 CA MET A 81 2.542 7.183 -3.584 1.00 0.00 C ATOM 1155 C MET A 81 2.417 8.688 -3.830 1.00 0.00 C ATOM 1156 O MET A 81 1.408 9.164 -4.316 1.00 0.00 O ATOM 1157 CB MET A 81 2.405 6.898 -2.087 1.00 0.00 C ATOM 1158 CG MET A 81 1.751 5.530 -1.887 1.00 0.00 C ATOM 1159 SD MET A 81 0.002 5.625 -2.342 1.00 0.00 S ATOM 1160 CE MET A 81 -0.678 5.215 -0.717 1.00 0.00 C ATOM 0 H MET A 81 4.529 6.450 -3.322 1.00 0.00 H new ATOM 0 HA MET A 81 1.755 6.661 -4.128 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.385 6.918 -1.611 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.804 7.673 -1.612 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.256 4.781 -2.497 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.851 5.216 -0.848 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.767 5.216 -0.767 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.330 4.227 -0.416 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.348 5.954 0.013 1.00 0.00 H new ATOM 1170 N LYS A 82 3.436 9.437 -3.497 1.00 0.00 N ATOM 1171 CA LYS A 82 3.391 10.914 -3.704 1.00 0.00 C ATOM 1172 C LYS A 82 3.629 11.246 -5.183 1.00 0.00 C ATOM 1173 O LYS A 82 3.288 12.319 -5.644 1.00 0.00 O ATOM 1174 CB LYS A 82 4.472 11.579 -2.851 1.00 0.00 C ATOM 1175 CG LYS A 82 4.217 11.271 -1.372 1.00 0.00 C ATOM 1176 CD LYS A 82 4.988 12.264 -0.489 1.00 0.00 C ATOM 1177 CE LYS A 82 6.122 11.539 0.242 1.00 0.00 C ATOM 1178 NZ LYS A 82 6.748 12.465 1.227 1.00 0.00 N ATOM 0 H LYS A 82 4.302 9.086 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 82 2.410 11.286 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.457 11.216 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.468 12.657 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.150 11.333 -1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.529 10.252 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.394 13.069 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.313 12.723 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.735 10.656 0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.868 11.193 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.518 11.974 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.130 13.294 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.033 12.774 1.916 1.00 0.00 H new ATOM 1192 N SER A 83 4.216 10.339 -5.931 1.00 0.00 N ATOM 1193 CA SER A 83 4.480 10.606 -7.378 1.00 0.00 C ATOM 1194 C SER A 83 3.163 10.888 -8.109 1.00 0.00 C ATOM 1195 O SER A 83 3.137 11.585 -9.106 1.00 0.00 O ATOM 1196 CB SER A 83 5.157 9.385 -8.004 1.00 0.00 C ATOM 1197 OG SER A 83 4.219 8.320 -8.086 1.00 0.00 O ATOM 0 H SER A 83 4.523 9.425 -5.599 1.00 0.00 H new ATOM 0 HA SER A 83 5.131 11.476 -7.468 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.532 9.632 -8.997 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.016 9.083 -7.404 1.00 0.00 H new ATOM 0 HG SER A 83 3.781 8.202 -7.217 1.00 0.00 H new ATOM 1203 N GLU A 84 2.072 10.349 -7.623 1.00 0.00 N ATOM 1204 CA GLU A 84 0.756 10.582 -8.288 1.00 0.00 C ATOM 1205 C GLU A 84 -0.133 11.442 -7.387 1.00 0.00 C ATOM 1206 O GLU A 84 -0.979 12.178 -7.859 1.00 0.00 O ATOM 1207 CB GLU A 84 0.070 9.239 -8.548 1.00 0.00 C ATOM 1208 CG GLU A 84 0.477 8.714 -9.925 1.00 0.00 C ATOM 1209 CD GLU A 84 0.418 7.184 -9.927 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -0.490 6.647 -9.316 1.00 0.00 O ATOM 1211 OE2 GLU A 84 1.283 6.578 -10.537 1.00 0.00 O ATOM 0 H GLU A 84 2.038 9.757 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 84 0.918 11.098 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.349 8.521 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.013 9.356 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.188 9.115 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.484 9.050 -10.171 1.00 0.00 H new ATOM 1218 N GLY A 85 0.053 11.354 -6.093 1.00 0.00 N ATOM 1219 CA GLY A 85 -0.776 12.162 -5.156 1.00 0.00 C ATOM 1220 C GLY A 85 -1.895 11.293 -4.578 1.00 0.00 C ATOM 1221 O GLY A 85 -2.978 11.771 -4.296 1.00 0.00 O ATOM 0 H GLY A 85 0.747 10.754 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.155 12.555 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.201 13.020 -5.678 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.639 10.022 -4.398 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.683 9.115 -3.836 1.00 0.00 C ATOM 1227 C LEU A 86 -2.682 9.226 -2.310 1.00 0.00 C ATOM 1228 O LEU A 86 -3.721 9.212 -1.677 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.379 7.670 -4.241 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.368 7.558 -5.766 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.912 6.154 -6.171 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.778 7.810 -6.304 1.00 0.00 C ATOM 0 H LEU A 86 -0.750 9.573 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.661 9.402 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.414 7.363 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.128 6.999 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.682 8.297 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.904 6.073 -7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.908 5.972 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.598 5.415 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.772 7.731 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.463 7.070 -5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.105 8.809 -6.015 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.520 9.336 -1.718 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.435 9.449 -0.233 1.00 0.00 C ATOM 1246 C GLY A 87 -0.081 10.049 0.154 1.00 0.00 C ATOM 1247 O GLY A 87 0.733 10.360 -0.696 1.00 0.00 O ATOM 0 H GLY A 87 -0.623 9.352 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.244 10.076 0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.554 8.467 0.225 1.00 0.00 H new ATOM 1251 N GLU A 88 0.164 10.213 1.429 1.00 0.00 N ATOM 1252 CA GLU A 88 1.464 10.792 1.878 1.00 0.00 C ATOM 1253 C GLU A 88 1.760 10.341 3.310 1.00 0.00 C ATOM 1254 O GLU A 88 2.707 9.593 3.490 1.00 0.00 O ATOM 1255 CB GLU A 88 1.395 12.322 1.826 1.00 0.00 C ATOM 1256 CG GLU A 88 0.161 12.818 2.585 1.00 0.00 C ATOM 1257 CD GLU A 88 -0.166 14.247 2.149 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -0.296 14.516 0.879 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -0.306 15.128 2.974 1.00 0.00 O ATOM 1260 OXT GLU A 88 1.035 10.749 4.202 1.00 0.00 O ATOM 0 H GLU A 88 -0.483 9.970 2.180 1.00 0.00 H new ATOM 0 HA GLU A 88 2.259 10.445 1.217 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.297 12.750 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.353 12.657 0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.688 12.163 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.345 12.787 3.659 1.00 0.00 H new TER 1267 GLU A 88