USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 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 34 ASN : amide:sc= -1.72 K(o=-1.8,f=-4.2!) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.105 K(o=-1.8,f=-5.4!) USER MOD Set 1.3: A 45 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.436) USER MOD Set 2.1: A 25 THR OG1 : rot 75:sc= 0.116 USER MOD Set 2.2: A 80 THR OG1 : rot 73:sc= 0.0739 USER MOD Single : A 3 GLN : amide:sc= -0.0939 K(o=-0.094,f=-4.7!) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.209) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00789 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00916 USER MOD Single : A 20 THR OG1 : rot 81:sc= 0.977 USER MOD Single : A 24 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.16) USER MOD Single : A 27 SER OG : rot 114:sc= 1.17 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -39:sc= -2.08! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0365 X(o=-0.036,f=-0.36) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -110:sc= 1.24 USER MOD Single : A 46 SER OG : rot 180:sc= -0.184 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -88:sc= 0.398 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 45:sc= 0.121 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.39 K(o=-1.4,f=-6.8!) USER MOD Single : A 75 ASN : amide:sc= -4.33 K(o=-4.3,f=-8.5!) USER MOD Single : A 81 MET CE :methyl -156:sc= 0 (180deg=-0.0882) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -68:sc= 0.758 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.913 -9.895 -10.047 1.00 0.00 N ATOM 2 CA ALA A 2 -6.254 -9.349 -8.704 1.00 0.00 C ATOM 3 C ALA A 2 -5.297 -8.206 -8.360 1.00 0.00 C ATOM 4 O ALA A 2 -4.243 -8.419 -7.792 1.00 0.00 O ATOM 5 CB ALA A 2 -6.125 -10.454 -7.656 1.00 0.00 C ATOM 0 HA ALA A 2 -7.278 -8.975 -8.714 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.375 -10.054 -6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.807 -11.269 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.101 -10.828 -7.646 1.00 0.00 H new ATOM 13 N GLN A 3 -5.658 -6.997 -8.705 1.00 0.00 N ATOM 14 CA GLN A 3 -4.777 -5.830 -8.404 1.00 0.00 C ATOM 15 C GLN A 3 -5.570 -4.537 -8.580 1.00 0.00 C ATOM 16 O GLN A 3 -6.510 -4.476 -9.349 1.00 0.00 O ATOM 17 CB GLN A 3 -3.580 -5.825 -9.360 1.00 0.00 C ATOM 18 CG GLN A 3 -4.069 -5.954 -10.808 1.00 0.00 C ATOM 19 CD GLN A 3 -2.887 -6.271 -11.732 1.00 0.00 C ATOM 20 OE1 GLN A 3 -1.776 -6.473 -11.281 1.00 0.00 O ATOM 21 NE2 GLN A 3 -3.083 -6.325 -13.021 1.00 0.00 N ATOM 0 H GLN A 3 -6.529 -6.767 -9.184 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.419 -5.905 -7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.011 -4.903 -9.240 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.907 -6.648 -9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.819 -6.742 -10.879 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.549 -5.028 -11.123 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.014 -6.156 -13.403 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.306 -6.536 -13.647 1.00 0.00 H new ATOM 30 N LYS A 4 -5.193 -3.503 -7.872 1.00 0.00 N ATOM 31 CA LYS A 4 -5.921 -2.205 -7.996 1.00 0.00 C ATOM 32 C LYS A 4 -4.930 -1.047 -7.876 1.00 0.00 C ATOM 33 O LYS A 4 -3.926 -1.146 -7.196 1.00 0.00 O ATOM 34 CB LYS A 4 -6.976 -2.101 -6.887 1.00 0.00 C ATOM 35 CG LYS A 4 -8.258 -1.488 -7.454 1.00 0.00 C ATOM 36 CD LYS A 4 -8.922 -0.611 -6.390 1.00 0.00 C ATOM 37 CE LYS A 4 -10.338 -0.246 -6.841 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.267 0.561 -8.092 1.00 0.00 N ATOM 0 H LYS A 4 -4.413 -3.502 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.413 -2.157 -8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.184 -3.089 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.599 -1.488 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.029 -0.894 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.942 -2.276 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.957 -1.140 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.335 0.294 -6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.922 -1.151 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.846 0.319 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.194 0.993 -8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.552 1.309 -7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.005 -0.055 -8.888 1.00 0.00 H new ATOM 52 N THR A 5 -5.208 0.051 -8.533 1.00 0.00 N ATOM 53 CA THR A 5 -4.288 1.224 -8.465 1.00 0.00 C ATOM 54 C THR A 5 -4.829 2.241 -7.460 1.00 0.00 C ATOM 55 O THR A 5 -5.916 2.764 -7.618 1.00 0.00 O ATOM 56 CB THR A 5 -4.187 1.877 -9.847 1.00 0.00 C ATOM 57 OG1 THR A 5 -3.819 0.896 -10.805 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.134 2.985 -9.815 1.00 0.00 C ATOM 0 H THR A 5 -6.035 0.184 -9.115 1.00 0.00 H new ATOM 0 HA THR A 5 -3.300 0.890 -8.148 1.00 0.00 H new ATOM 0 HB THR A 5 -5.151 2.306 -10.119 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.755 1.311 -11.690 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.063 3.448 -10.799 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.419 3.737 -9.079 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.167 2.561 -9.544 1.00 0.00 H new ATOM 66 N PHE A 6 -4.076 2.521 -6.429 1.00 0.00 N ATOM 67 CA PHE A 6 -4.532 3.505 -5.404 1.00 0.00 C ATOM 68 C PHE A 6 -3.886 4.863 -5.683 1.00 0.00 C ATOM 69 O PHE A 6 -2.904 4.957 -6.395 1.00 0.00 O ATOM 70 CB PHE A 6 -4.115 3.020 -4.015 1.00 0.00 C ATOM 71 CG PHE A 6 -4.912 1.792 -3.646 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.548 0.542 -4.160 1.00 0.00 C ATOM 73 CD2 PHE A 6 -6.013 1.903 -2.790 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.286 -0.598 -3.817 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.750 0.765 -2.447 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.388 -0.486 -2.960 1.00 0.00 C ATOM 0 H PHE A 6 -3.160 2.108 -6.252 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.617 3.601 -5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.049 2.791 -4.004 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.280 3.807 -3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.698 0.457 -4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.294 2.868 -2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.005 -1.563 -4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.599 0.852 -1.786 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.958 -1.364 -2.695 1.00 0.00 H new ATOM 86 N LYS A 7 -4.430 5.914 -5.124 1.00 0.00 N ATOM 87 CA LYS A 7 -3.852 7.271 -5.349 1.00 0.00 C ATOM 88 C LYS A 7 -3.222 7.775 -4.050 1.00 0.00 C ATOM 89 O LYS A 7 -3.801 7.662 -2.985 1.00 0.00 O ATOM 90 CB LYS A 7 -4.957 8.234 -5.787 1.00 0.00 C ATOM 91 CG LYS A 7 -4.355 9.332 -6.669 1.00 0.00 C ATOM 92 CD LYS A 7 -3.831 8.721 -7.979 1.00 0.00 C ATOM 93 CE LYS A 7 -4.561 9.342 -9.174 1.00 0.00 C ATOM 94 NZ LYS A 7 -3.717 10.419 -9.765 1.00 0.00 N ATOM 0 H LYS A 7 -5.252 5.889 -4.520 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.091 7.217 -6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.729 7.694 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.437 8.676 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.108 10.090 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.543 9.832 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.758 8.894 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.980 7.641 -7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.772 8.578 -9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.520 9.750 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.211 10.842 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.538 11.152 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.812 10.016 -10.082 1.00 0.00 H new ATOM 108 N VAL A 8 -2.040 8.329 -4.132 1.00 0.00 N ATOM 109 CA VAL A 8 -1.361 8.844 -2.906 1.00 0.00 C ATOM 110 C VAL A 8 -1.751 10.307 -2.687 1.00 0.00 C ATOM 111 O VAL A 8 -1.316 11.187 -3.405 1.00 0.00 O ATOM 112 CB VAL A 8 0.157 8.740 -3.077 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.842 9.074 -1.751 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.530 7.315 -3.493 1.00 0.00 C ATOM 0 H VAL A 8 -1.514 8.447 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.668 8.251 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 8 0.483 9.441 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.923 9.000 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.579 10.088 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.513 8.372 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.611 7.243 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.203 6.614 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.042 7.072 -4.437 1.00 0.00 H new ATOM 124 N THR A 9 -2.572 10.570 -1.702 1.00 0.00 N ATOM 125 CA THR A 9 -3.000 11.974 -1.429 1.00 0.00 C ATOM 126 C THR A 9 -2.638 12.379 0.010 1.00 0.00 C ATOM 127 O THR A 9 -2.885 13.500 0.416 1.00 0.00 O ATOM 128 CB THR A 9 -4.514 12.086 -1.620 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.915 11.260 -2.704 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.888 13.539 -1.918 1.00 0.00 C ATOM 0 H THR A 9 -2.965 9.870 -1.073 1.00 0.00 H new ATOM 0 HA THR A 9 -2.485 12.640 -2.121 1.00 0.00 H new ATOM 0 HB THR A 9 -5.020 11.763 -0.710 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.885 11.329 -2.827 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.967 13.617 -2.054 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.581 14.172 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.384 13.865 -2.827 1.00 0.00 H new ATOM 138 N ALA A 10 -2.060 11.487 0.785 1.00 0.00 N ATOM 139 CA ALA A 10 -1.692 11.838 2.188 1.00 0.00 C ATOM 140 C ALA A 10 -0.659 12.967 2.180 1.00 0.00 C ATOM 141 O ALA A 10 0.279 12.954 1.404 1.00 0.00 O ATOM 142 CB ALA A 10 -1.100 10.609 2.882 1.00 0.00 C ATOM 0 H ALA A 10 -1.830 10.534 0.503 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.582 12.166 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.831 10.864 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.836 9.805 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.210 10.281 2.344 1.00 0.00 H new ATOM 148 N ASP A 11 -0.825 13.941 3.038 1.00 0.00 N ATOM 149 CA ASP A 11 0.143 15.075 3.089 1.00 0.00 C ATOM 150 C ASP A 11 1.516 14.556 3.521 1.00 0.00 C ATOM 151 O ASP A 11 2.537 14.986 3.018 1.00 0.00 O ATOM 152 CB ASP A 11 -0.348 16.121 4.094 1.00 0.00 C ATOM 153 CG ASP A 11 -0.605 15.451 5.445 1.00 0.00 C ATOM 154 OD1 ASP A 11 -1.708 14.973 5.647 1.00 0.00 O ATOM 155 OD2 ASP A 11 0.308 15.426 6.254 1.00 0.00 O ATOM 0 H ASP A 11 -1.593 13.999 3.707 1.00 0.00 H new ATOM 0 HA ASP A 11 0.222 15.530 2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.394 16.912 4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.262 16.590 3.729 1.00 0.00 H new ATOM 160 N SER A 12 1.546 13.632 4.449 1.00 0.00 N ATOM 161 CA SER A 12 2.849 13.078 4.919 1.00 0.00 C ATOM 162 C SER A 12 3.438 12.175 3.834 1.00 0.00 C ATOM 163 O SER A 12 4.641 12.052 3.703 1.00 0.00 O ATOM 164 CB SER A 12 2.630 12.260 6.192 1.00 0.00 C ATOM 165 OG SER A 12 1.958 11.052 5.863 1.00 0.00 O ATOM 0 H SER A 12 0.721 13.238 4.901 1.00 0.00 H new ATOM 0 HA SER A 12 3.536 13.898 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.587 12.040 6.666 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.043 12.833 6.910 1.00 0.00 H new ATOM 0 HG SER A 12 1.817 10.524 6.676 1.00 0.00 H new ATOM 171 N GLY A 13 2.595 11.537 3.063 1.00 0.00 N ATOM 172 CA GLY A 13 3.094 10.633 1.987 1.00 0.00 C ATOM 173 C GLY A 13 3.119 9.196 2.510 1.00 0.00 C ATOM 174 O GLY A 13 2.345 8.830 3.374 1.00 0.00 O ATOM 0 H GLY A 13 1.580 11.604 3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.451 10.702 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.093 10.937 1.675 1.00 0.00 H new ATOM 178 N ILE A 14 4.003 8.382 1.992 1.00 0.00 N ATOM 179 CA ILE A 14 4.083 6.966 2.457 1.00 0.00 C ATOM 180 C ILE A 14 5.365 6.771 3.268 1.00 0.00 C ATOM 181 O ILE A 14 6.367 6.305 2.757 1.00 0.00 O ATOM 182 CB ILE A 14 4.096 6.017 1.251 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.993 6.411 0.250 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.870 4.580 1.728 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.617 6.367 0.924 1.00 0.00 C ATOM 0 H ILE A 14 4.673 8.638 1.267 1.00 0.00 H new ATOM 0 HA ILE A 14 3.215 6.744 3.078 1.00 0.00 H new ATOM 0 HB ILE A 14 5.064 6.089 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.184 7.413 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.009 5.733 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.879 3.906 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.663 4.297 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.906 4.512 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.849 6.648 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.422 5.358 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.600 7.064 1.762 1.00 0.00 H new HETATM 197 N HIP A 15 5.338 7.121 4.529 1.00 0.00 N HETATM 198 CA HIP A 15 6.550 6.953 5.379 1.00 0.00 C HETATM 199 CB HIP A 15 6.773 8.208 6.251 1.00 0.00 C HETATM 200 CG HIP A 15 5.665 8.411 7.256 1.00 0.00 C HETATM 201 CD2 HIP A 15 4.325 8.649 7.093 1.00 0.00 C HETATM 202 NE2 HIP A 15 3.719 8.792 8.329 1.00 0.00 N HETATM 203 CE1 HIP A 15 4.693 8.645 9.223 1.00 0.00 C HETATM 204 ND1 HIP A 15 5.890 8.417 8.638 1.00 0.00 N HETATM 205 P HIP A 15 7.216 8.621 9.298 1.00 0.00 P HETATM 206 O1P HIP A 15 8.106 9.428 8.432 1.00 0.00 O HETATM 207 O2P HIP A 15 7.844 7.317 9.606 1.00 0.00 O HETATM 208 O3P HIP A 15 6.861 9.356 10.536 1.00 0.00 O HETATM 209 C HIP A 15 6.404 5.677 6.223 1.00 0.00 C HETATM 210 O HIP A 15 5.748 4.737 5.812 1.00 0.00 O HETATM 0 HE2 HIP A 15 2.733 8.972 8.515 1.00 0.00 H new HETATM 0 HE1 HIP A 15 4.543 8.702 10.301 1.00 0.00 H new HETATM 0 HD2 HIP A 15 3.813 8.716 6.133 1.00 0.00 H new HETATM 0 HB3 HIP A 15 7.724 8.119 6.775 1.00 0.00 H new HETATM 0 HB2 HIP A 15 6.844 9.086 5.609 1.00 0.00 H new HETATM 0 HA HIP A 15 7.434 6.843 4.751 1.00 0.00 H new HETATM 0 H HIP A 15 4.792 7.981 4.583 1.00 0.00 H new ATOM 218 N ALA A 16 7.029 5.610 7.372 1.00 0.00 N ATOM 219 CA ALA A 16 6.950 4.369 8.207 1.00 0.00 C ATOM 220 C ALA A 16 5.565 4.181 8.849 1.00 0.00 C ATOM 221 O ALA A 16 5.140 3.061 9.064 1.00 0.00 O ATOM 222 CB ALA A 16 8.008 4.440 9.308 1.00 0.00 C ATOM 0 H ALA A 16 7.592 6.362 7.770 1.00 0.00 H new ATOM 0 HA ALA A 16 7.126 3.517 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.957 3.540 9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.998 4.517 8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.825 5.314 9.932 1.00 0.00 H new ATOM 228 N ARG A 17 4.865 5.242 9.186 1.00 0.00 N ATOM 229 CA ARG A 17 3.526 5.070 9.843 1.00 0.00 C ATOM 230 C ARG A 17 2.547 4.294 8.929 1.00 0.00 C ATOM 231 O ARG A 17 1.965 3.325 9.377 1.00 0.00 O ATOM 232 CB ARG A 17 2.937 6.431 10.233 1.00 0.00 C ATOM 233 CG ARG A 17 1.701 6.217 11.113 1.00 0.00 C ATOM 234 CD ARG A 17 0.666 7.312 10.835 1.00 0.00 C ATOM 235 NE ARG A 17 0.228 7.919 12.123 1.00 0.00 N ATOM 236 CZ ARG A 17 0.430 9.188 12.348 1.00 0.00 C ATOM 237 NH1 ARG A 17 1.625 9.693 12.211 1.00 0.00 N ATOM 238 NH2 ARG A 17 -0.565 9.952 12.710 1.00 0.00 N ATOM 0 H ARG A 17 5.158 6.208 9.037 1.00 0.00 H new ATOM 0 HA ARG A 17 3.672 4.483 10.750 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.680 7.021 10.768 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.668 6.993 9.339 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.268 5.237 10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.986 6.233 12.165 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.095 8.077 10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.191 6.892 10.308 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.230 7.342 12.829 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.402 9.096 11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.783 10.685 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.499 9.556 12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.408 10.944 12.886 1.00 0.00 H new ATOM 252 N PRO A 18 2.379 4.703 7.679 1.00 0.00 N ATOM 253 CA PRO A 18 1.465 3.993 6.762 1.00 0.00 C ATOM 254 C PRO A 18 2.073 2.655 6.329 1.00 0.00 C ATOM 255 O PRO A 18 1.367 1.740 5.952 1.00 0.00 O ATOM 256 CB PRO A 18 1.319 4.944 5.573 1.00 0.00 C ATOM 257 CG PRO A 18 2.557 5.863 5.601 1.00 0.00 C ATOM 258 CD PRO A 18 3.058 5.866 7.056 1.00 0.00 C ATOM 0 HA PRO A 18 0.505 3.754 7.220 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.267 4.390 4.636 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.401 5.526 5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.329 5.496 4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.301 6.871 5.276 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.142 5.766 7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.801 6.796 7.564 1.00 0.00 H new ATOM 266 N ALA A 19 3.377 2.533 6.386 1.00 0.00 N ATOM 267 CA ALA A 19 4.032 1.254 5.986 1.00 0.00 C ATOM 268 C ALA A 19 3.761 0.189 7.054 1.00 0.00 C ATOM 269 O ALA A 19 3.733 -0.993 6.768 1.00 0.00 O ATOM 270 CB ALA A 19 5.540 1.471 5.852 1.00 0.00 C ATOM 0 H ALA A 19 4.015 3.267 6.693 1.00 0.00 H new ATOM 0 HA ALA A 19 3.629 0.922 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.018 0.536 5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.732 2.229 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.946 1.803 6.808 1.00 0.00 H new ATOM 276 N THR A 20 3.561 0.601 8.283 1.00 0.00 N ATOM 277 CA THR A 20 3.289 -0.380 9.373 1.00 0.00 C ATOM 278 C THR A 20 1.809 -0.772 9.351 1.00 0.00 C ATOM 279 O THR A 20 1.444 -1.872 9.722 1.00 0.00 O ATOM 280 CB THR A 20 3.628 0.250 10.727 1.00 0.00 C ATOM 281 OG1 THR A 20 4.731 1.132 10.574 1.00 0.00 O ATOM 282 CG2 THR A 20 3.987 -0.848 11.728 1.00 0.00 C ATOM 0 H THR A 20 3.575 1.578 8.576 1.00 0.00 H new ATOM 0 HA THR A 20 3.903 -1.268 9.221 1.00 0.00 H new ATOM 0 HB THR A 20 2.765 0.806 11.095 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.416 1.992 10.225 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.228 -0.398 12.691 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.140 -1.524 11.845 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.849 -1.406 11.362 1.00 0.00 H new ATOM 290 N VAL A 21 0.958 0.121 8.910 1.00 0.00 N ATOM 291 CA VAL A 21 -0.501 -0.189 8.853 1.00 0.00 C ATOM 292 C VAL A 21 -0.749 -1.186 7.728 1.00 0.00 C ATOM 293 O VAL A 21 -1.546 -2.098 7.843 1.00 0.00 O ATOM 294 CB VAL A 21 -1.285 1.087 8.559 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.785 0.802 8.653 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.912 2.174 9.573 1.00 0.00 C ATOM 0 H VAL A 21 1.213 1.054 8.586 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.823 -0.605 9.808 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.040 1.431 7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.343 1.715 8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.056 0.036 7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.027 0.452 9.657 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.475 3.082 9.357 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.150 1.830 10.579 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.155 2.384 9.505 1.00 0.00 H new ATOM 306 N LEU A 22 -0.071 -0.998 6.633 1.00 0.00 N ATOM 307 CA LEU A 22 -0.242 -1.895 5.463 1.00 0.00 C ATOM 308 C LEU A 22 0.376 -3.264 5.752 1.00 0.00 C ATOM 309 O LEU A 22 -0.258 -4.284 5.573 1.00 0.00 O ATOM 310 CB LEU A 22 0.455 -1.257 4.267 1.00 0.00 C ATOM 311 CG LEU A 22 -0.237 0.062 3.924 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.555 0.776 2.827 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.656 -0.219 3.425 1.00 0.00 C ATOM 0 H LEU A 22 0.606 -0.247 6.499 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.303 -2.034 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.506 -1.081 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.423 -1.931 3.411 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.284 0.691 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.065 1.718 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.567 0.975 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.598 0.145 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.149 0.722 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.611 -0.847 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.220 -0.733 4.203 1.00 0.00 H new ATOM 325 N VAL A 23 1.611 -3.296 6.190 1.00 0.00 N ATOM 326 CA VAL A 23 2.279 -4.604 6.483 1.00 0.00 C ATOM 327 C VAL A 23 1.428 -5.421 7.472 1.00 0.00 C ATOM 328 O VAL A 23 1.473 -6.637 7.483 1.00 0.00 O ATOM 329 CB VAL A 23 3.675 -4.342 7.071 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.553 -3.576 8.391 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.387 -5.675 7.322 1.00 0.00 C ATOM 0 H VAL A 23 2.187 -2.471 6.358 1.00 0.00 H new ATOM 0 HA VAL A 23 2.380 -5.175 5.560 1.00 0.00 H new ATOM 0 HB VAL A 23 4.251 -3.747 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.547 -3.395 8.800 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.055 -2.623 8.214 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.970 -4.164 9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.376 -5.486 7.739 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.805 -6.272 8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.487 -6.217 6.382 1.00 0.00 H new ATOM 341 N GLN A 24 0.661 -4.756 8.299 1.00 0.00 N ATOM 342 CA GLN A 24 -0.191 -5.482 9.287 1.00 0.00 C ATOM 343 C GLN A 24 -1.386 -6.124 8.575 1.00 0.00 C ATOM 344 O GLN A 24 -1.803 -7.217 8.911 1.00 0.00 O ATOM 345 CB GLN A 24 -0.698 -4.492 10.341 1.00 0.00 C ATOM 346 CG GLN A 24 0.405 -4.211 11.372 1.00 0.00 C ATOM 347 CD GLN A 24 -0.065 -4.628 12.769 1.00 0.00 C ATOM 348 OE1 GLN A 24 -1.137 -4.250 13.199 1.00 0.00 O ATOM 349 NE2 GLN A 24 0.696 -5.395 13.499 1.00 0.00 N ATOM 0 H GLN A 24 0.589 -3.739 8.332 1.00 0.00 H new ATOM 0 HA GLN A 24 0.400 -6.262 9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.004 -3.562 9.861 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.578 -4.898 10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.310 -4.757 11.106 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.658 -3.151 11.366 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.596 -5.712 13.138 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.391 -5.678 14.431 1.00 0.00 H new ATOM 358 N THR A 25 -1.944 -5.451 7.599 1.00 0.00 N ATOM 359 CA THR A 25 -3.120 -6.014 6.867 1.00 0.00 C ATOM 360 C THR A 25 -2.674 -7.161 5.955 1.00 0.00 C ATOM 361 O THR A 25 -3.092 -8.290 6.121 1.00 0.00 O ATOM 362 CB THR A 25 -3.767 -4.914 6.022 1.00 0.00 C ATOM 363 OG1 THR A 25 -4.050 -3.792 6.845 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.066 -5.438 5.407 1.00 0.00 C ATOM 0 H THR A 25 -1.635 -4.534 7.277 1.00 0.00 H new ATOM 0 HA THR A 25 -3.840 -6.395 7.591 1.00 0.00 H new ATOM 0 HB THR A 25 -3.084 -4.618 5.226 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.218 -3.312 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.526 -4.654 4.805 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.848 -6.299 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.751 -5.735 6.201 1.00 0.00 H new ATOM 372 N ALA A 26 -1.837 -6.878 4.988 1.00 0.00 N ATOM 373 CA ALA A 26 -1.364 -7.945 4.053 1.00 0.00 C ATOM 374 C ALA A 26 -0.686 -9.080 4.830 1.00 0.00 C ATOM 375 O ALA A 26 -0.567 -10.186 4.337 1.00 0.00 O ATOM 376 CB ALA A 26 -0.365 -7.347 3.063 1.00 0.00 C ATOM 0 H ALA A 26 -1.459 -5.948 4.805 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.225 -8.348 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.019 -8.124 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.848 -6.553 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.486 -6.937 3.607 1.00 0.00 H new ATOM 382 N SER A 27 -0.239 -8.820 6.037 1.00 0.00 N ATOM 383 CA SER A 27 0.431 -9.890 6.840 1.00 0.00 C ATOM 384 C SER A 27 -0.544 -11.052 7.055 1.00 0.00 C ATOM 385 O SER A 27 -0.174 -12.208 6.978 1.00 0.00 O ATOM 386 CB SER A 27 0.856 -9.320 8.194 1.00 0.00 C ATOM 387 OG SER A 27 2.220 -8.923 8.128 1.00 0.00 O ATOM 0 H SER A 27 -0.310 -7.913 6.499 1.00 0.00 H new ATOM 0 HA SER A 27 1.311 -10.249 6.306 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.229 -8.468 8.456 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.720 -10.068 8.975 1.00 0.00 H new ATOM 0 HG SER A 27 2.282 -7.950 8.222 1.00 0.00 H new ATOM 393 N LYS A 28 -1.788 -10.746 7.323 1.00 0.00 N ATOM 394 CA LYS A 28 -2.801 -11.819 7.544 1.00 0.00 C ATOM 395 C LYS A 28 -3.116 -12.524 6.219 1.00 0.00 C ATOM 396 O LYS A 28 -3.577 -13.651 6.209 1.00 0.00 O ATOM 397 CB LYS A 28 -4.082 -11.198 8.108 1.00 0.00 C ATOM 398 CG LYS A 28 -3.830 -10.721 9.540 1.00 0.00 C ATOM 399 CD LYS A 28 -4.646 -9.455 9.810 1.00 0.00 C ATOM 400 CE LYS A 28 -5.082 -9.433 11.276 1.00 0.00 C ATOM 401 NZ LYS A 28 -3.940 -8.995 12.127 1.00 0.00 N ATOM 0 H LYS A 28 -2.146 -9.794 7.398 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.403 -12.548 8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.398 -10.361 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.890 -11.929 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.107 -11.502 10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.769 -10.520 9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.051 -8.570 9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.520 -9.427 9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.926 -8.756 11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.418 -10.424 11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.236 -8.980 13.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.147 -9.657 12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.639 -8.042 11.841 1.00 0.00 H new ATOM 415 N TYR A 29 -2.876 -11.876 5.103 1.00 0.00 N ATOM 416 CA TYR A 29 -3.167 -12.516 3.785 1.00 0.00 C ATOM 417 C TYR A 29 -1.940 -13.293 3.309 1.00 0.00 C ATOM 418 O TYR A 29 -0.836 -12.783 3.296 1.00 0.00 O ATOM 419 CB TYR A 29 -3.525 -11.442 2.753 1.00 0.00 C ATOM 420 CG TYR A 29 -4.837 -10.802 3.138 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.043 -11.396 2.749 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.848 -9.620 3.887 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.261 -10.807 3.110 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.066 -9.032 4.248 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.273 -9.625 3.859 1.00 0.00 C ATOM 426 OH TYR A 29 -8.473 -9.046 4.215 1.00 0.00 O ATOM 0 H TYR A 29 -2.492 -10.933 5.050 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.008 -13.200 3.898 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.739 -10.688 2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.600 -11.885 1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.034 -12.308 2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.917 -9.162 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.192 -11.265 2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.075 -8.120 4.827 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.107 -9.123 3.471 1.00 0.00 H new ATOM 436 N ASP A 30 -2.131 -14.528 2.921 1.00 0.00 N ATOM 437 CA ASP A 30 -0.985 -15.357 2.443 1.00 0.00 C ATOM 438 C ASP A 30 -0.556 -14.892 1.049 1.00 0.00 C ATOM 439 O ASP A 30 0.583 -15.064 0.656 1.00 0.00 O ATOM 440 CB ASP A 30 -1.411 -16.826 2.381 1.00 0.00 C ATOM 441 CG ASP A 30 -1.955 -17.258 3.743 1.00 0.00 C ATOM 442 OD1 ASP A 30 -1.168 -17.354 4.670 1.00 0.00 O ATOM 443 OD2 ASP A 30 -3.151 -17.485 3.837 1.00 0.00 O ATOM 0 H ASP A 30 -3.036 -14.999 2.915 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.148 -15.247 3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.173 -16.962 1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.562 -17.450 2.102 1.00 0.00 H new ATOM 448 N ALA A 31 -1.458 -14.306 0.298 1.00 0.00 N ATOM 449 CA ALA A 31 -1.106 -13.827 -1.074 1.00 0.00 C ATOM 450 C ALA A 31 0.027 -12.802 -0.986 1.00 0.00 C ATOM 451 O ALA A 31 0.108 -12.034 -0.046 1.00 0.00 O ATOM 452 CB ALA A 31 -2.333 -13.176 -1.715 1.00 0.00 C ATOM 0 H ALA A 31 -2.425 -14.139 0.578 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.782 -14.673 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.078 -12.826 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.140 -13.906 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.656 -12.331 -1.107 1.00 0.00 H new ATOM 458 N ASP A 32 0.902 -12.791 -1.957 1.00 0.00 N ATOM 459 CA ASP A 32 2.037 -11.825 -1.939 1.00 0.00 C ATOM 460 C ASP A 32 1.620 -10.530 -2.639 1.00 0.00 C ATOM 461 O ASP A 32 1.677 -10.422 -3.851 1.00 0.00 O ATOM 462 CB ASP A 32 3.236 -12.435 -2.667 1.00 0.00 C ATOM 463 CG ASP A 32 3.767 -13.625 -1.866 1.00 0.00 C ATOM 464 OD1 ASP A 32 4.328 -13.398 -0.807 1.00 0.00 O ATOM 465 OD2 ASP A 32 3.604 -14.744 -2.325 1.00 0.00 O ATOM 0 H ASP A 32 0.878 -13.413 -2.765 1.00 0.00 H new ATOM 0 HA ASP A 32 2.310 -11.606 -0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.943 -12.757 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.019 -11.687 -2.790 1.00 0.00 H new ATOM 470 N VAL A 33 1.211 -9.545 -1.882 1.00 0.00 N ATOM 471 CA VAL A 33 0.797 -8.246 -2.486 1.00 0.00 C ATOM 472 C VAL A 33 2.012 -7.308 -2.520 1.00 0.00 C ATOM 473 O VAL A 33 2.786 -7.260 -1.582 1.00 0.00 O ATOM 474 CB VAL A 33 -0.338 -7.633 -1.645 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.512 -8.624 -1.552 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.167 -7.322 -0.233 1.00 0.00 C ATOM 0 H VAL A 33 1.146 -9.586 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 33 0.434 -8.397 -3.503 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.672 -6.712 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.312 -8.185 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.883 -8.843 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.173 -9.547 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.642 -6.889 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.509 -8.242 0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.994 -6.614 -0.290 1.00 0.00 H new ATOM 486 N ASN A 34 2.192 -6.578 -3.593 1.00 0.00 N ATOM 487 CA ASN A 34 3.370 -5.661 -3.681 1.00 0.00 C ATOM 488 C ASN A 34 2.931 -4.276 -4.162 1.00 0.00 C ATOM 489 O ASN A 34 2.076 -4.143 -5.016 1.00 0.00 O ATOM 490 CB ASN A 34 4.386 -6.241 -4.667 1.00 0.00 C ATOM 491 CG ASN A 34 4.743 -7.670 -4.253 1.00 0.00 C ATOM 492 OD1 ASN A 34 4.646 -8.019 -3.094 1.00 0.00 O ATOM 493 ND2 ASN A 34 5.154 -8.515 -5.157 1.00 0.00 N ATOM 0 H ASN A 34 1.578 -6.577 -4.407 1.00 0.00 H new ATOM 0 HA ASN A 34 3.821 -5.565 -2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.973 -6.236 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.283 -5.622 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.394 -9.470 -4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.235 -8.221 -6.130 1.00 0.00 H new ATOM 500 N LEU A 35 3.528 -3.244 -3.619 1.00 0.00 N ATOM 501 CA LEU A 35 3.175 -1.855 -4.035 1.00 0.00 C ATOM 502 C LEU A 35 4.264 -1.328 -4.975 1.00 0.00 C ATOM 503 O LEU A 35 5.426 -1.288 -4.622 1.00 0.00 O ATOM 504 CB LEU A 35 3.090 -0.961 -2.796 1.00 0.00 C ATOM 505 CG LEU A 35 2.609 0.435 -3.200 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.720 1.010 -2.092 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.818 1.351 -3.412 1.00 0.00 C ATOM 0 H LEU A 35 4.249 -3.307 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 35 2.213 -1.852 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.405 -1.396 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.066 -0.895 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 35 2.038 0.368 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.377 2.004 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.859 0.359 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.291 1.077 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.475 2.345 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.390 1.418 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.450 0.943 -4.201 1.00 0.00 H new ATOM 519 N GLU A 36 3.898 -0.932 -6.168 1.00 0.00 N ATOM 520 CA GLU A 36 4.915 -0.418 -7.135 1.00 0.00 C ATOM 521 C GLU A 36 4.926 1.112 -7.120 1.00 0.00 C ATOM 522 O GLU A 36 3.921 1.747 -6.856 1.00 0.00 O ATOM 523 CB GLU A 36 4.570 -0.910 -8.543 1.00 0.00 C ATOM 524 CG GLU A 36 5.805 -0.802 -9.438 1.00 0.00 C ATOM 525 CD GLU A 36 5.619 -1.686 -10.673 1.00 0.00 C ATOM 526 OE1 GLU A 36 5.047 -1.206 -11.639 1.00 0.00 O ATOM 527 OE2 GLU A 36 6.051 -2.825 -10.633 1.00 0.00 O ATOM 0 H GLU A 36 2.939 -0.942 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 36 5.900 -0.785 -6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.225 -1.943 -8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.755 -0.317 -8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.959 0.234 -9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.694 -1.110 -8.888 1.00 0.00 H new ATOM 534 N TYR A 37 6.058 1.706 -7.407 1.00 0.00 N ATOM 535 CA TYR A 37 6.148 3.196 -7.416 1.00 0.00 C ATOM 536 C TYR A 37 7.372 3.636 -8.229 1.00 0.00 C ATOM 537 O TYR A 37 8.499 3.377 -7.858 1.00 0.00 O ATOM 538 CB TYR A 37 6.275 3.711 -5.976 1.00 0.00 C ATOM 539 CG TYR A 37 6.289 5.226 -5.967 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.293 5.943 -6.641 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.303 5.911 -5.286 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.310 7.342 -6.633 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.319 7.310 -5.278 1.00 0.00 C ATOM 544 CZ TYR A 37 6.323 8.026 -5.952 1.00 0.00 C ATOM 545 OH TYR A 37 6.339 9.406 -5.943 1.00 0.00 O ATOM 0 H TYR A 37 6.925 1.220 -7.636 1.00 0.00 H new ATOM 0 HA TYR A 37 5.247 3.608 -7.871 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.443 3.343 -5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.190 3.328 -5.523 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.511 5.416 -7.167 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.073 5.359 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.541 7.894 -7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.100 7.838 -4.751 1.00 0.00 H new ATOM 0 HH TYR A 37 7.108 9.721 -5.424 1.00 0.00 H new ATOM 555 N ASN A 38 7.148 4.315 -9.328 1.00 0.00 N ATOM 556 CA ASN A 38 8.283 4.799 -10.177 1.00 0.00 C ATOM 557 C ASN A 38 9.062 3.610 -10.751 1.00 0.00 C ATOM 558 O ASN A 38 10.237 3.721 -11.050 1.00 0.00 O ATOM 559 CB ASN A 38 9.225 5.678 -9.337 1.00 0.00 C ATOM 560 CG ASN A 38 8.969 7.155 -9.648 1.00 0.00 C ATOM 561 OD1 ASN A 38 7.849 7.549 -9.906 1.00 0.00 O ATOM 562 ND2 ASN A 38 9.969 7.993 -9.636 1.00 0.00 N ATOM 0 H ASN A 38 6.220 4.557 -9.676 1.00 0.00 H new ATOM 0 HA ASN A 38 7.878 5.387 -11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.066 5.487 -8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.263 5.426 -9.554 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.811 8.979 -9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.909 7.662 -9.419 1.00 0.00 H new ATOM 569 N GLY A 39 8.419 2.482 -10.923 1.00 0.00 N ATOM 570 CA GLY A 39 9.119 1.295 -11.497 1.00 0.00 C ATOM 571 C GLY A 39 9.738 0.434 -10.386 1.00 0.00 C ATOM 572 O GLY A 39 10.057 -0.720 -10.603 1.00 0.00 O ATOM 0 H GLY A 39 7.437 2.333 -10.690 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.415 0.697 -12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.898 1.624 -12.184 1.00 0.00 H new ATOM 576 N LYS A 40 9.910 0.976 -9.205 1.00 0.00 N ATOM 577 CA LYS A 40 10.509 0.180 -8.093 1.00 0.00 C ATOM 578 C LYS A 40 9.396 -0.551 -7.343 1.00 0.00 C ATOM 579 O LYS A 40 8.568 0.062 -6.693 1.00 0.00 O ATOM 580 CB LYS A 40 11.242 1.117 -7.129 1.00 0.00 C ATOM 581 CG LYS A 40 12.679 1.326 -7.612 1.00 0.00 C ATOM 582 CD LYS A 40 12.710 2.447 -8.655 1.00 0.00 C ATOM 583 CE LYS A 40 12.660 1.843 -10.060 1.00 0.00 C ATOM 584 NZ LYS A 40 14.045 1.714 -10.595 1.00 0.00 N ATOM 0 H LYS A 40 9.661 1.935 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 40 11.215 -0.544 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.724 2.074 -7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.243 0.694 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.323 1.580 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.067 0.403 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.864 3.119 -8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.615 3.043 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.178 0.866 -10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.062 2.474 -10.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.011 1.303 -11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.490 2.653 -10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.602 1.095 -9.972 1.00 0.00 H new ATOM 598 N THR A 41 9.367 -1.855 -7.438 1.00 0.00 N ATOM 599 CA THR A 41 8.305 -2.638 -6.743 1.00 0.00 C ATOM 600 C THR A 41 8.827 -3.138 -5.394 1.00 0.00 C ATOM 601 O THR A 41 9.720 -3.960 -5.331 1.00 0.00 O ATOM 602 CB THR A 41 7.905 -3.835 -7.608 1.00 0.00 C ATOM 603 OG1 THR A 41 7.893 -3.447 -8.975 1.00 0.00 O ATOM 604 CG2 THR A 41 6.512 -4.319 -7.200 1.00 0.00 C ATOM 0 H THR A 41 10.036 -2.412 -7.969 1.00 0.00 H new ATOM 0 HA THR A 41 7.438 -1.998 -6.579 1.00 0.00 H new ATOM 0 HB THR A 41 8.623 -4.642 -7.466 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.969 -3.430 -9.302 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.228 -5.172 -7.817 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.523 -4.617 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.791 -3.513 -7.341 1.00 0.00 H new ATOM 612 N VAL A 42 8.259 -2.654 -4.320 1.00 0.00 N ATOM 613 CA VAL A 42 8.700 -3.107 -2.963 1.00 0.00 C ATOM 614 C VAL A 42 7.641 -4.038 -2.382 1.00 0.00 C ATOM 615 O VAL A 42 6.461 -3.884 -2.637 1.00 0.00 O ATOM 616 CB VAL A 42 8.898 -1.919 -1.999 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.323 -1.379 -2.131 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.891 -0.796 -2.296 1.00 0.00 C ATOM 0 H VAL A 42 7.508 -1.964 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 42 9.655 -3.620 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 42 8.731 -2.272 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.459 -0.540 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.035 -2.167 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.492 -1.045 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.052 0.030 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.030 -0.444 -3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.876 -1.177 -2.178 1.00 0.00 H new ATOM 628 N ASN A 43 8.055 -4.998 -1.598 1.00 0.00 N ATOM 629 CA ASN A 43 7.077 -5.940 -0.988 1.00 0.00 C ATOM 630 C ASN A 43 6.262 -5.195 0.068 1.00 0.00 C ATOM 631 O ASN A 43 6.800 -4.441 0.857 1.00 0.00 O ATOM 632 CB ASN A 43 7.829 -7.099 -0.330 1.00 0.00 C ATOM 633 CG ASN A 43 6.861 -8.255 -0.072 1.00 0.00 C ATOM 634 OD1 ASN A 43 6.499 -8.520 1.057 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.422 -8.960 -1.080 1.00 0.00 N ATOM 0 H ASN A 43 9.031 -5.169 -1.355 1.00 0.00 H new ATOM 0 HA ASN A 43 6.412 -6.333 -1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.644 -7.430 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.277 -6.770 0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.776 -9.732 -0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.725 -8.738 -2.028 1.00 0.00 H new ATOM 642 N LEU A 44 4.968 -5.403 0.095 1.00 0.00 N ATOM 643 CA LEU A 44 4.106 -4.710 1.105 1.00 0.00 C ATOM 644 C LEU A 44 4.644 -4.996 2.519 1.00 0.00 C ATOM 645 O LEU A 44 4.456 -4.217 3.433 1.00 0.00 O ATOM 646 CB LEU A 44 2.662 -5.223 0.955 1.00 0.00 C ATOM 647 CG LEU A 44 1.638 -4.288 1.637 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.772 -4.384 3.158 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.839 -2.830 1.190 1.00 0.00 C ATOM 0 H LEU A 44 4.469 -6.025 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 44 4.120 -3.632 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.419 -5.315 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.586 -6.220 1.388 1.00 0.00 H new ATOM 0 HG LEU A 44 0.639 -4.606 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.046 -3.722 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.587 -5.410 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.779 -4.089 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.106 -2.193 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.843 -2.502 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.711 -2.760 0.110 1.00 0.00 H new ATOM 661 N LYS A 45 5.340 -6.097 2.688 1.00 0.00 N ATOM 662 CA LYS A 45 5.919 -6.426 4.023 1.00 0.00 C ATOM 663 C LYS A 45 7.328 -5.825 4.107 1.00 0.00 C ATOM 664 O LYS A 45 8.302 -6.517 4.345 1.00 0.00 O ATOM 665 CB LYS A 45 5.996 -7.949 4.191 1.00 0.00 C ATOM 666 CG LYS A 45 4.616 -8.568 3.954 1.00 0.00 C ATOM 667 CD LYS A 45 4.781 -9.984 3.390 1.00 0.00 C ATOM 668 CE LYS A 45 3.691 -10.252 2.350 1.00 0.00 C ATOM 669 NZ LYS A 45 4.199 -11.221 1.337 1.00 0.00 N ATOM 0 H LYS A 45 5.530 -6.780 1.955 1.00 0.00 H new ATOM 0 HA LYS A 45 5.291 -6.015 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.717 -8.366 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.348 -8.196 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.055 -8.600 4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.044 -7.953 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.766 -10.093 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.718 -10.717 4.195 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.800 -10.650 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.400 -9.321 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.406 -11.781 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.653 -10.703 0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.893 -11.856 1.781 1.00 0.00 H new ATOM 683 N SER A 46 7.438 -4.536 3.909 1.00 0.00 N ATOM 684 CA SER A 46 8.765 -3.864 3.969 1.00 0.00 C ATOM 685 C SER A 46 8.554 -2.427 4.437 1.00 0.00 C ATOM 686 O SER A 46 8.403 -1.520 3.642 1.00 0.00 O ATOM 687 CB SER A 46 9.411 -3.869 2.578 1.00 0.00 C ATOM 688 OG SER A 46 10.826 -3.904 2.720 1.00 0.00 O ATOM 0 H SER A 46 6.654 -3.916 3.706 1.00 0.00 H new ATOM 0 HA SER A 46 9.422 -4.390 4.661 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.069 -4.733 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.111 -2.981 2.021 1.00 0.00 H new ATOM 0 HG SER A 46 11.244 -3.909 1.833 1.00 0.00 H new ATOM 694 N ILE A 47 8.526 -2.222 5.727 1.00 0.00 N ATOM 695 CA ILE A 47 8.303 -0.850 6.270 1.00 0.00 C ATOM 696 C ILE A 47 9.428 0.077 5.808 1.00 0.00 C ATOM 697 O ILE A 47 9.193 1.056 5.126 1.00 0.00 O ATOM 698 CB ILE A 47 8.261 -0.901 7.799 1.00 0.00 C ATOM 699 CG1 ILE A 47 7.229 -1.962 8.235 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.865 0.485 8.331 1.00 0.00 C ATOM 701 CD1 ILE A 47 7.002 -1.909 9.753 1.00 0.00 C ATOM 0 H ILE A 47 8.649 -2.949 6.431 1.00 0.00 H new ATOM 0 HA ILE A 47 7.352 -0.466 5.901 1.00 0.00 H new ATOM 0 HB ILE A 47 9.238 -1.170 8.201 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.286 -1.794 7.715 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.578 -2.954 7.949 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.832 0.461 9.420 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.599 1.223 8.007 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.883 0.756 7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.271 -2.665 10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.943 -2.101 10.269 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.631 -0.923 10.031 1.00 0.00 H new ATOM 713 N MET A 48 10.649 -0.226 6.169 1.00 0.00 N ATOM 714 CA MET A 48 11.795 0.633 5.748 1.00 0.00 C ATOM 715 C MET A 48 11.973 0.547 4.228 1.00 0.00 C ATOM 716 O MET A 48 12.469 1.464 3.602 1.00 0.00 O ATOM 717 CB MET A 48 13.073 0.153 6.438 1.00 0.00 C ATOM 718 CG MET A 48 14.050 1.324 6.568 1.00 0.00 C ATOM 719 SD MET A 48 15.030 1.134 8.079 1.00 0.00 S ATOM 720 CE MET A 48 16.555 0.562 7.289 1.00 0.00 C ATOM 0 H MET A 48 10.901 -1.034 6.739 1.00 0.00 H new ATOM 0 HA MET A 48 11.594 1.666 6.031 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.838 -0.250 7.423 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.529 -0.653 5.864 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.707 1.361 5.699 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.503 2.266 6.594 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.313 0.379 8.051 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.358 -0.361 6.744 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.913 1.323 6.596 1.00 0.00 H new ATOM 730 N GLY A 49 11.574 -0.551 3.633 1.00 0.00 N ATOM 731 CA GLY A 49 11.721 -0.707 2.155 1.00 0.00 C ATOM 732 C GLY A 49 10.773 0.253 1.428 1.00 0.00 C ATOM 733 O GLY A 49 11.019 0.638 0.300 1.00 0.00 O ATOM 0 H GLY A 49 11.152 -1.347 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.751 -0.506 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.502 -1.735 1.866 1.00 0.00 H new ATOM 737 N VAL A 50 9.691 0.638 2.060 1.00 0.00 N ATOM 738 CA VAL A 50 8.727 1.570 1.403 1.00 0.00 C ATOM 739 C VAL A 50 9.145 3.017 1.679 1.00 0.00 C ATOM 740 O VAL A 50 8.948 3.895 0.860 1.00 0.00 O ATOM 741 CB VAL A 50 7.321 1.322 1.961 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.310 2.212 1.229 1.00 0.00 C ATOM 743 CG2 VAL A 50 6.942 -0.149 1.758 1.00 0.00 C ATOM 0 H VAL A 50 9.435 0.346 3.003 1.00 0.00 H new ATOM 0 HA VAL A 50 8.726 1.396 0.327 1.00 0.00 H new ATOM 0 HB VAL A 50 7.310 1.560 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.312 2.033 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.576 3.259 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.322 1.977 0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.942 -0.325 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.957 -0.385 0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.657 -0.784 2.281 1.00 0.00 H new ATOM 753 N VAL A 51 9.721 3.270 2.827 1.00 0.00 N ATOM 754 CA VAL A 51 10.155 4.658 3.165 1.00 0.00 C ATOM 755 C VAL A 51 11.380 5.040 2.325 1.00 0.00 C ATOM 756 O VAL A 51 11.647 6.207 2.105 1.00 0.00 O ATOM 757 CB VAL A 51 10.510 4.736 4.652 1.00 0.00 C ATOM 758 CG1 VAL A 51 10.813 6.188 5.030 1.00 0.00 C ATOM 759 CG2 VAL A 51 9.329 4.230 5.486 1.00 0.00 C ATOM 0 H VAL A 51 9.910 2.572 3.547 1.00 0.00 H new ATOM 0 HA VAL A 51 9.341 5.350 2.948 1.00 0.00 H new ATOM 0 HB VAL A 51 11.386 4.118 4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.066 6.243 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.653 6.551 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.937 6.806 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.581 4.285 6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.453 4.848 5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.111 3.196 5.218 1.00 0.00 H new ATOM 769 N SER A 52 12.130 4.069 1.857 1.00 0.00 N ATOM 770 CA SER A 52 13.340 4.377 1.033 1.00 0.00 C ATOM 771 C SER A 52 12.931 5.167 -0.214 1.00 0.00 C ATOM 772 O SER A 52 13.610 6.090 -0.623 1.00 0.00 O ATOM 773 CB SER A 52 14.013 3.070 0.610 1.00 0.00 C ATOM 774 OG SER A 52 13.248 2.454 -0.416 1.00 0.00 O ATOM 0 H SER A 52 11.955 3.076 2.011 1.00 0.00 H new ATOM 0 HA SER A 52 14.036 4.973 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.025 3.268 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.100 2.400 1.465 1.00 0.00 H new ATOM 0 HG SER A 52 12.567 1.875 -0.014 1.00 0.00 H new ATOM 780 N LEU A 53 11.822 4.814 -0.816 1.00 0.00 N ATOM 781 CA LEU A 53 11.361 5.544 -2.034 1.00 0.00 C ATOM 782 C LEU A 53 11.048 6.995 -1.663 1.00 0.00 C ATOM 783 O LEU A 53 11.251 7.903 -2.446 1.00 0.00 O ATOM 784 CB LEU A 53 10.101 4.874 -2.589 1.00 0.00 C ATOM 785 CG LEU A 53 10.464 3.511 -3.187 1.00 0.00 C ATOM 786 CD1 LEU A 53 10.150 2.406 -2.175 1.00 0.00 C ATOM 787 CD2 LEU A 53 9.649 3.277 -4.462 1.00 0.00 C ATOM 0 H LEU A 53 11.216 4.051 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 53 12.144 5.520 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.364 4.750 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.646 5.507 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 53 11.527 3.495 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.409 1.437 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.730 2.569 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.087 2.424 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.908 2.307 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.586 3.296 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.872 4.061 -5.186 1.00 0.00 H new ATOM 799 N GLY A 54 10.557 7.214 -0.470 1.00 0.00 N ATOM 800 CA GLY A 54 10.228 8.603 -0.031 1.00 0.00 C ATOM 801 C GLY A 54 9.024 9.123 -0.817 1.00 0.00 C ATOM 802 O GLY A 54 9.115 10.111 -1.523 1.00 0.00 O ATOM 0 H GLY A 54 10.369 6.488 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.009 8.615 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.086 9.257 -0.188 1.00 0.00 H new ATOM 806 N ILE A 55 7.897 8.469 -0.696 1.00 0.00 N ATOM 807 CA ILE A 55 6.679 8.924 -1.430 1.00 0.00 C ATOM 808 C ILE A 55 6.107 10.159 -0.736 1.00 0.00 C ATOM 809 O ILE A 55 6.303 10.361 0.448 1.00 0.00 O ATOM 810 CB ILE A 55 5.633 7.807 -1.442 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.273 6.515 -1.963 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.473 8.207 -2.356 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.268 5.365 -1.870 1.00 0.00 C ATOM 0 H ILE A 55 7.768 7.638 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 55 6.944 9.172 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 55 5.260 7.645 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.593 6.648 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.164 6.279 -1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.727 7.412 -2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.019 9.127 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.846 8.367 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.728 4.449 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.970 5.226 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.390 5.600 -2.471 1.00 0.00 H new ATOM 825 N ALA A 56 5.410 10.989 -1.467 1.00 0.00 N ATOM 826 CA ALA A 56 4.831 12.220 -0.860 1.00 0.00 C ATOM 827 C ALA A 56 3.458 12.504 -1.478 1.00 0.00 C ATOM 828 O ALA A 56 2.984 11.765 -2.320 1.00 0.00 O ATOM 829 CB ALA A 56 5.774 13.396 -1.125 1.00 0.00 C ATOM 0 H ALA A 56 5.217 10.865 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 56 4.712 12.081 0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.358 14.302 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.747 13.189 -0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.889 13.535 -2.200 1.00 0.00 H new ATOM 835 N LYS A 57 2.824 13.570 -1.062 1.00 0.00 N ATOM 836 CA LYS A 57 1.482 13.915 -1.616 1.00 0.00 C ATOM 837 C LYS A 57 1.599 14.185 -3.116 1.00 0.00 C ATOM 838 O LYS A 57 2.507 14.859 -3.565 1.00 0.00 O ATOM 839 CB LYS A 57 0.948 15.160 -0.915 1.00 0.00 C ATOM 840 CG LYS A 57 -0.580 15.111 -0.877 1.00 0.00 C ATOM 841 CD LYS A 57 -1.138 16.534 -0.946 1.00 0.00 C ATOM 842 CE LYS A 57 -0.995 17.071 -2.371 1.00 0.00 C ATOM 843 NZ LYS A 57 -1.109 18.556 -2.356 1.00 0.00 N ATOM 0 H LYS A 57 3.180 14.218 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 57 0.798 13.082 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.345 15.218 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.280 16.056 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.956 14.520 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.916 14.621 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.186 16.539 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.605 17.179 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.033 16.774 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.766 16.643 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.012 18.921 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.037 18.829 -1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.358 18.956 -1.758 1.00 0.00 H new ATOM 857 N GLY A 58 0.683 13.663 -3.894 1.00 0.00 N ATOM 858 CA GLY A 58 0.732 13.883 -5.370 1.00 0.00 C ATOM 859 C GLY A 58 1.536 12.762 -6.028 1.00 0.00 C ATOM 860 O GLY A 58 2.509 13.006 -6.716 1.00 0.00 O ATOM 0 H GLY A 58 -0.098 13.093 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.278 13.908 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.188 14.848 -5.589 1.00 0.00 H new ATOM 864 N ALA A 59 1.134 11.532 -5.822 1.00 0.00 N ATOM 865 CA ALA A 59 1.870 10.386 -6.432 1.00 0.00 C ATOM 866 C ALA A 59 0.882 9.270 -6.782 1.00 0.00 C ATOM 867 O ALA A 59 -0.311 9.400 -6.581 1.00 0.00 O ATOM 868 CB ALA A 59 2.906 9.857 -5.437 1.00 0.00 C ATOM 0 H ALA A 59 0.326 11.274 -5.256 1.00 0.00 H new ATOM 0 HA ALA A 59 2.374 10.721 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.444 9.020 -5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.611 10.651 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.402 9.523 -4.530 1.00 0.00 H new ATOM 874 N GLU A 60 1.375 8.174 -7.302 1.00 0.00 N ATOM 875 CA GLU A 60 0.476 7.041 -7.670 1.00 0.00 C ATOM 876 C GLU A 60 1.110 5.724 -7.214 1.00 0.00 C ATOM 877 O GLU A 60 2.302 5.647 -6.991 1.00 0.00 O ATOM 878 CB GLU A 60 0.282 7.013 -9.187 1.00 0.00 C ATOM 879 CG GLU A 60 -0.192 8.386 -9.669 1.00 0.00 C ATOM 880 CD GLU A 60 1.021 9.248 -10.025 1.00 0.00 C ATOM 881 OE1 GLU A 60 1.891 8.753 -10.722 1.00 0.00 O ATOM 882 OE2 GLU A 60 1.059 10.389 -9.593 1.00 0.00 O ATOM 0 H GLU A 60 2.365 8.016 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.491 7.171 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.218 6.747 -9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.448 6.250 -9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.840 8.274 -10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.782 8.872 -8.892 1.00 0.00 H new ATOM 889 N ILE A 61 0.319 4.690 -7.074 1.00 0.00 N ATOM 890 CA ILE A 61 0.871 3.373 -6.634 1.00 0.00 C ATOM 891 C ILE A 61 0.028 2.242 -7.228 1.00 0.00 C ATOM 892 O ILE A 61 -1.185 2.323 -7.279 1.00 0.00 O ATOM 893 CB ILE A 61 0.845 3.291 -5.104 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.562 3.636 -4.594 1.00 0.00 C ATOM 895 CG2 ILE A 61 1.858 4.282 -4.527 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.613 3.494 -3.068 1.00 0.00 C ATOM 0 H ILE A 61 -0.686 4.701 -7.246 1.00 0.00 H new ATOM 0 HA ILE A 61 1.900 3.275 -6.981 1.00 0.00 H new ATOM 0 HB ILE A 61 1.104 2.280 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.823 4.654 -4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.297 2.976 -5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.842 4.226 -3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.856 4.034 -4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.599 5.293 -4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.614 3.740 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.371 2.468 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.110 4.173 -2.615 1.00 0.00 H new ATOM 908 N THR A 62 0.665 1.191 -7.681 1.00 0.00 N ATOM 909 CA THR A 62 -0.090 0.050 -8.281 1.00 0.00 C ATOM 910 C THR A 62 0.098 -1.202 -7.421 1.00 0.00 C ATOM 911 O THR A 62 1.143 -1.823 -7.433 1.00 0.00 O ATOM 912 CB THR A 62 0.431 -0.219 -9.694 1.00 0.00 C ATOM 913 OG1 THR A 62 0.829 1.007 -10.291 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.673 -0.862 -10.533 1.00 0.00 C ATOM 0 H THR A 62 1.678 1.075 -7.661 1.00 0.00 H new ATOM 0 HA THR A 62 -1.150 0.302 -8.325 1.00 0.00 H new ATOM 0 HB THR A 62 1.285 -0.894 -9.644 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.165 0.836 -11.196 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.301 -1.053 -11.539 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.978 -1.803 -10.074 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.529 -0.189 -10.585 1.00 0.00 H new ATOM 922 N ILE A 63 -0.913 -1.574 -6.679 1.00 0.00 N ATOM 923 CA ILE A 63 -0.812 -2.785 -5.812 1.00 0.00 C ATOM 924 C ILE A 63 -1.331 -4.004 -6.587 1.00 0.00 C ATOM 925 O ILE A 63 -2.212 -3.894 -7.418 1.00 0.00 O ATOM 926 CB ILE A 63 -1.649 -2.557 -4.543 1.00 0.00 C ATOM 927 CG1 ILE A 63 -1.014 -1.429 -3.724 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.699 -3.834 -3.693 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.910 -1.087 -2.533 1.00 0.00 C ATOM 0 H ILE A 63 -1.809 -1.088 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 63 0.225 -2.965 -5.528 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.665 -2.289 -4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.027 -1.732 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.873 -0.548 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.296 -3.653 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.149 -4.640 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.687 -4.118 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.454 -0.284 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.887 -0.765 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.028 -1.968 -1.902 1.00 0.00 H new ATOM 941 N SER A 64 -0.787 -5.166 -6.312 1.00 0.00 N ATOM 942 CA SER A 64 -1.241 -6.397 -7.022 1.00 0.00 C ATOM 943 C SER A 64 -1.060 -7.613 -6.110 1.00 0.00 C ATOM 944 O SER A 64 0.049 -8.001 -5.792 1.00 0.00 O ATOM 945 CB SER A 64 -0.416 -6.587 -8.294 1.00 0.00 C ATOM 946 OG SER A 64 0.949 -6.299 -8.016 1.00 0.00 O ATOM 0 H SER A 64 -0.047 -5.312 -5.625 1.00 0.00 H new ATOM 0 HA SER A 64 -2.294 -6.295 -7.284 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.517 -7.610 -8.658 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.785 -5.931 -9.082 1.00 0.00 H new ATOM 0 HG SER A 64 1.207 -6.721 -7.170 1.00 0.00 H new ATOM 952 N ALA A 65 -2.143 -8.217 -5.691 1.00 0.00 N ATOM 953 CA ALA A 65 -2.047 -9.413 -4.803 1.00 0.00 C ATOM 954 C ALA A 65 -1.991 -10.676 -5.667 1.00 0.00 C ATOM 955 O ALA A 65 -2.750 -10.826 -6.606 1.00 0.00 O ATOM 956 CB ALA A 65 -3.278 -9.469 -3.895 1.00 0.00 C ATOM 0 H ALA A 65 -3.093 -7.931 -5.927 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.147 -9.348 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.211 -10.341 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.323 -8.566 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.178 -9.540 -4.506 1.00 0.00 H new ATOM 962 N SER A 66 -1.097 -11.584 -5.360 1.00 0.00 N ATOM 963 CA SER A 66 -0.990 -12.838 -6.166 1.00 0.00 C ATOM 964 C SER A 66 -0.872 -14.045 -5.230 1.00 0.00 C ATOM 965 O SER A 66 0.169 -14.289 -4.649 1.00 0.00 O ATOM 966 CB SER A 66 0.245 -12.755 -7.069 1.00 0.00 C ATOM 967 OG SER A 66 -0.166 -12.815 -8.429 1.00 0.00 O ATOM 0 H SER A 66 -0.437 -11.510 -4.586 1.00 0.00 H new ATOM 0 HA SER A 66 -1.882 -12.954 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.786 -11.828 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.929 -13.574 -6.847 1.00 0.00 H new ATOM 0 HG SER A 66 0.620 -12.761 -9.011 1.00 0.00 H new ATOM 973 N GLY A 67 -1.931 -14.802 -5.084 1.00 0.00 N ATOM 974 CA GLY A 67 -1.888 -15.996 -4.189 1.00 0.00 C ATOM 975 C GLY A 67 -3.289 -16.600 -4.067 1.00 0.00 C ATOM 976 O GLY A 67 -4.060 -16.590 -5.008 1.00 0.00 O ATOM 0 H GLY A 67 -2.825 -14.643 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.196 -16.737 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.517 -15.711 -3.204 1.00 0.00 H new ATOM 980 N ALA A 68 -3.619 -17.125 -2.915 1.00 0.00 N ATOM 981 CA ALA A 68 -4.969 -17.734 -2.721 1.00 0.00 C ATOM 982 C ALA A 68 -5.990 -16.634 -2.425 1.00 0.00 C ATOM 983 O ALA A 68 -6.955 -16.464 -3.145 1.00 0.00 O ATOM 984 CB ALA A 68 -4.922 -18.714 -1.547 1.00 0.00 C ATOM 0 H ALA A 68 -3.010 -17.158 -2.098 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.260 -18.265 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.907 -19.159 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.196 -19.499 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.630 -18.183 -0.641 1.00 0.00 H new ATOM 990 N ASP A 69 -5.783 -15.890 -1.369 1.00 0.00 N ATOM 991 CA ASP A 69 -6.738 -14.797 -1.018 1.00 0.00 C ATOM 992 C ASP A 69 -6.217 -13.466 -1.569 1.00 0.00 C ATOM 993 O ASP A 69 -6.267 -12.446 -0.908 1.00 0.00 O ATOM 994 CB ASP A 69 -6.881 -14.706 0.507 1.00 0.00 C ATOM 995 CG ASP A 69 -5.497 -14.605 1.154 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.699 -13.814 0.682 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.261 -15.322 2.113 1.00 0.00 O ATOM 0 H ASP A 69 -4.992 -15.993 -0.733 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.712 -15.013 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.481 -13.836 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.406 -15.583 0.885 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.716 -13.475 -2.779 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.186 -12.218 -3.389 1.00 0.00 C ATOM 1004 C GLU A 70 -6.314 -11.192 -3.519 1.00 0.00 C ATOM 1005 O GLU A 70 -6.094 -10.000 -3.406 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.605 -12.520 -4.777 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.609 -13.334 -5.602 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.208 -13.299 -7.080 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.020 -13.245 -7.351 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -6.096 -13.329 -7.914 1.00 0.00 O ATOM 0 H GLU A 70 -5.651 -14.302 -3.372 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.401 -11.814 -2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.370 -11.589 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.671 -13.073 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.637 -14.364 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.612 -12.927 -5.477 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.519 -11.646 -3.750 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.666 -10.703 -3.885 1.00 0.00 C ATOM 1019 C ASN A 71 -9.011 -10.121 -2.514 1.00 0.00 C ATOM 1020 O ASN A 71 -9.139 -8.924 -2.353 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.881 -11.452 -4.440 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.597 -11.912 -5.874 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -8.459 -11.957 -6.299 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -10.593 -12.261 -6.641 1.00 0.00 N ATOM 0 H ASN A 71 -7.757 -12.633 -3.851 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.394 -9.896 -4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.108 -12.312 -3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.758 -10.805 -4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.416 -12.571 -7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.548 -12.224 -6.285 1.00 0.00 H new ATOM 1031 N ASP A 72 -9.164 -10.963 -1.528 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.504 -10.474 -0.158 1.00 0.00 C ATOM 1033 C ASP A 72 -8.387 -9.565 0.377 1.00 0.00 C ATOM 1034 O ASP A 72 -8.603 -8.775 1.278 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.671 -11.673 0.777 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.817 -12.556 0.274 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.847 -12.008 -0.081 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -10.642 -13.763 0.254 1.00 0.00 O ATOM 0 H ASP A 72 -9.068 -11.975 -1.612 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.432 -9.904 -0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.746 -12.248 0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.879 -11.331 1.791 1.00 0.00 H new ATOM 1043 N ALA A 73 -7.194 -9.686 -0.153 1.00 0.00 N ATOM 1044 CA ALA A 73 -6.059 -8.851 0.347 1.00 0.00 C ATOM 1045 C ALA A 73 -6.113 -7.428 -0.222 1.00 0.00 C ATOM 1046 O ALA A 73 -6.025 -6.464 0.517 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.737 -9.503 -0.058 1.00 0.00 C ATOM 0 H ALA A 73 -6.958 -10.327 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.138 -8.787 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.906 -8.897 0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.675 -10.501 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.685 -9.576 -1.144 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.223 -7.278 -1.523 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.240 -5.901 -2.118 1.00 0.00 C ATOM 1055 C LEU A 74 -7.363 -5.056 -1.504 1.00 0.00 C ATOM 1056 O LEU A 74 -7.165 -3.895 -1.198 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.398 -5.978 -3.646 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.765 -6.551 -4.030 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.796 -5.416 -4.134 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.650 -7.267 -5.379 1.00 0.00 C ATOM 0 H LEU A 74 -6.301 -8.043 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.289 -5.419 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.283 -4.984 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.608 -6.601 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.090 -7.257 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.767 -5.830 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.876 -4.908 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.478 -4.704 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.621 -7.677 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.324 -6.558 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.923 -8.076 -5.301 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.534 -5.619 -1.317 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.646 -4.821 -0.716 1.00 0.00 C ATOM 1074 C ASN A 75 -9.358 -4.601 0.770 1.00 0.00 C ATOM 1075 O ASN A 75 -9.793 -3.626 1.352 1.00 0.00 O ATOM 1076 CB ASN A 75 -10.990 -5.538 -0.892 1.00 0.00 C ATOM 1077 CG ASN A 75 -10.938 -6.928 -0.262 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.898 -7.914 -0.961 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -10.958 -7.049 1.038 1.00 0.00 N ATOM 0 H ASN A 75 -8.764 -6.584 -1.552 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.708 -3.860 -1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.785 -4.952 -0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.229 -5.621 -1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.940 -7.975 1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.992 -6.217 1.627 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.618 -5.494 1.389 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.290 -5.325 2.838 1.00 0.00 C ATOM 1088 C ALA A 76 -7.518 -4.016 3.029 1.00 0.00 C ATOM 1089 O ALA A 76 -7.965 -3.119 3.717 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.427 -6.498 3.306 1.00 0.00 C ATOM 0 H ALA A 76 -8.229 -6.330 0.952 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.210 -5.298 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.188 -6.375 4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.973 -7.431 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.505 -6.525 2.726 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.366 -3.900 2.416 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.565 -2.649 2.548 1.00 0.00 C ATOM 1098 C LEU A 77 -6.367 -1.458 2.011 1.00 0.00 C ATOM 1099 O LEU A 77 -6.151 -0.332 2.410 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.269 -2.792 1.749 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.519 -4.058 2.203 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.426 -5.052 1.043 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.109 -3.682 2.657 1.00 0.00 C ATOM 0 H LEU A 77 -5.947 -4.621 1.829 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.332 -2.479 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.491 -2.851 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.641 -1.913 1.895 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.062 -4.516 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.894 -5.945 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.429 -5.326 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.888 -4.594 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.579 -4.579 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.571 -3.220 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.170 -2.979 3.488 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.285 -1.698 1.105 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.100 -0.579 0.539 1.00 0.00 C ATOM 1117 C GLU A 78 -8.891 0.113 1.660 1.00 0.00 C ATOM 1118 O GLU A 78 -8.808 1.315 1.829 1.00 0.00 O ATOM 1119 CB GLU A 78 -9.066 -1.139 -0.513 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.894 -0.002 -1.127 1.00 0.00 C ATOM 1121 CD GLU A 78 -10.049 -0.229 -2.633 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -9.108 -0.710 -3.241 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -11.108 0.082 -3.152 1.00 0.00 O ATOM 0 H GLU A 78 -7.504 -2.622 0.733 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.439 0.152 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.507 -1.655 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.727 -1.875 -0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.875 0.043 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.407 0.956 -0.942 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.662 -0.631 2.419 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.460 -0.006 3.518 1.00 0.00 C ATOM 1132 C GLU A 79 -9.517 0.641 4.538 1.00 0.00 C ATOM 1133 O GLU A 79 -9.875 1.596 5.201 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.336 -1.066 4.203 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.462 -2.185 4.787 1.00 0.00 C ATOM 1136 CD GLU A 79 -10.928 -2.515 6.208 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -10.845 -1.641 7.055 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.357 -3.637 6.425 1.00 0.00 O ATOM 0 H GLU A 79 -9.772 -1.641 2.324 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.108 0.762 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.924 -0.604 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.041 -1.484 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.523 -3.073 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.417 -1.875 4.799 1.00 0.00 H new ATOM 1145 N THR A 80 -8.311 0.139 4.659 1.00 0.00 N ATOM 1146 CA THR A 80 -7.343 0.737 5.623 1.00 0.00 C ATOM 1147 C THR A 80 -6.948 2.122 5.112 1.00 0.00 C ATOM 1148 O THR A 80 -6.729 3.043 5.876 1.00 0.00 O ATOM 1149 CB THR A 80 -6.099 -0.151 5.720 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.489 -1.473 6.067 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.154 0.402 6.790 1.00 0.00 C ATOM 0 H THR A 80 -7.958 -0.659 4.130 1.00 0.00 H new ATOM 0 HA THR A 80 -7.797 0.817 6.611 1.00 0.00 H new ATOM 0 HB THR A 80 -5.586 -0.163 4.758 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.914 -1.902 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.270 -0.232 6.857 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.855 1.415 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.664 0.417 7.753 1.00 0.00 H new ATOM 1159 N MET A 81 -6.870 2.269 3.816 1.00 0.00 N ATOM 1160 CA MET A 81 -6.506 3.583 3.217 1.00 0.00 C ATOM 1161 C MET A 81 -7.678 4.551 3.396 1.00 0.00 C ATOM 1162 O MET A 81 -7.494 5.746 3.539 1.00 0.00 O ATOM 1163 CB MET A 81 -6.223 3.389 1.724 1.00 0.00 C ATOM 1164 CG MET A 81 -4.884 2.666 1.541 1.00 0.00 C ATOM 1165 SD MET A 81 -3.577 3.869 1.179 1.00 0.00 S ATOM 1166 CE MET A 81 -2.355 2.693 0.548 1.00 0.00 C ATOM 0 H MET A 81 -7.045 1.525 3.141 1.00 0.00 H new ATOM 0 HA MET A 81 -5.620 3.987 3.706 1.00 0.00 H new ATOM 0 HB2 MET A 81 -7.025 2.811 1.264 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.197 4.355 1.220 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.636 2.107 2.444 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.959 1.943 0.729 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.355 3.112 0.660 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.423 1.761 1.110 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.550 2.496 -0.506 1.00 0.00 H new ATOM 1176 N LYS A 82 -8.881 4.037 3.386 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.081 4.906 3.552 1.00 0.00 C ATOM 1178 C LYS A 82 -10.473 5.009 5.035 1.00 0.00 C ATOM 1179 O LYS A 82 -11.364 5.759 5.389 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.245 4.303 2.763 1.00 0.00 C ATOM 1181 CG LYS A 82 -10.861 4.200 1.286 1.00 0.00 C ATOM 1182 CD LYS A 82 -12.062 3.704 0.479 1.00 0.00 C ATOM 1183 CE LYS A 82 -11.983 4.257 -0.945 1.00 0.00 C ATOM 1184 NZ LYS A 82 -13.286 4.044 -1.634 1.00 0.00 N ATOM 0 H LYS A 82 -9.083 3.044 3.269 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.850 5.905 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.492 3.316 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.135 4.923 2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.537 5.172 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.021 3.516 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.074 2.614 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.990 4.024 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.742 5.320 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.183 3.761 -1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.232 4.420 -2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.498 3.026 -1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.039 4.537 -1.113 1.00 0.00 H new ATOM 1198 N SER A 83 -9.827 4.264 5.905 1.00 0.00 N ATOM 1199 CA SER A 83 -10.177 4.326 7.355 1.00 0.00 C ATOM 1200 C SER A 83 -9.565 5.581 7.980 1.00 0.00 C ATOM 1201 O SER A 83 -10.240 6.340 8.650 1.00 0.00 O ATOM 1202 CB SER A 83 -9.633 3.086 8.064 1.00 0.00 C ATOM 1203 OG SER A 83 -8.220 3.188 8.172 1.00 0.00 O ATOM 0 H SER A 83 -9.074 3.618 5.669 1.00 0.00 H new ATOM 0 HA SER A 83 -11.261 4.361 7.463 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.079 2.994 9.054 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.903 2.188 7.508 1.00 0.00 H new ATOM 0 HG SER A 83 -7.818 3.119 7.281 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.293 5.802 7.767 1.00 0.00 N ATOM 1210 CA GLU A 84 -7.629 7.005 8.349 1.00 0.00 C ATOM 1211 C GLU A 84 -7.549 8.107 7.292 1.00 0.00 C ATOM 1212 O GLU A 84 -8.077 9.190 7.471 1.00 0.00 O ATOM 1213 CB GLU A 84 -6.217 6.636 8.809 1.00 0.00 C ATOM 1214 CG GLU A 84 -6.266 6.130 10.252 1.00 0.00 C ATOM 1215 CD GLU A 84 -6.391 4.606 10.256 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -5.758 3.977 9.424 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -7.119 4.093 11.090 1.00 0.00 O ATOM 0 H GLU A 84 -7.685 5.199 7.213 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.208 7.362 9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.800 5.868 8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.562 7.504 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.365 6.433 10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.111 6.576 10.776 1.00 0.00 H new ATOM 1224 N GLY A 85 -6.894 7.838 6.192 1.00 0.00 N ATOM 1225 CA GLY A 85 -6.770 8.864 5.115 1.00 0.00 C ATOM 1226 C GLY A 85 -5.356 8.824 4.536 1.00 0.00 C ATOM 1227 O GLY A 85 -4.574 9.736 4.723 1.00 0.00 O ATOM 0 H GLY A 85 -6.438 6.948 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.502 8.673 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.983 9.855 5.515 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.026 7.770 3.834 1.00 0.00 N ATOM 1232 CA LEU A 86 -3.663 7.658 3.238 1.00 0.00 C ATOM 1233 C LEU A 86 -3.752 7.807 1.718 1.00 0.00 C ATOM 1234 O LEU A 86 -3.033 8.586 1.121 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.070 6.291 3.584 1.00 0.00 C ATOM 1236 CG LEU A 86 -2.833 6.205 5.093 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.354 4.800 5.451 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -1.766 7.223 5.505 1.00 0.00 C ATOM 0 H LEU A 86 -5.645 6.981 3.648 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.025 8.445 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.747 5.498 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.132 6.144 3.049 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.763 6.421 5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.184 4.736 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.111 4.072 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.424 4.587 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.599 7.160 6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.835 7.007 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.103 8.227 5.249 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.629 7.065 1.090 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.772 7.159 -0.393 1.00 0.00 C ATOM 1252 C GLY A 87 -6.192 6.757 -0.798 1.00 0.00 C ATOM 1253 O GLY A 87 -6.855 6.011 -0.103 1.00 0.00 O ATOM 0 H GLY A 87 -5.253 6.397 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.562 8.176 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.046 6.508 -0.881 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.660 7.247 -1.917 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.037 6.899 -2.375 1.00 0.00 C ATOM 1259 C GLU A 88 -8.050 6.773 -3.899 1.00 0.00 C ATOM 1260 O GLU A 88 -8.832 5.982 -4.403 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.010 7.998 -1.946 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.500 9.355 -2.434 1.00 0.00 C ATOM 1263 CD GLU A 88 -9.556 10.427 -2.155 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -9.565 10.951 -1.054 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -10.339 10.704 -3.048 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.277 7.469 -4.539 1.00 0.00 O ATOM 0 H GLU A 88 -6.146 7.875 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.340 5.952 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.000 7.801 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.111 8.005 -0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.567 9.608 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.283 9.312 -3.501 1.00 0.00 H new TER 1273 GLU A 88