USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 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 Set 1.1: A 12 SER OG : rot 180:sc= 0.00531 USER MOD Set 1.2: A 15 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-1.8) USER MOD Single : A 3 GLN : amide:sc= -0.0576 K(o=-0.058,f=-0.83) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 71:sc= 1.08 USER MOD Single : A 24 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.5!) USER MOD Single : A 25 THR OG1 : rot 85:sc= 0.479 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.6 USER MOD Single : A 34 ASN : amide:sc= -1.61 K(o=-1.6,f=-9.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 38 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.4!) 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= -0.538 K(o=-0.54,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -0.055 (180deg=-0.437) 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 -57:sc= 0.849 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 8:sc= 0.814! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.57 K(o=-5.6,f=-19!) USER MOD Single : A 80 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.343) USER MOD Single : A 83 SER OG : rot -50:sc= 0.499 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 11.004 -2.471 10.029 1.00 0.00 N ATOM 2 CA ALA A 2 10.808 -1.488 8.923 1.00 0.00 C ATOM 3 C ALA A 2 9.313 -1.337 8.633 1.00 0.00 C ATOM 4 O ALA A 2 8.589 -2.311 8.549 1.00 0.00 O ATOM 5 CB ALA A 2 11.523 -1.989 7.666 1.00 0.00 C ATOM 0 HA ALA A 2 11.220 -0.522 9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.381 -1.273 6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.588 -2.098 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.110 -2.954 7.373 1.00 0.00 H new ATOM 11 N GLN A 3 8.850 -0.123 8.481 1.00 0.00 N ATOM 12 CA GLN A 3 7.402 0.103 8.198 1.00 0.00 C ATOM 13 C GLN A 3 7.150 1.599 7.996 1.00 0.00 C ATOM 14 O GLN A 3 8.073 2.390 7.939 1.00 0.00 O ATOM 15 CB GLN A 3 6.567 -0.403 9.377 1.00 0.00 C ATOM 16 CG GLN A 3 7.055 0.252 10.671 1.00 0.00 C ATOM 17 CD GLN A 3 5.868 0.483 11.608 1.00 0.00 C ATOM 18 OE1 GLN A 3 4.883 -0.225 11.544 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.921 1.451 12.482 1.00 0.00 N ATOM 0 H GLN A 3 9.415 0.724 8.541 1.00 0.00 H new ATOM 0 HA GLN A 3 7.118 -0.438 7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.514 -0.172 9.215 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.647 -1.487 9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.796 -0.384 11.156 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.545 1.200 10.448 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.748 2.045 12.535 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.135 1.613 13.112 1.00 0.00 H new ATOM 28 N LYS A 4 5.906 1.989 7.888 1.00 0.00 N ATOM 29 CA LYS A 4 5.581 3.432 7.690 1.00 0.00 C ATOM 30 C LYS A 4 4.059 3.605 7.690 1.00 0.00 C ATOM 31 O LYS A 4 3.320 2.655 7.865 1.00 0.00 O ATOM 32 CB LYS A 4 6.163 3.904 6.347 1.00 0.00 C ATOM 33 CG LYS A 4 7.093 5.101 6.573 1.00 0.00 C ATOM 34 CD LYS A 4 6.334 6.401 6.300 1.00 0.00 C ATOM 35 CE LYS A 4 7.293 7.439 5.712 1.00 0.00 C ATOM 36 NZ LYS A 4 7.965 8.178 6.817 1.00 0.00 N ATOM 0 H LYS A 4 5.099 1.367 7.929 1.00 0.00 H new ATOM 0 HA LYS A 4 6.013 4.027 8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.712 3.090 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.356 4.182 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.467 5.095 7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.960 5.030 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.512 6.216 5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.894 6.778 7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.036 6.948 5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.747 8.134 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.617 8.883 6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.249 8.658 7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.499 7.509 7.408 1.00 0.00 H new ATOM 50 N THR A 5 3.590 4.811 7.494 1.00 0.00 N ATOM 51 CA THR A 5 2.118 5.052 7.480 1.00 0.00 C ATOM 52 C THR A 5 1.780 6.067 6.386 1.00 0.00 C ATOM 53 O THR A 5 2.569 6.940 6.076 1.00 0.00 O ATOM 54 CB THR A 5 1.678 5.602 8.840 1.00 0.00 C ATOM 55 OG1 THR A 5 2.228 4.798 9.873 1.00 0.00 O ATOM 56 CG2 THR A 5 0.152 5.581 8.930 1.00 0.00 C ATOM 0 H THR A 5 4.165 5.640 7.343 1.00 0.00 H new ATOM 0 HA THR A 5 1.597 4.115 7.282 1.00 0.00 H new ATOM 0 HB THR A 5 2.031 6.627 8.951 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.949 5.149 10.744 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.161 5.972 9.898 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.268 6.199 8.136 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.205 4.557 8.820 1.00 0.00 H new ATOM 64 N PHE A 6 0.615 5.955 5.799 1.00 0.00 N ATOM 65 CA PHE A 6 0.221 6.909 4.722 1.00 0.00 C ATOM 66 C PHE A 6 -1.240 7.319 4.909 1.00 0.00 C ATOM 67 O PHE A 6 -2.059 6.542 5.362 1.00 0.00 O ATOM 68 CB PHE A 6 0.386 6.234 3.358 1.00 0.00 C ATOM 69 CG PHE A 6 1.844 5.923 3.122 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.435 4.817 3.744 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.604 6.740 2.278 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.787 4.529 3.523 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.956 6.453 2.057 1.00 0.00 C ATOM 74 CZ PHE A 6 4.548 5.347 2.679 1.00 0.00 C ATOM 0 H PHE A 6 -0.080 5.242 6.021 1.00 0.00 H new ATOM 0 HA PHE A 6 0.856 7.793 4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.203 5.317 3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.010 6.887 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.848 4.186 4.395 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.147 7.592 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.243 3.676 4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.543 7.085 1.407 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.591 5.125 2.508 1.00 0.00 H new ATOM 84 N LYS A 7 -1.571 8.536 4.556 1.00 0.00 N ATOM 85 CA LYS A 7 -2.978 9.008 4.705 1.00 0.00 C ATOM 86 C LYS A 7 -3.647 9.044 3.327 1.00 0.00 C ATOM 87 O LYS A 7 -3.322 9.866 2.492 1.00 0.00 O ATOM 88 CB LYS A 7 -2.983 10.413 5.318 1.00 0.00 C ATOM 89 CG LYS A 7 -3.288 10.319 6.815 1.00 0.00 C ATOM 90 CD LYS A 7 -4.801 10.375 7.030 1.00 0.00 C ATOM 91 CE LYS A 7 -5.097 10.791 8.473 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.559 11.033 8.628 1.00 0.00 N ATOM 0 H LYS A 7 -0.924 9.224 4.170 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.526 8.329 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.016 10.892 5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.729 11.034 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.886 9.391 7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.803 11.137 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.252 11.085 6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.245 9.401 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.771 10.012 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.539 11.693 8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.762 11.316 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.856 11.791 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.081 10.162 8.404 1.00 0.00 H new ATOM 106 N VAL A 8 -4.576 8.154 3.090 1.00 0.00 N ATOM 107 CA VAL A 8 -5.273 8.124 1.770 1.00 0.00 C ATOM 108 C VAL A 8 -6.239 9.308 1.678 1.00 0.00 C ATOM 109 O VAL A 8 -7.199 9.395 2.419 1.00 0.00 O ATOM 110 CB VAL A 8 -6.057 6.815 1.637 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.624 6.700 0.221 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.124 5.632 1.909 1.00 0.00 C ATOM 0 H VAL A 8 -4.882 7.445 3.756 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.538 8.190 0.968 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.875 6.808 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.182 5.768 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.288 7.542 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.807 6.708 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.681 4.700 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.306 5.640 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.719 5.712 2.918 1.00 0.00 H new ATOM 122 N THR A 9 -5.987 10.222 0.773 1.00 0.00 N ATOM 123 CA THR A 9 -6.883 11.408 0.627 1.00 0.00 C ATOM 124 C THR A 9 -7.568 11.385 -0.746 1.00 0.00 C ATOM 125 O THR A 9 -8.030 12.403 -1.228 1.00 0.00 O ATOM 126 CB THR A 9 -6.053 12.685 0.752 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.140 12.550 1.832 1.00 0.00 O ATOM 128 CG2 THR A 9 -6.978 13.877 1.007 1.00 0.00 C ATOM 0 H THR A 9 -5.197 10.196 0.128 1.00 0.00 H new ATOM 0 HA THR A 9 -7.643 11.379 1.408 1.00 0.00 H new ATOM 0 HB THR A 9 -5.500 12.851 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.606 13.367 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.384 14.786 1.096 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.677 13.980 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.534 13.715 1.931 1.00 0.00 H new ATOM 136 N ALA A 10 -7.641 10.238 -1.378 1.00 0.00 N ATOM 137 CA ALA A 10 -8.297 10.155 -2.715 1.00 0.00 C ATOM 138 C ALA A 10 -9.816 10.212 -2.540 1.00 0.00 C ATOM 139 O ALA A 10 -10.370 9.568 -1.671 1.00 0.00 O ATOM 140 CB ALA A 10 -7.911 8.838 -3.391 1.00 0.00 C ATOM 0 H ALA A 10 -7.273 9.356 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.970 10.991 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.390 8.777 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.829 8.796 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.239 8.002 -2.773 1.00 0.00 H new ATOM 146 N ASP A 11 -10.489 10.980 -3.361 1.00 0.00 N ATOM 147 CA ASP A 11 -11.977 11.090 -3.248 1.00 0.00 C ATOM 148 C ASP A 11 -12.622 9.703 -3.382 1.00 0.00 C ATOM 149 O ASP A 11 -13.696 9.458 -2.867 1.00 0.00 O ATOM 150 CB ASP A 11 -12.510 12.019 -4.349 1.00 0.00 C ATOM 151 CG ASP A 11 -12.162 11.462 -5.735 1.00 0.00 C ATOM 152 OD1 ASP A 11 -11.151 10.789 -5.848 1.00 0.00 O ATOM 153 OD2 ASP A 11 -12.915 11.719 -6.659 1.00 0.00 O ATOM 0 H ASP A 11 -10.071 11.537 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.229 11.503 -2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.591 12.124 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.082 13.014 -4.232 1.00 0.00 H new ATOM 158 N SER A 12 -11.969 8.797 -4.068 1.00 0.00 N ATOM 159 CA SER A 12 -12.536 7.426 -4.236 1.00 0.00 C ATOM 160 C SER A 12 -11.894 6.481 -3.217 1.00 0.00 C ATOM 161 O SER A 12 -12.499 5.516 -2.790 1.00 0.00 O ATOM 162 CB SER A 12 -12.244 6.924 -5.651 1.00 0.00 C ATOM 163 OG SER A 12 -10.873 7.149 -5.955 1.00 0.00 O ATOM 0 H SER A 12 -11.067 8.950 -4.519 1.00 0.00 H new ATOM 0 HA SER A 12 -13.614 7.456 -4.076 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.476 5.862 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.878 7.441 -6.371 1.00 0.00 H new ATOM 0 HG SER A 12 -10.682 6.827 -6.861 1.00 0.00 H new ATOM 169 N GLY A 13 -10.674 6.754 -2.827 1.00 0.00 N ATOM 170 CA GLY A 13 -9.985 5.879 -1.837 1.00 0.00 C ATOM 171 C GLY A 13 -8.979 4.982 -2.560 1.00 0.00 C ATOM 172 O GLY A 13 -8.207 5.439 -3.381 1.00 0.00 O ATOM 0 H GLY A 13 -10.126 7.549 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.474 6.488 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.715 5.269 -1.305 1.00 0.00 H new ATOM 176 N ILE A 14 -8.985 3.709 -2.257 1.00 0.00 N ATOM 177 CA ILE A 14 -8.030 2.772 -2.921 1.00 0.00 C ATOM 178 C ILE A 14 -8.807 1.612 -3.549 1.00 0.00 C ATOM 179 O ILE A 14 -9.363 0.779 -2.856 1.00 0.00 O ATOM 180 CB ILE A 14 -7.046 2.233 -1.880 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.361 3.407 -1.178 1.00 0.00 C ATOM 182 CG2 ILE A 14 -5.989 1.368 -2.570 1.00 0.00 C ATOM 183 CD1 ILE A 14 -5.539 2.889 0.004 1.00 0.00 C ATOM 0 H ILE A 14 -9.611 3.278 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.480 3.299 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.585 1.630 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.715 3.936 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.107 4.121 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.290 0.986 -1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.475 0.533 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.448 1.969 -3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.052 3.727 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.196 2.379 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.783 2.192 -0.356 1.00 0.00 H new ATOM 195 N HIS A 15 -8.850 1.555 -4.856 1.00 0.00 N ATOM 196 CA HIS A 15 -9.592 0.454 -5.540 1.00 0.00 C ATOM 197 C HIS A 15 -8.643 -0.285 -6.521 1.00 0.00 C ATOM 198 O HIS A 15 -7.604 -0.768 -6.107 1.00 0.00 O ATOM 199 CB HIS A 15 -10.836 1.034 -6.245 1.00 0.00 C ATOM 200 CG HIS A 15 -10.466 2.263 -7.037 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.438 2.276 -8.423 1.00 0.00 N ATOM 202 CD2 HIS A 15 -10.112 3.530 -6.645 1.00 0.00 C ATOM 203 CE1 HIS A 15 -10.078 3.513 -8.808 1.00 0.00 C ATOM 204 NE2 HIS A 15 -9.868 4.317 -7.765 1.00 0.00 N ATOM 0 H HIS A 15 -8.402 2.226 -5.480 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.940 -0.280 -4.813 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.270 0.284 -6.907 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.597 1.285 -5.506 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.035 3.865 -5.621 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.972 3.819 -9.838 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.589 5.298 -7.785 1.00 0.00 H new ATOM 212 N ALA A 16 -8.976 -0.408 -7.795 1.00 0.00 N ATOM 213 CA ALA A 16 -8.079 -1.150 -8.737 1.00 0.00 C ATOM 214 C ALA A 16 -7.005 -0.229 -9.328 1.00 0.00 C ATOM 215 O ALA A 16 -5.931 -0.680 -9.677 1.00 0.00 O ATOM 216 CB ALA A 16 -8.919 -1.736 -9.873 1.00 0.00 C ATOM 0 H ALA A 16 -9.825 -0.027 -8.214 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.580 -1.944 -8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.271 -2.278 -10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.662 -2.419 -9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.423 -0.930 -10.406 1.00 0.00 H new ATOM 222 N ARG A 17 -7.281 1.044 -9.461 1.00 0.00 N ATOM 223 CA ARG A 17 -6.263 1.971 -10.048 1.00 0.00 C ATOM 224 C ARG A 17 -4.997 1.990 -9.165 1.00 0.00 C ATOM 225 O ARG A 17 -3.915 1.744 -9.663 1.00 0.00 O ATOM 226 CB ARG A 17 -6.845 3.385 -10.161 1.00 0.00 C ATOM 227 CG ARG A 17 -7.283 3.651 -11.604 1.00 0.00 C ATOM 228 CD ARG A 17 -7.038 5.120 -11.953 1.00 0.00 C ATOM 229 NE ARG A 17 -8.110 5.599 -12.871 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.090 5.259 -14.131 1.00 0.00 C ATOM 231 NH1 ARG A 17 -7.261 5.844 -14.951 1.00 0.00 N ATOM 232 NH2 ARG A 17 -8.901 4.336 -14.571 1.00 0.00 N ATOM 0 H ARG A 17 -8.162 1.481 -9.190 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.995 1.618 -11.044 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.695 3.493 -9.487 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.100 4.120 -9.856 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.729 3.007 -12.287 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.339 3.410 -11.724 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.026 5.723 -11.045 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.062 5.235 -12.425 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.859 6.192 -12.515 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.629 6.567 -14.607 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.245 5.579 -15.936 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.551 3.880 -13.930 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.885 4.070 -15.556 1.00 0.00 H new ATOM 246 N PRO A 18 -5.145 2.278 -7.881 1.00 0.00 N ATOM 247 CA PRO A 18 -3.992 2.321 -6.964 1.00 0.00 C ATOM 248 C PRO A 18 -3.548 0.902 -6.589 1.00 0.00 C ATOM 249 O PRO A 18 -2.402 0.677 -6.250 1.00 0.00 O ATOM 250 CB PRO A 18 -4.521 3.074 -5.741 1.00 0.00 C ATOM 251 CG PRO A 18 -6.059 2.928 -5.772 1.00 0.00 C ATOM 252 CD PRO A 18 -6.442 2.581 -7.221 1.00 0.00 C ATOM 0 HA PRO A 18 -3.118 2.803 -7.403 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.110 2.659 -4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.230 4.124 -5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.387 2.146 -5.087 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.542 3.852 -5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.117 1.726 -7.260 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.951 3.413 -7.708 1.00 0.00 H new ATOM 260 N ALA A 19 -4.444 -0.053 -6.647 1.00 0.00 N ATOM 261 CA ALA A 19 -4.069 -1.456 -6.298 1.00 0.00 C ATOM 262 C ALA A 19 -3.189 -2.052 -7.404 1.00 0.00 C ATOM 263 O ALA A 19 -2.431 -2.975 -7.169 1.00 0.00 O ATOM 264 CB ALA A 19 -5.337 -2.301 -6.150 1.00 0.00 C ATOM 0 H ALA A 19 -5.418 0.080 -6.921 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.516 -1.455 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.064 -3.325 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.962 -1.885 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.889 -2.296 -7.090 1.00 0.00 H new ATOM 270 N THR A 20 -3.285 -1.536 -8.606 1.00 0.00 N ATOM 271 CA THR A 20 -2.458 -2.074 -9.727 1.00 0.00 C ATOM 272 C THR A 20 -1.059 -1.456 -9.680 1.00 0.00 C ATOM 273 O THR A 20 -0.067 -2.150 -9.772 1.00 0.00 O ATOM 274 CB THR A 20 -3.122 -1.733 -11.063 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.467 -2.191 -11.051 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.359 -2.412 -12.202 1.00 0.00 C ATOM 0 H THR A 20 -3.902 -0.764 -8.857 1.00 0.00 H new ATOM 0 HA THR A 20 -2.378 -3.156 -9.627 1.00 0.00 H new ATOM 0 HB THR A 20 -3.107 -0.653 -11.212 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.997 -1.633 -10.445 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.833 -2.169 -13.153 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.327 -2.060 -12.210 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.373 -3.492 -12.056 1.00 0.00 H new ATOM 284 N VAL A 21 -0.973 -0.158 -9.538 1.00 0.00 N ATOM 285 CA VAL A 21 0.366 0.499 -9.484 1.00 0.00 C ATOM 286 C VAL A 21 1.074 0.112 -8.175 1.00 0.00 C ATOM 287 O VAL A 21 2.288 0.147 -8.085 1.00 0.00 O ATOM 288 CB VAL A 21 0.190 2.025 -9.566 1.00 0.00 C ATOM 289 CG1 VAL A 21 -0.643 2.523 -8.381 1.00 0.00 C ATOM 290 CG2 VAL A 21 1.562 2.705 -9.548 1.00 0.00 C ATOM 0 H VAL A 21 -1.770 0.473 -9.457 1.00 0.00 H new ATOM 0 HA VAL A 21 0.975 0.168 -10.325 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.326 2.272 -10.494 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.762 3.604 -8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.624 2.048 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.137 2.271 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.433 3.786 -9.606 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.082 2.451 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.149 2.363 -10.401 1.00 0.00 H new ATOM 300 N LEU A 22 0.324 -0.250 -7.163 1.00 0.00 N ATOM 301 CA LEU A 22 0.942 -0.633 -5.862 1.00 0.00 C ATOM 302 C LEU A 22 1.437 -2.080 -5.919 1.00 0.00 C ATOM 303 O LEU A 22 2.491 -2.398 -5.402 1.00 0.00 O ATOM 304 CB LEU A 22 -0.097 -0.496 -4.747 1.00 0.00 C ATOM 305 CG LEU A 22 -0.257 0.979 -4.374 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.445 1.139 -3.426 1.00 0.00 C ATOM 307 CD2 LEU A 22 1.016 1.469 -3.682 1.00 0.00 C ATOM 0 H LEU A 22 -0.695 -0.296 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 22 1.788 0.025 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.053 -0.905 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.213 -1.071 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.431 1.566 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.559 2.190 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.352 0.788 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.272 0.553 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.904 2.520 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.189 0.882 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.864 1.354 -4.357 1.00 0.00 H new ATOM 319 N VAL A 23 0.684 -2.960 -6.534 1.00 0.00 N ATOM 320 CA VAL A 23 1.117 -4.389 -6.612 1.00 0.00 C ATOM 321 C VAL A 23 2.376 -4.507 -7.483 1.00 0.00 C ATOM 322 O VAL A 23 3.163 -5.421 -7.328 1.00 0.00 O ATOM 323 CB VAL A 23 -0.026 -5.249 -7.188 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.277 -4.922 -8.669 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.337 -6.731 -7.040 1.00 0.00 C ATOM 0 H VAL A 23 -0.208 -2.751 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 23 1.354 -4.751 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.939 -5.029 -6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.088 -5.544 -9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.549 -3.871 -8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.628 -5.118 -9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.467 -7.345 -7.445 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.259 -6.936 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.478 -6.968 -5.985 1.00 0.00 H new ATOM 335 N GLN A 24 2.566 -3.588 -8.398 1.00 0.00 N ATOM 336 CA GLN A 24 3.766 -3.639 -9.283 1.00 0.00 C ATOM 337 C GLN A 24 5.005 -3.201 -8.500 1.00 0.00 C ATOM 338 O GLN A 24 6.041 -3.836 -8.558 1.00 0.00 O ATOM 339 CB GLN A 24 3.560 -2.701 -10.473 1.00 0.00 C ATOM 340 CG GLN A 24 2.626 -3.362 -11.489 1.00 0.00 C ATOM 341 CD GLN A 24 3.454 -4.145 -12.510 1.00 0.00 C ATOM 342 OE1 GLN A 24 4.603 -3.828 -12.749 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.915 -5.160 -13.127 1.00 0.00 N ATOM 0 H GLN A 24 1.938 -2.803 -8.569 1.00 0.00 H new ATOM 0 HA GLN A 24 3.907 -4.659 -9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.136 -1.755 -10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.518 -2.472 -10.939 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.931 -4.030 -10.979 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.027 -2.605 -11.995 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.951 -5.426 -12.926 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.458 -5.688 -13.810 1.00 0.00 H new ATOM 352 N THR A 25 4.906 -2.116 -7.772 1.00 0.00 N ATOM 353 CA THR A 25 6.077 -1.625 -6.985 1.00 0.00 C ATOM 354 C THR A 25 6.486 -2.680 -5.953 1.00 0.00 C ATOM 355 O THR A 25 7.658 -2.906 -5.717 1.00 0.00 O ATOM 356 CB THR A 25 5.697 -0.328 -6.267 1.00 0.00 C ATOM 357 OG1 THR A 25 5.045 0.543 -7.181 1.00 0.00 O ATOM 358 CG2 THR A 25 6.957 0.348 -5.727 1.00 0.00 C ATOM 0 H THR A 25 4.062 -1.549 -7.689 1.00 0.00 H new ATOM 0 HA THR A 25 6.913 -1.439 -7.659 1.00 0.00 H new ATOM 0 HB THR A 25 5.027 -0.555 -5.438 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.092 0.319 -7.223 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.684 1.271 -5.216 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.457 -0.321 -5.026 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.630 0.576 -6.553 1.00 0.00 H new ATOM 366 N ALA A 26 5.528 -3.322 -5.335 1.00 0.00 N ATOM 367 CA ALA A 26 5.850 -4.363 -4.315 1.00 0.00 C ATOM 368 C ALA A 26 6.370 -5.624 -5.011 1.00 0.00 C ATOM 369 O ALA A 26 7.160 -6.366 -4.457 1.00 0.00 O ATOM 370 CB ALA A 26 4.588 -4.706 -3.521 1.00 0.00 C ATOM 0 H ALA A 26 4.532 -3.169 -5.494 1.00 0.00 H new ATOM 0 HA ALA A 26 6.615 -3.981 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.822 -5.466 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.218 -3.811 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.824 -5.086 -4.199 1.00 0.00 H new ATOM 376 N SER A 27 5.930 -5.871 -6.218 1.00 0.00 N ATOM 377 CA SER A 27 6.393 -7.083 -6.958 1.00 0.00 C ATOM 378 C SER A 27 7.892 -6.969 -7.248 1.00 0.00 C ATOM 379 O SER A 27 8.585 -7.962 -7.361 1.00 0.00 O ATOM 380 CB SER A 27 5.626 -7.200 -8.275 1.00 0.00 C ATOM 381 OG SER A 27 5.770 -8.519 -8.786 1.00 0.00 O ATOM 0 H SER A 27 5.268 -5.283 -6.725 1.00 0.00 H new ATOM 0 HA SER A 27 6.210 -7.969 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.572 -6.972 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.005 -6.475 -8.995 1.00 0.00 H new ATOM 0 HG SER A 27 5.278 -8.598 -9.630 1.00 0.00 H new ATOM 387 N LYS A 28 8.395 -5.766 -7.370 1.00 0.00 N ATOM 388 CA LYS A 28 9.847 -5.580 -7.654 1.00 0.00 C ATOM 389 C LYS A 28 10.677 -6.085 -6.469 1.00 0.00 C ATOM 390 O LYS A 28 11.822 -6.467 -6.624 1.00 0.00 O ATOM 391 CB LYS A 28 10.136 -4.094 -7.880 1.00 0.00 C ATOM 392 CG LYS A 28 9.585 -3.667 -9.240 1.00 0.00 C ATOM 393 CD LYS A 28 9.500 -2.140 -9.302 1.00 0.00 C ATOM 394 CE LYS A 28 9.706 -1.672 -10.744 1.00 0.00 C ATOM 395 NZ LYS A 28 11.131 -1.282 -10.940 1.00 0.00 N ATOM 0 H LYS A 28 7.859 -4.903 -7.284 1.00 0.00 H new ATOM 0 HA LYS A 28 10.113 -6.145 -8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.680 -3.500 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.210 -3.911 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.229 -4.038 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.599 -4.103 -9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.530 -1.805 -8.935 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.256 -1.697 -8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.437 -2.468 -11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.053 -0.826 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.272 -0.964 -11.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.373 -0.510 -10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.744 -2.100 -10.750 1.00 0.00 H new ATOM 409 N TYR A 29 10.112 -6.080 -5.286 1.00 0.00 N ATOM 410 CA TYR A 29 10.868 -6.550 -4.087 1.00 0.00 C ATOM 411 C TYR A 29 10.301 -7.889 -3.613 1.00 0.00 C ATOM 412 O TYR A 29 9.100 -8.087 -3.579 1.00 0.00 O ATOM 413 CB TYR A 29 10.742 -5.514 -2.964 1.00 0.00 C ATOM 414 CG TYR A 29 11.111 -4.148 -3.495 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.145 -3.367 -4.141 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.417 -3.667 -3.350 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.484 -2.106 -4.641 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.757 -2.404 -3.850 1.00 0.00 C ATOM 419 CZ TYR A 29 11.790 -1.623 -4.496 1.00 0.00 C ATOM 420 OH TYR A 29 12.126 -0.380 -4.990 1.00 0.00 O ATOM 0 H TYR A 29 9.158 -5.770 -5.101 1.00 0.00 H new ATOM 0 HA TYR A 29 11.918 -6.676 -4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.723 -5.503 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.395 -5.781 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.137 -3.739 -4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 29 13.163 -4.270 -2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.738 -1.504 -5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.765 -2.032 -3.738 1.00 0.00 H new ATOM 0 HH TYR A 29 13.071 -0.199 -4.804 1.00 0.00 H new ATOM 430 N ASP A 30 11.159 -8.806 -3.247 1.00 0.00 N ATOM 431 CA ASP A 30 10.683 -10.140 -2.771 1.00 0.00 C ATOM 432 C ASP A 30 10.301 -10.077 -1.284 1.00 0.00 C ATOM 433 O ASP A 30 9.823 -11.048 -0.727 1.00 0.00 O ATOM 434 CB ASP A 30 11.796 -11.172 -2.964 1.00 0.00 C ATOM 435 CG ASP A 30 12.191 -11.226 -4.441 1.00 0.00 C ATOM 436 OD1 ASP A 30 11.299 -11.270 -5.271 1.00 0.00 O ATOM 437 OD2 ASP A 30 13.380 -11.223 -4.716 1.00 0.00 O ATOM 0 H ASP A 30 12.172 -8.688 -3.257 1.00 0.00 H new ATOM 0 HA ASP A 30 9.804 -10.426 -3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.661 -10.908 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.458 -12.153 -2.631 1.00 0.00 H new ATOM 442 N ALA A 31 10.503 -8.952 -0.631 1.00 0.00 N ATOM 443 CA ALA A 31 10.147 -8.847 0.816 1.00 0.00 C ATOM 444 C ALA A 31 8.644 -9.079 0.992 1.00 0.00 C ATOM 445 O ALA A 31 7.924 -9.281 0.032 1.00 0.00 O ATOM 446 CB ALA A 31 10.510 -7.453 1.330 1.00 0.00 C ATOM 0 H ALA A 31 10.899 -8.106 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 31 10.699 -9.599 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.251 -7.376 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.580 -7.287 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.958 -6.702 0.765 1.00 0.00 H new ATOM 452 N ASP A 32 8.168 -9.051 2.212 1.00 0.00 N ATOM 453 CA ASP A 32 6.714 -9.271 2.458 1.00 0.00 C ATOM 454 C ASP A 32 6.019 -7.925 2.675 1.00 0.00 C ATOM 455 O ASP A 32 6.054 -7.367 3.756 1.00 0.00 O ATOM 456 CB ASP A 32 6.530 -10.142 3.701 1.00 0.00 C ATOM 457 CG ASP A 32 6.669 -11.616 3.318 1.00 0.00 C ATOM 458 OD1 ASP A 32 7.745 -11.998 2.889 1.00 0.00 O ATOM 459 OD2 ASP A 32 5.697 -12.340 3.461 1.00 0.00 O ATOM 0 H ASP A 32 8.727 -8.885 3.049 1.00 0.00 H new ATOM 0 HA ASP A 32 6.276 -9.771 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.273 -9.880 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.550 -9.961 4.143 1.00 0.00 H new ATOM 464 N VAL A 33 5.387 -7.407 1.656 1.00 0.00 N ATOM 465 CA VAL A 33 4.681 -6.098 1.791 1.00 0.00 C ATOM 466 C VAL A 33 3.210 -6.354 2.129 1.00 0.00 C ATOM 467 O VAL A 33 2.473 -6.913 1.338 1.00 0.00 O ATOM 468 CB VAL A 33 4.773 -5.323 0.474 1.00 0.00 C ATOM 469 CG1 VAL A 33 4.235 -3.906 0.677 1.00 0.00 C ATOM 470 CG2 VAL A 33 6.235 -5.250 0.022 1.00 0.00 C ATOM 0 H VAL A 33 5.329 -7.835 0.732 1.00 0.00 H new ATOM 0 HA VAL A 33 5.146 -5.514 2.585 1.00 0.00 H new ATOM 0 HB VAL A 33 4.182 -5.833 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.301 -3.354 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.194 -3.954 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.826 -3.398 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.299 -4.698 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.826 -4.741 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.622 -6.259 -0.124 1.00 0.00 H new ATOM 480 N ASN A 34 2.782 -5.954 3.300 1.00 0.00 N ATOM 481 CA ASN A 34 1.360 -6.177 3.697 1.00 0.00 C ATOM 482 C ASN A 34 0.700 -4.837 4.034 1.00 0.00 C ATOM 483 O ASN A 34 1.357 -3.894 4.434 1.00 0.00 O ATOM 484 CB ASN A 34 1.311 -7.091 4.924 1.00 0.00 C ATOM 485 CG ASN A 34 1.879 -8.464 4.560 1.00 0.00 C ATOM 486 OD1 ASN A 34 2.699 -8.580 3.670 1.00 0.00 O ATOM 487 ND2 ASN A 34 1.476 -9.518 5.216 1.00 0.00 N ATOM 0 H ASN A 34 3.357 -5.482 3.998 1.00 0.00 H new ATOM 0 HA ASN A 34 0.825 -6.644 2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.885 -6.653 5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.284 -7.192 5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.849 -10.438 4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.788 -9.422 5.963 1.00 0.00 H new ATOM 494 N LEU A 35 -0.597 -4.754 3.876 1.00 0.00 N ATOM 495 CA LEU A 35 -1.319 -3.484 4.185 1.00 0.00 C ATOM 496 C LEU A 35 -2.179 -3.682 5.434 1.00 0.00 C ATOM 497 O LEU A 35 -3.047 -4.534 5.468 1.00 0.00 O ATOM 498 CB LEU A 35 -2.217 -3.111 3.005 1.00 0.00 C ATOM 499 CG LEU A 35 -2.831 -1.729 3.244 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.965 -0.662 2.573 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.240 -1.689 2.649 1.00 0.00 C ATOM 0 H LEU A 35 -1.189 -5.516 3.545 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.597 -2.686 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.638 -3.108 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.005 -3.855 2.885 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.882 -1.534 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.402 0.322 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.960 -0.690 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.914 -0.856 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.679 -0.706 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.188 -1.884 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.858 -2.449 3.126 1.00 0.00 H new ATOM 513 N GLU A 36 -1.943 -2.904 6.459 1.00 0.00 N ATOM 514 CA GLU A 36 -2.743 -3.046 7.710 1.00 0.00 C ATOM 515 C GLU A 36 -3.851 -1.992 7.738 1.00 0.00 C ATOM 516 O GLU A 36 -3.595 -0.811 7.872 1.00 0.00 O ATOM 517 CB GLU A 36 -1.829 -2.860 8.924 1.00 0.00 C ATOM 518 CG GLU A 36 -2.476 -3.489 10.164 1.00 0.00 C ATOM 519 CD GLU A 36 -3.049 -2.389 11.063 1.00 0.00 C ATOM 520 OE1 GLU A 36 -3.764 -1.545 10.550 1.00 0.00 O ATOM 521 OE2 GLU A 36 -2.763 -2.411 12.249 1.00 0.00 O ATOM 0 H GLU A 36 -1.229 -2.176 6.482 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.191 -4.039 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.860 -3.321 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.649 -1.799 9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.268 -4.176 9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.738 -4.074 10.714 1.00 0.00 H new ATOM 528 N TYR A 37 -5.081 -2.419 7.616 1.00 0.00 N ATOM 529 CA TYR A 37 -6.224 -1.458 7.636 1.00 0.00 C ATOM 530 C TYR A 37 -7.381 -2.060 8.435 1.00 0.00 C ATOM 531 O TYR A 37 -7.634 -3.248 8.378 1.00 0.00 O ATOM 532 CB TYR A 37 -6.689 -1.179 6.206 1.00 0.00 C ATOM 533 CG TYR A 37 -7.685 -0.046 6.219 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.254 1.259 6.492 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.038 -0.297 5.963 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.176 2.311 6.508 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.960 0.756 5.978 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.530 2.060 6.252 1.00 0.00 C ATOM 539 OH TYR A 37 -10.439 3.098 6.268 1.00 0.00 O ATOM 0 H TYR A 37 -5.344 -3.398 7.503 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.902 -0.526 8.101 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.836 -0.922 5.577 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.143 -2.073 5.778 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.210 1.453 6.690 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.371 -1.303 5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.844 3.317 6.718 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.004 0.563 5.778 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.334 2.752 6.069 1.00 0.00 H new ATOM 549 N ASN A 38 -8.089 -1.244 9.179 1.00 0.00 N ATOM 550 CA ASN A 38 -9.239 -1.755 9.988 1.00 0.00 C ATOM 551 C ASN A 38 -8.742 -2.798 10.994 1.00 0.00 C ATOM 552 O ASN A 38 -9.450 -3.726 11.337 1.00 0.00 O ATOM 553 CB ASN A 38 -10.278 -2.395 9.062 1.00 0.00 C ATOM 554 CG ASN A 38 -11.674 -2.222 9.664 1.00 0.00 C ATOM 555 OD1 ASN A 38 -11.926 -1.276 10.382 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.598 -3.106 9.398 1.00 0.00 N ATOM 0 H ASN A 38 -7.918 -0.242 9.260 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.695 -0.923 10.525 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.236 -1.932 8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.057 -3.454 8.927 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.532 -3.002 9.794 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.385 -3.900 8.795 1.00 0.00 H new ATOM 563 N GLY A 39 -7.531 -2.649 11.466 1.00 0.00 N ATOM 564 CA GLY A 39 -6.978 -3.626 12.453 1.00 0.00 C ATOM 565 C GLY A 39 -6.899 -5.010 11.818 1.00 0.00 C ATOM 566 O GLY A 39 -7.062 -6.018 12.479 1.00 0.00 O ATOM 0 H GLY A 39 -6.899 -1.891 11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.988 -3.308 12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.610 -3.658 13.340 1.00 0.00 H new ATOM 570 N LYS A 40 -6.635 -5.063 10.539 1.00 0.00 N ATOM 571 CA LYS A 40 -6.526 -6.377 9.848 1.00 0.00 C ATOM 572 C LYS A 40 -5.269 -6.384 8.986 1.00 0.00 C ATOM 573 O LYS A 40 -4.897 -5.382 8.406 1.00 0.00 O ATOM 574 CB LYS A 40 -7.750 -6.609 8.962 1.00 0.00 C ATOM 575 CG LYS A 40 -8.937 -7.066 9.821 1.00 0.00 C ATOM 576 CD LYS A 40 -9.639 -8.249 9.146 1.00 0.00 C ATOM 577 CE LYS A 40 -10.225 -9.178 10.212 1.00 0.00 C ATOM 578 NZ LYS A 40 -11.686 -8.920 10.348 1.00 0.00 N ATOM 0 H LYS A 40 -6.490 -4.248 9.943 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.472 -7.171 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.005 -5.691 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.525 -7.362 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.590 -7.355 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.639 -6.243 9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.431 -7.888 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.932 -8.796 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.053 -10.219 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.726 -9.014 11.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.084 -9.551 11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.839 -7.930 10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.156 -9.098 9.438 1.00 0.00 H new ATOM 592 N THR A 41 -4.615 -7.506 8.903 1.00 0.00 N ATOM 593 CA THR A 41 -3.373 -7.596 8.081 1.00 0.00 C ATOM 594 C THR A 41 -3.677 -8.310 6.763 1.00 0.00 C ATOM 595 O THR A 41 -3.697 -9.524 6.696 1.00 0.00 O ATOM 596 CB THR A 41 -2.307 -8.378 8.852 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.384 -8.049 10.231 1.00 0.00 O ATOM 598 CG2 THR A 41 -0.921 -8.019 8.316 1.00 0.00 C ATOM 0 H THR A 41 -4.887 -8.371 9.371 1.00 0.00 H new ATOM 0 HA THR A 41 -3.007 -6.591 7.870 1.00 0.00 H new ATOM 0 HB THR A 41 -2.477 -9.447 8.724 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.703 -8.551 10.726 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.163 -8.576 8.866 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.863 -8.274 7.258 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.748 -6.950 8.442 1.00 0.00 H new ATOM 606 N VAL A 42 -3.907 -7.561 5.714 1.00 0.00 N ATOM 607 CA VAL A 42 -4.205 -8.185 4.391 1.00 0.00 C ATOM 608 C VAL A 42 -2.928 -8.222 3.550 1.00 0.00 C ATOM 609 O VAL A 42 -1.859 -7.873 4.015 1.00 0.00 O ATOM 610 CB VAL A 42 -5.272 -7.365 3.661 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.602 -7.476 4.407 1.00 0.00 C ATOM 612 CG2 VAL A 42 -4.840 -5.896 3.605 1.00 0.00 C ATOM 0 H VAL A 42 -3.901 -6.541 5.718 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.573 -9.199 4.544 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.391 -7.748 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.361 -6.892 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.911 -8.520 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.483 -7.095 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.600 -5.313 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.719 -5.513 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.893 -5.815 3.071 1.00 0.00 H new ATOM 622 N ASN A 43 -3.033 -8.642 2.314 1.00 0.00 N ATOM 623 CA ASN A 43 -1.829 -8.705 1.434 1.00 0.00 C ATOM 624 C ASN A 43 -1.780 -7.460 0.545 1.00 0.00 C ATOM 625 O ASN A 43 -2.770 -7.063 -0.038 1.00 0.00 O ATOM 626 CB ASN A 43 -1.903 -9.958 0.560 1.00 0.00 C ATOM 627 CG ASN A 43 -0.601 -10.106 -0.231 1.00 0.00 C ATOM 628 OD1 ASN A 43 -0.624 -10.293 -1.431 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.541 -10.030 0.396 1.00 0.00 N ATOM 0 H ASN A 43 -3.903 -8.944 1.877 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.930 -8.745 2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.066 -10.839 1.181 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.750 -9.889 -0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.414 -10.128 -0.122 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.560 -9.873 1.404 1.00 0.00 H new ATOM 636 N LEU A 44 -0.629 -6.843 0.442 1.00 0.00 N ATOM 637 CA LEU A 44 -0.496 -5.620 -0.404 1.00 0.00 C ATOM 638 C LEU A 44 -0.669 -5.998 -1.879 1.00 0.00 C ATOM 639 O LEU A 44 -1.087 -5.190 -2.687 1.00 0.00 O ATOM 640 CB LEU A 44 0.899 -5.001 -0.172 1.00 0.00 C ATOM 641 CG LEU A 44 1.046 -3.611 -0.840 1.00 0.00 C ATOM 642 CD1 LEU A 44 1.225 -3.767 -2.355 1.00 0.00 C ATOM 643 CD2 LEU A 44 -0.179 -2.728 -0.551 1.00 0.00 C ATOM 0 H LEU A 44 0.228 -7.137 0.911 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.263 -4.893 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.079 -4.907 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.662 -5.673 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 44 1.928 -3.128 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.327 -2.783 -2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.120 -4.356 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.355 -4.273 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.050 -1.758 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.075 -3.210 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.282 -2.589 0.525 1.00 0.00 H new ATOM 655 N LYS A 45 -0.351 -7.218 -2.237 1.00 0.00 N ATOM 656 CA LYS A 45 -0.492 -7.645 -3.662 1.00 0.00 C ATOM 657 C LYS A 45 -1.862 -8.298 -3.886 1.00 0.00 C ATOM 658 O LYS A 45 -1.980 -9.274 -4.604 1.00 0.00 O ATOM 659 CB LYS A 45 0.614 -8.649 -4.003 1.00 0.00 C ATOM 660 CG LYS A 45 1.979 -8.057 -3.639 1.00 0.00 C ATOM 661 CD LYS A 45 2.435 -8.608 -2.284 1.00 0.00 C ATOM 662 CE LYS A 45 3.960 -8.529 -2.188 1.00 0.00 C ATOM 663 NZ LYS A 45 4.569 -9.552 -3.085 1.00 0.00 N ATOM 0 H LYS A 45 0.000 -7.936 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.407 -6.770 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.454 -9.580 -3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.584 -8.891 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.711 -8.305 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.915 -6.970 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.979 -8.037 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.106 -9.641 -2.170 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.302 -7.533 -2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.279 -8.696 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.509 -9.813 -2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.962 -10.396 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.661 -9.162 -4.045 1.00 0.00 H new ATOM 677 N SER A 46 -2.898 -7.765 -3.284 1.00 0.00 N ATOM 678 CA SER A 46 -4.257 -8.350 -3.468 1.00 0.00 C ATOM 679 C SER A 46 -5.197 -7.283 -4.030 1.00 0.00 C ATOM 680 O SER A 46 -5.304 -6.194 -3.495 1.00 0.00 O ATOM 681 CB SER A 46 -4.790 -8.832 -2.121 1.00 0.00 C ATOM 682 OG SER A 46 -5.689 -9.913 -2.330 1.00 0.00 O ATOM 0 H SER A 46 -2.858 -6.949 -2.673 1.00 0.00 H new ATOM 0 HA SER A 46 -4.200 -9.190 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.965 -9.149 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.297 -8.017 -1.605 1.00 0.00 H new ATOM 0 HG SER A 46 -6.031 -10.225 -1.467 1.00 0.00 H new ATOM 688 N ILE A 47 -5.883 -7.592 -5.100 1.00 0.00 N ATOM 689 CA ILE A 47 -6.826 -6.605 -5.701 1.00 0.00 C ATOM 690 C ILE A 47 -8.230 -6.863 -5.153 1.00 0.00 C ATOM 691 O ILE A 47 -8.995 -5.945 -4.924 1.00 0.00 O ATOM 692 CB ILE A 47 -6.824 -6.758 -7.226 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.397 -6.574 -7.751 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.733 -5.699 -7.855 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.697 -7.933 -7.812 1.00 0.00 C ATOM 0 H ILE A 47 -5.830 -8.488 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.516 -5.592 -5.446 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.190 -7.750 -7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.418 -6.119 -8.741 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.843 -5.897 -7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.728 -5.812 -8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.750 -5.824 -7.482 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.370 -4.705 -7.592 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.681 -7.803 -8.186 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.663 -8.370 -6.814 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.247 -8.596 -8.480 1.00 0.00 H new ATOM 707 N MET A 48 -8.568 -8.109 -4.935 1.00 0.00 N ATOM 708 CA MET A 48 -9.918 -8.439 -4.391 1.00 0.00 C ATOM 709 C MET A 48 -9.851 -8.547 -2.861 1.00 0.00 C ATOM 710 O MET A 48 -10.746 -9.088 -2.235 1.00 0.00 O ATOM 711 CB MET A 48 -10.390 -9.771 -4.975 1.00 0.00 C ATOM 712 CG MET A 48 -11.912 -9.868 -4.857 1.00 0.00 C ATOM 713 SD MET A 48 -12.462 -11.488 -5.448 1.00 0.00 S ATOM 714 CE MET A 48 -14.100 -11.463 -4.681 1.00 0.00 C ATOM 0 H MET A 48 -7.965 -8.913 -5.111 1.00 0.00 H new ATOM 0 HA MET A 48 -10.618 -7.650 -4.665 1.00 0.00 H new ATOM 0 HB2 MET A 48 -10.090 -9.849 -6.020 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.920 -10.600 -4.445 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.217 -9.725 -3.820 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.384 -9.077 -5.440 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.628 -12.387 -4.919 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.994 -11.374 -3.600 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.667 -10.613 -5.061 1.00 0.00 H new ATOM 724 N GLY A 49 -8.807 -8.035 -2.251 1.00 0.00 N ATOM 725 CA GLY A 49 -8.689 -8.105 -0.768 1.00 0.00 C ATOM 726 C GLY A 49 -9.092 -6.758 -0.170 1.00 0.00 C ATOM 727 O GLY A 49 -9.677 -6.688 0.895 1.00 0.00 O ATOM 0 H GLY A 49 -8.031 -7.571 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.328 -8.896 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.666 -8.352 -0.483 1.00 0.00 H new ATOM 731 N VAL A 50 -8.788 -5.688 -0.856 1.00 0.00 N ATOM 732 CA VAL A 50 -9.150 -4.331 -0.350 1.00 0.00 C ATOM 733 C VAL A 50 -10.672 -4.151 -0.408 1.00 0.00 C ATOM 734 O VAL A 50 -11.231 -3.350 0.315 1.00 0.00 O ATOM 735 CB VAL A 50 -8.471 -3.270 -1.222 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.774 -1.874 -0.670 1.00 0.00 C ATOM 737 CG2 VAL A 50 -6.958 -3.501 -1.214 1.00 0.00 C ATOM 0 H VAL A 50 -8.301 -5.696 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.816 -4.223 0.682 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.850 -3.344 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.289 -1.123 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.851 -1.707 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.398 -1.797 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.472 -2.748 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.584 -3.427 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.739 -4.493 -1.610 1.00 0.00 H new ATOM 747 N VAL A 51 -11.343 -4.883 -1.264 1.00 0.00 N ATOM 748 CA VAL A 51 -12.827 -4.750 -1.373 1.00 0.00 C ATOM 749 C VAL A 51 -13.480 -5.124 -0.039 1.00 0.00 C ATOM 750 O VAL A 51 -14.440 -4.508 0.383 1.00 0.00 O ATOM 751 CB VAL A 51 -13.339 -5.685 -2.473 1.00 0.00 C ATOM 752 CG1 VAL A 51 -14.838 -5.464 -2.681 1.00 0.00 C ATOM 753 CG2 VAL A 51 -12.597 -5.386 -3.778 1.00 0.00 C ATOM 0 H VAL A 51 -10.924 -5.568 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.081 -3.719 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.164 -6.720 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -15.199 -6.131 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -15.369 -5.674 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -15.016 -4.430 -2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.959 -6.050 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.774 -4.350 -4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.528 -5.544 -3.633 1.00 0.00 H new ATOM 763 N SER A 52 -12.970 -6.132 0.622 1.00 0.00 N ATOM 764 CA SER A 52 -13.560 -6.556 1.927 1.00 0.00 C ATOM 765 C SER A 52 -13.237 -5.518 3.005 1.00 0.00 C ATOM 766 O SER A 52 -13.993 -5.326 3.938 1.00 0.00 O ATOM 767 CB SER A 52 -12.976 -7.909 2.334 1.00 0.00 C ATOM 768 OG SER A 52 -11.604 -7.746 2.672 1.00 0.00 O ATOM 0 H SER A 52 -12.168 -6.681 0.313 1.00 0.00 H new ATOM 0 HA SER A 52 -14.642 -6.640 1.821 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.526 -8.315 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.079 -8.623 1.517 1.00 0.00 H new ATOM 0 HG SER A 52 -11.125 -7.351 1.914 1.00 0.00 H new ATOM 774 N LEU A 53 -12.117 -4.851 2.884 1.00 0.00 N ATOM 775 CA LEU A 53 -11.734 -3.826 3.902 1.00 0.00 C ATOM 776 C LEU A 53 -12.666 -2.618 3.793 1.00 0.00 C ATOM 777 O LEU A 53 -13.017 -2.006 4.785 1.00 0.00 O ATOM 778 CB LEU A 53 -10.292 -3.379 3.655 1.00 0.00 C ATOM 779 CG LEU A 53 -9.330 -4.431 4.205 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.907 -4.107 3.749 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.388 -4.423 5.734 1.00 0.00 C ATOM 0 H LEU A 53 -11.450 -4.973 2.122 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.818 -4.258 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.122 -3.238 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.111 -2.418 4.136 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.616 -5.415 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.220 -4.857 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.864 -4.110 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.621 -3.123 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.702 -5.173 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.101 -3.439 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.402 -4.652 6.061 1.00 0.00 H new ATOM 793 N GLY A 54 -13.064 -2.269 2.597 1.00 0.00 N ATOM 794 CA GLY A 54 -13.972 -1.099 2.415 1.00 0.00 C ATOM 795 C GLY A 54 -13.181 0.198 2.607 1.00 0.00 C ATOM 796 O GLY A 54 -13.612 1.099 3.300 1.00 0.00 O ATOM 0 H GLY A 54 -12.798 -2.746 1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.417 -1.122 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.792 -1.147 3.132 1.00 0.00 H new ATOM 800 N ILE A 55 -12.027 0.296 1.994 1.00 0.00 N ATOM 801 CA ILE A 55 -11.203 1.529 2.132 1.00 0.00 C ATOM 802 C ILE A 55 -11.780 2.621 1.234 1.00 0.00 C ATOM 803 O ILE A 55 -12.225 2.363 0.132 1.00 0.00 O ATOM 804 CB ILE A 55 -9.760 1.240 1.714 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.239 0.020 2.480 1.00 0.00 C ATOM 806 CG2 ILE A 55 -8.885 2.453 2.038 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.841 -0.347 1.978 1.00 0.00 C ATOM 0 H ILE A 55 -11.622 -0.430 1.403 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.216 1.858 3.171 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.726 1.039 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.207 0.236 3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.917 -0.823 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.856 2.249 1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.254 3.323 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.921 2.652 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.474 -1.215 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.886 -0.581 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.165 0.494 2.136 1.00 0.00 H new ATOM 819 N ALA A 56 -11.774 3.835 1.706 1.00 0.00 N ATOM 820 CA ALA A 56 -12.319 4.964 0.898 1.00 0.00 C ATOM 821 C ALA A 56 -11.542 6.242 1.217 1.00 0.00 C ATOM 822 O ALA A 56 -10.491 6.203 1.828 1.00 0.00 O ATOM 823 CB ALA A 56 -13.797 5.167 1.241 1.00 0.00 C ATOM 0 H ALA A 56 -11.413 4.097 2.623 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.219 4.734 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.197 5.992 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.352 4.256 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.896 5.398 2.302 1.00 0.00 H new ATOM 829 N LYS A 57 -12.054 7.376 0.806 1.00 0.00 N ATOM 830 CA LYS A 57 -11.354 8.668 1.078 1.00 0.00 C ATOM 831 C LYS A 57 -11.232 8.878 2.590 1.00 0.00 C ATOM 832 O LYS A 57 -12.118 8.527 3.347 1.00 0.00 O ATOM 833 CB LYS A 57 -12.157 9.820 0.467 1.00 0.00 C ATOM 834 CG LYS A 57 -11.375 11.127 0.619 1.00 0.00 C ATOM 835 CD LYS A 57 -12.338 12.311 0.512 1.00 0.00 C ATOM 836 CE LYS A 57 -11.797 13.485 1.331 1.00 0.00 C ATOM 837 NZ LYS A 57 -12.269 14.767 0.735 1.00 0.00 N ATOM 0 H LYS A 57 -12.931 7.462 0.292 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.358 8.641 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.353 9.622 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.125 9.904 0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.862 11.147 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.608 11.197 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.455 12.605 -0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.325 12.025 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.134 13.407 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.707 13.459 1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.901 15.565 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.927 14.841 -0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.309 14.791 0.741 1.00 0.00 H new ATOM 851 N GLY A 58 -10.140 9.449 3.031 1.00 0.00 N ATOM 852 CA GLY A 58 -9.950 9.686 4.492 1.00 0.00 C ATOM 853 C GLY A 58 -9.751 8.348 5.205 1.00 0.00 C ATOM 854 O GLY A 58 -10.351 8.087 6.231 1.00 0.00 O ATOM 0 H GLY A 58 -9.370 9.762 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.086 10.330 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.817 10.204 4.903 1.00 0.00 H new ATOM 858 N ALA A 59 -8.910 7.501 4.666 1.00 0.00 N ATOM 859 CA ALA A 59 -8.664 6.174 5.304 1.00 0.00 C ATOM 860 C ALA A 59 -7.196 6.074 5.722 1.00 0.00 C ATOM 861 O ALA A 59 -6.301 6.268 4.922 1.00 0.00 O ATOM 862 CB ALA A 59 -8.988 5.061 4.306 1.00 0.00 C ATOM 0 H ALA A 59 -8.383 7.673 3.810 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.300 6.069 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.809 4.092 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.034 5.133 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.352 5.165 3.427 1.00 0.00 H new ATOM 868 N GLU A 60 -6.946 5.768 6.970 1.00 0.00 N ATOM 869 CA GLU A 60 -5.537 5.650 7.448 1.00 0.00 C ATOM 870 C GLU A 60 -5.033 4.230 7.196 1.00 0.00 C ATOM 871 O GLU A 60 -5.514 3.280 7.785 1.00 0.00 O ATOM 872 CB GLU A 60 -5.477 5.953 8.947 1.00 0.00 C ATOM 873 CG GLU A 60 -5.807 7.428 9.185 1.00 0.00 C ATOM 874 CD GLU A 60 -6.528 7.580 10.526 1.00 0.00 C ATOM 875 OE1 GLU A 60 -7.685 7.200 10.599 1.00 0.00 O ATOM 876 OE2 GLU A 60 -5.912 8.074 11.455 1.00 0.00 O ATOM 0 H GLU A 60 -7.659 5.595 7.679 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.910 6.361 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.183 5.320 9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.484 5.725 9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.893 8.021 9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.434 7.806 8.378 1.00 0.00 H new ATOM 883 N ILE A 61 -4.070 4.080 6.324 1.00 0.00 N ATOM 884 CA ILE A 61 -3.528 2.724 6.025 1.00 0.00 C ATOM 885 C ILE A 61 -2.086 2.628 6.527 1.00 0.00 C ATOM 886 O ILE A 61 -1.422 3.627 6.731 1.00 0.00 O ATOM 887 CB ILE A 61 -3.560 2.484 4.514 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.826 3.622 3.800 1.00 0.00 C ATOM 889 CG2 ILE A 61 -5.012 2.435 4.036 1.00 0.00 C ATOM 890 CD1 ILE A 61 -2.595 3.242 2.336 1.00 0.00 C ATOM 0 H ILE A 61 -3.635 4.843 5.805 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.137 1.971 6.525 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.070 1.537 4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.410 4.540 3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.873 3.818 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.035 2.264 2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.535 1.624 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.502 3.382 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.072 4.052 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.993 2.335 2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.555 3.068 1.850 1.00 0.00 H new ATOM 902 N THR A 62 -1.598 1.430 6.725 1.00 0.00 N ATOM 903 CA THR A 62 -0.200 1.255 7.211 1.00 0.00 C ATOM 904 C THR A 62 0.530 0.260 6.307 1.00 0.00 C ATOM 905 O THR A 62 -0.086 -0.496 5.580 1.00 0.00 O ATOM 906 CB THR A 62 -0.222 0.720 8.646 1.00 0.00 C ATOM 907 OG1 THR A 62 -1.275 1.347 9.366 1.00 0.00 O ATOM 908 CG2 THR A 62 1.114 1.024 9.326 1.00 0.00 C ATOM 0 H THR A 62 -2.112 0.563 6.570 1.00 0.00 H new ATOM 0 HA THR A 62 0.317 2.214 7.189 1.00 0.00 H new ATOM 0 HB THR A 62 -0.382 -0.358 8.631 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.292 1.005 10.284 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.098 0.643 10.347 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.921 0.544 8.773 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.276 2.102 9.343 1.00 0.00 H new ATOM 916 N ILE A 63 1.838 0.259 6.346 1.00 0.00 N ATOM 917 CA ILE A 63 2.614 -0.685 5.489 1.00 0.00 C ATOM 918 C ILE A 63 3.771 -1.277 6.300 1.00 0.00 C ATOM 919 O ILE A 63 4.430 -0.588 7.054 1.00 0.00 O ATOM 920 CB ILE A 63 3.161 0.070 4.271 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.990 0.665 3.483 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.941 -0.892 3.367 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.523 1.539 2.345 1.00 0.00 C ATOM 0 H ILE A 63 2.402 0.872 6.935 1.00 0.00 H new ATOM 0 HA ILE A 63 1.966 -1.493 5.150 1.00 0.00 H new ATOM 0 HB ILE A 63 3.827 0.865 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.368 -0.134 3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.358 1.258 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.326 -0.349 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.772 -1.323 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.280 -1.689 3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.687 1.960 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.127 2.347 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.136 0.933 1.678 1.00 0.00 H new ATOM 935 N SER A 64 4.019 -2.553 6.141 1.00 0.00 N ATOM 936 CA SER A 64 5.129 -3.207 6.892 1.00 0.00 C ATOM 937 C SER A 64 5.860 -4.182 5.966 1.00 0.00 C ATOM 938 O SER A 64 5.287 -5.143 5.489 1.00 0.00 O ATOM 939 CB SER A 64 4.558 -3.968 8.088 1.00 0.00 C ATOM 940 OG SER A 64 3.825 -5.093 7.620 1.00 0.00 O ATOM 0 H SER A 64 3.497 -3.171 5.520 1.00 0.00 H new ATOM 0 HA SER A 64 5.827 -2.448 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.364 -4.292 8.746 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.911 -3.315 8.674 1.00 0.00 H new ATOM 0 HG SER A 64 3.965 -5.197 6.656 1.00 0.00 H new ATOM 946 N ALA A 65 7.120 -3.937 5.708 1.00 0.00 N ATOM 947 CA ALA A 65 7.895 -4.843 4.810 1.00 0.00 C ATOM 948 C ALA A 65 8.872 -5.676 5.642 1.00 0.00 C ATOM 949 O ALA A 65 9.626 -5.150 6.439 1.00 0.00 O ATOM 950 CB ALA A 65 8.676 -4.009 3.792 1.00 0.00 C ATOM 0 H ALA A 65 7.645 -3.147 6.082 1.00 0.00 H new ATOM 0 HA ALA A 65 7.207 -5.506 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.242 -4.671 3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.981 -3.417 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.363 -3.344 4.316 1.00 0.00 H new ATOM 956 N SER A 66 8.863 -6.972 5.459 1.00 0.00 N ATOM 957 CA SER A 66 9.789 -7.849 6.232 1.00 0.00 C ATOM 958 C SER A 66 10.405 -8.889 5.293 1.00 0.00 C ATOM 959 O SER A 66 9.752 -9.830 4.884 1.00 0.00 O ATOM 960 CB SER A 66 9.010 -8.561 7.339 1.00 0.00 C ATOM 961 OG SER A 66 7.933 -7.734 7.761 1.00 0.00 O ATOM 0 H SER A 66 8.252 -7.461 4.805 1.00 0.00 H new ATOM 0 HA SER A 66 10.580 -7.244 6.675 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.630 -9.516 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.668 -8.779 8.180 1.00 0.00 H new ATOM 0 HG SER A 66 7.430 -8.188 8.469 1.00 0.00 H new ATOM 967 N GLY A 67 11.657 -8.721 4.950 1.00 0.00 N ATOM 968 CA GLY A 67 12.325 -9.695 4.035 1.00 0.00 C ATOM 969 C GLY A 67 13.782 -9.284 3.823 1.00 0.00 C ATOM 970 O GLY A 67 14.434 -8.794 4.726 1.00 0.00 O ATOM 0 H GLY A 67 12.246 -7.950 5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.278 -10.698 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.803 -9.728 3.079 1.00 0.00 H new ATOM 974 N ALA A 68 14.297 -9.481 2.635 1.00 0.00 N ATOM 975 CA ALA A 68 15.715 -9.106 2.355 1.00 0.00 C ATOM 976 C ALA A 68 15.788 -7.625 1.977 1.00 0.00 C ATOM 977 O ALA A 68 16.423 -6.836 2.652 1.00 0.00 O ATOM 978 CB ALA A 68 16.249 -9.956 1.201 1.00 0.00 C ATOM 0 H ALA A 68 13.794 -9.887 1.846 1.00 0.00 H new ATOM 0 HA ALA A 68 16.319 -9.282 3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.284 -9.683 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.199 -11.010 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.645 -9.782 0.311 1.00 0.00 H new ATOM 984 N ASP A 69 15.141 -7.245 0.905 1.00 0.00 N ATOM 985 CA ASP A 69 15.166 -5.813 0.479 1.00 0.00 C ATOM 986 C ASP A 69 13.911 -5.108 0.998 1.00 0.00 C ATOM 987 O ASP A 69 13.290 -4.327 0.301 1.00 0.00 O ATOM 988 CB ASP A 69 15.213 -5.727 -1.052 1.00 0.00 C ATOM 989 CG ASP A 69 14.108 -6.594 -1.663 1.00 0.00 C ATOM 990 OD1 ASP A 69 13.080 -6.753 -1.024 1.00 0.00 O ATOM 991 OD2 ASP A 69 14.309 -7.085 -2.761 1.00 0.00 O ATOM 0 H ASP A 69 14.596 -7.865 0.306 1.00 0.00 H new ATOM 0 HA ASP A 69 16.052 -5.328 0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.091 -4.691 -1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.187 -6.058 -1.413 1.00 0.00 H new ATOM 996 N GLU A 70 13.537 -5.380 2.222 1.00 0.00 N ATOM 997 CA GLU A 70 12.324 -4.735 2.804 1.00 0.00 C ATOM 998 C GLU A 70 12.561 -3.228 2.959 1.00 0.00 C ATOM 999 O GLU A 70 11.630 -2.445 2.947 1.00 0.00 O ATOM 1000 CB GLU A 70 12.027 -5.349 4.178 1.00 0.00 C ATOM 1001 CG GLU A 70 13.294 -5.326 5.049 1.00 0.00 C ATOM 1002 CD GLU A 70 12.981 -4.689 6.404 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.146 -5.226 7.112 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.583 -3.672 6.711 1.00 0.00 O ATOM 0 H GLU A 70 14.023 -6.025 2.846 1.00 0.00 H new ATOM 0 HA GLU A 70 11.476 -4.900 2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.228 -4.793 4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.676 -6.374 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.667 -6.340 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.082 -4.765 4.546 1.00 0.00 H new ATOM 1011 N ASN A 71 13.798 -2.819 3.106 1.00 0.00 N ATOM 1012 CA ASN A 71 14.095 -1.365 3.262 1.00 0.00 C ATOM 1013 C ASN A 71 13.830 -0.643 1.940 1.00 0.00 C ATOM 1014 O ASN A 71 13.318 0.459 1.919 1.00 0.00 O ATOM 1015 CB ASN A 71 15.562 -1.180 3.653 1.00 0.00 C ATOM 1016 CG ASN A 71 15.688 -1.183 5.178 1.00 0.00 C ATOM 1017 OD1 ASN A 71 15.983 -2.200 5.773 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.476 -0.077 5.838 1.00 0.00 N ATOM 0 H ASN A 71 14.613 -3.431 3.124 1.00 0.00 H new ATOM 0 HA ASN A 71 13.455 -0.949 4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.167 -1.980 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.942 -0.242 3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.558 -0.066 6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.228 0.776 5.337 1.00 0.00 H new ATOM 1025 N ASP A 72 14.178 -1.258 0.840 1.00 0.00 N ATOM 1026 CA ASP A 72 13.953 -0.613 -0.487 1.00 0.00 C ATOM 1027 C ASP A 72 12.468 -0.687 -0.867 1.00 0.00 C ATOM 1028 O ASP A 72 12.007 0.052 -1.715 1.00 0.00 O ATOM 1029 CB ASP A 72 14.786 -1.336 -1.547 1.00 0.00 C ATOM 1030 CG ASP A 72 16.250 -1.380 -1.107 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.560 -2.165 -0.227 1.00 0.00 O ATOM 1032 OD2 ASP A 72 17.037 -0.627 -1.658 1.00 0.00 O ATOM 0 H ASP A 72 14.609 -2.182 0.804 1.00 0.00 H new ATOM 0 HA ASP A 72 14.252 0.434 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.409 -2.348 -1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.699 -0.823 -2.505 1.00 0.00 H new ATOM 1037 N ALA A 73 11.721 -1.578 -0.261 1.00 0.00 N ATOM 1038 CA ALA A 73 10.272 -1.707 -0.603 1.00 0.00 C ATOM 1039 C ALA A 73 9.447 -0.638 0.122 1.00 0.00 C ATOM 1040 O ALA A 73 8.489 -0.117 -0.421 1.00 0.00 O ATOM 1041 CB ALA A 73 9.777 -3.093 -0.190 1.00 0.00 C ATOM 0 H ALA A 73 12.054 -2.222 0.457 1.00 0.00 H new ATOM 0 HA ALA A 73 10.153 -1.571 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.720 -3.191 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.346 -3.856 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.911 -3.222 0.884 1.00 0.00 H new ATOM 1047 N LEU A 74 9.790 -0.318 1.348 1.00 0.00 N ATOM 1048 CA LEU A 74 9.000 0.704 2.104 1.00 0.00 C ATOM 1049 C LEU A 74 9.310 2.114 1.586 1.00 0.00 C ATOM 1050 O LEU A 74 8.438 2.962 1.540 1.00 0.00 O ATOM 1051 CB LEU A 74 9.323 0.612 3.602 1.00 0.00 C ATOM 1052 CG LEU A 74 10.813 0.875 3.840 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.025 2.348 4.210 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.310 -0.014 4.984 1.00 0.00 C ATOM 0 H LEU A 74 10.579 -0.719 1.855 1.00 0.00 H new ATOM 0 HA LEU A 74 7.939 0.505 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.726 1.337 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.056 -0.375 3.979 1.00 0.00 H new ATOM 0 HG LEU A 74 11.370 0.647 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.086 2.532 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.672 2.982 3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.468 2.579 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.370 0.172 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.751 0.214 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.163 -1.062 4.721 1.00 0.00 H new ATOM 1066 N ASN A 75 10.536 2.376 1.199 1.00 0.00 N ATOM 1067 CA ASN A 75 10.879 3.742 0.690 1.00 0.00 C ATOM 1068 C ASN A 75 10.531 3.849 -0.796 1.00 0.00 C ATOM 1069 O ASN A 75 10.258 4.924 -1.298 1.00 0.00 O ATOM 1070 CB ASN A 75 12.370 4.037 0.896 1.00 0.00 C ATOM 1071 CG ASN A 75 13.230 2.867 0.414 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.870 2.169 -0.511 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.369 2.629 1.008 1.00 0.00 N ATOM 0 H ASN A 75 11.308 1.709 1.213 1.00 0.00 H new ATOM 0 HA ASN A 75 10.298 4.474 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.644 4.942 0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.565 4.226 1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.956 1.856 0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.671 3.216 1.785 1.00 0.00 H new ATOM 1080 N ALA A 76 10.531 2.746 -1.500 1.00 0.00 N ATOM 1081 CA ALA A 76 10.192 2.780 -2.954 1.00 0.00 C ATOM 1082 C ALA A 76 8.680 2.946 -3.113 1.00 0.00 C ATOM 1083 O ALA A 76 8.207 3.541 -4.064 1.00 0.00 O ATOM 1084 CB ALA A 76 10.637 1.475 -3.616 1.00 0.00 C ATOM 0 H ALA A 76 10.752 1.822 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 76 10.705 3.616 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.389 1.502 -4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.714 1.356 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.126 0.635 -3.145 1.00 0.00 H new ATOM 1090 N LEU A 77 7.919 2.428 -2.181 1.00 0.00 N ATOM 1091 CA LEU A 77 6.434 2.557 -2.261 1.00 0.00 C ATOM 1092 C LEU A 77 6.032 3.955 -1.792 1.00 0.00 C ATOM 1093 O LEU A 77 5.048 4.510 -2.240 1.00 0.00 O ATOM 1094 CB LEU A 77 5.778 1.509 -1.359 1.00 0.00 C ATOM 1095 CG LEU A 77 5.705 0.170 -2.096 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.680 -0.971 -1.078 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.431 0.124 -2.943 1.00 0.00 C ATOM 0 H LEU A 77 8.265 1.920 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 77 6.106 2.402 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.350 1.398 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.777 1.834 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 77 6.576 0.062 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.628 -1.925 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.586 -0.938 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.808 -0.864 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.378 -0.829 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.560 0.231 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.447 0.938 -3.668 1.00 0.00 H new ATOM 1109 N GLU A 78 6.794 4.522 -0.893 1.00 0.00 N ATOM 1110 CA GLU A 78 6.480 5.885 -0.381 1.00 0.00 C ATOM 1111 C GLU A 78 6.608 6.899 -1.526 1.00 0.00 C ATOM 1112 O GLU A 78 5.720 7.697 -1.760 1.00 0.00 O ATOM 1113 CB GLU A 78 7.473 6.225 0.739 1.00 0.00 C ATOM 1114 CG GLU A 78 7.224 7.647 1.265 1.00 0.00 C ATOM 1115 CD GLU A 78 8.291 8.596 0.714 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.456 8.372 0.996 1.00 0.00 O ATOM 1117 OE2 GLU A 78 7.924 9.530 0.021 1.00 0.00 O ATOM 0 H GLU A 78 7.627 4.094 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 78 5.463 5.921 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.372 5.507 1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.494 6.142 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.232 7.987 0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.248 7.651 2.355 1.00 0.00 H new ATOM 1124 N GLU A 79 7.711 6.875 -2.232 1.00 0.00 N ATOM 1125 CA GLU A 79 7.909 7.839 -3.356 1.00 0.00 C ATOM 1126 C GLU A 79 6.857 7.597 -4.442 1.00 0.00 C ATOM 1127 O GLU A 79 6.420 8.518 -5.105 1.00 0.00 O ATOM 1128 CB GLU A 79 9.312 7.658 -3.947 1.00 0.00 C ATOM 1129 CG GLU A 79 9.502 6.209 -4.408 1.00 0.00 C ATOM 1130 CD GLU A 79 10.847 6.075 -5.124 1.00 0.00 C ATOM 1131 OE1 GLU A 79 11.002 6.678 -6.172 1.00 0.00 O ATOM 1132 OE2 GLU A 79 11.701 5.372 -4.611 1.00 0.00 O ATOM 0 H GLU A 79 8.484 6.228 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 79 7.804 8.856 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.452 8.337 -4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.065 7.913 -3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.465 5.536 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.691 5.919 -5.077 1.00 0.00 H new ATOM 1139 N THR A 80 6.454 6.367 -4.630 1.00 0.00 N ATOM 1140 CA THR A 80 5.434 6.058 -5.678 1.00 0.00 C ATOM 1141 C THR A 80 4.057 6.560 -5.233 1.00 0.00 C ATOM 1142 O THR A 80 3.207 6.863 -6.050 1.00 0.00 O ATOM 1143 CB THR A 80 5.375 4.545 -5.896 1.00 0.00 C ATOM 1144 OG1 THR A 80 6.687 4.048 -6.119 1.00 0.00 O ATOM 1145 CG2 THR A 80 4.495 4.235 -7.108 1.00 0.00 C ATOM 0 H THR A 80 6.788 5.561 -4.102 1.00 0.00 H new ATOM 0 HA THR A 80 5.713 6.555 -6.607 1.00 0.00 H new ATOM 0 HB THR A 80 4.952 4.067 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.208 4.118 -5.292 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.454 3.157 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.488 4.615 -6.933 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.914 4.712 -7.994 1.00 0.00 H new ATOM 1153 N MET A 81 3.829 6.645 -3.947 1.00 0.00 N ATOM 1154 CA MET A 81 2.507 7.120 -3.443 1.00 0.00 C ATOM 1155 C MET A 81 2.321 8.598 -3.797 1.00 0.00 C ATOM 1156 O MET A 81 1.327 8.984 -4.380 1.00 0.00 O ATOM 1157 CB MET A 81 2.450 6.948 -1.924 1.00 0.00 C ATOM 1158 CG MET A 81 2.275 5.466 -1.584 1.00 0.00 C ATOM 1159 SD MET A 81 0.511 5.071 -1.482 1.00 0.00 S ATOM 1160 CE MET A 81 0.655 3.676 -0.338 1.00 0.00 C ATOM 0 H MET A 81 4.505 6.405 -3.222 1.00 0.00 H new ATOM 0 HA MET A 81 1.712 6.536 -3.907 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.364 7.331 -1.470 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.623 7.527 -1.513 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.753 4.849 -2.345 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.764 5.240 -0.637 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.336 3.270 -0.132 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.279 2.902 -0.785 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.109 4.015 0.593 1.00 0.00 H new ATOM 1170 N LYS A 82 3.271 9.424 -3.441 1.00 0.00 N ATOM 1171 CA LYS A 82 3.157 10.882 -3.746 1.00 0.00 C ATOM 1172 C LYS A 82 3.412 11.133 -5.238 1.00 0.00 C ATOM 1173 O LYS A 82 3.016 12.150 -5.775 1.00 0.00 O ATOM 1174 CB LYS A 82 4.189 11.658 -2.922 1.00 0.00 C ATOM 1175 CG LYS A 82 4.040 11.300 -1.439 1.00 0.00 C ATOM 1176 CD LYS A 82 4.302 12.543 -0.579 1.00 0.00 C ATOM 1177 CE LYS A 82 5.146 12.161 0.640 1.00 0.00 C ATOM 1178 NZ LYS A 82 4.854 13.098 1.761 1.00 0.00 N ATOM 0 H LYS A 82 4.123 9.151 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 82 2.151 11.218 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.196 11.419 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.050 12.730 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.038 10.917 -1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.740 10.508 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.819 13.301 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.357 12.979 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.926 11.137 0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.206 12.198 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.709 13.226 2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.556 14.017 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.093 12.706 2.352 1.00 0.00 H new ATOM 1192 N SER A 83 4.075 10.221 -5.911 1.00 0.00 N ATOM 1193 CA SER A 83 4.360 10.413 -7.367 1.00 0.00 C ATOM 1194 C SER A 83 3.050 10.576 -8.144 1.00 0.00 C ATOM 1195 O SER A 83 2.913 11.464 -8.963 1.00 0.00 O ATOM 1196 CB SER A 83 5.118 9.197 -7.902 1.00 0.00 C ATOM 1197 OG SER A 83 4.236 8.083 -7.961 1.00 0.00 O ATOM 0 H SER A 83 4.431 9.352 -5.513 1.00 0.00 H new ATOM 0 HA SER A 83 4.965 11.311 -7.495 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.519 9.411 -8.893 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.967 8.970 -7.257 1.00 0.00 H new ATOM 0 HG SER A 83 3.770 7.989 -7.104 1.00 0.00 H new ATOM 1203 N GLU A 84 2.090 9.723 -7.892 1.00 0.00 N ATOM 1204 CA GLU A 84 0.787 9.822 -8.613 1.00 0.00 C ATOM 1205 C GLU A 84 -0.173 10.710 -7.819 1.00 0.00 C ATOM 1206 O GLU A 84 -0.621 11.735 -8.298 1.00 0.00 O ATOM 1207 CB GLU A 84 0.183 8.424 -8.766 1.00 0.00 C ATOM 1208 CG GLU A 84 0.745 7.761 -10.026 1.00 0.00 C ATOM 1209 CD GLU A 84 -0.328 6.871 -10.657 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.012 6.185 -9.915 1.00 0.00 O ATOM 1211 OE2 GLU A 84 -0.448 6.891 -11.870 1.00 0.00 O ATOM 0 H GLU A 84 2.153 8.961 -7.217 1.00 0.00 H new ATOM 0 HA GLU A 84 0.950 10.258 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.414 7.818 -7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.903 8.490 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.066 8.522 -10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.624 7.167 -9.776 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.492 10.320 -6.611 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.424 11.130 -5.778 1.00 0.00 C ATOM 1220 C GLY A 85 -2.422 10.203 -5.086 1.00 0.00 C ATOM 1221 O GLY A 85 -3.608 10.244 -5.352 1.00 0.00 O ATOM 0 H GLY A 85 -0.144 9.471 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.865 11.699 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.953 11.851 -6.401 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.946 9.363 -4.203 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.858 8.422 -3.489 1.00 0.00 C ATOM 1227 C LEU A 86 -2.961 8.826 -2.017 1.00 0.00 C ATOM 1228 O LEU A 86 -4.012 8.726 -1.411 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.298 7.002 -3.590 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.178 6.603 -5.062 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.487 5.243 -5.170 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.576 6.515 -5.683 1.00 0.00 C ATOM 0 H LEU A 86 -0.962 9.289 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.848 8.459 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.322 6.950 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.951 6.304 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.590 7.352 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.402 4.960 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.492 5.304 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.074 4.494 -4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.491 6.231 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.164 5.767 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.069 7.484 -5.609 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.878 9.279 -1.440 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.904 9.691 -0.005 1.00 0.00 C ATOM 1246 C GLY A 87 -0.561 10.319 0.373 1.00 0.00 C ATOM 1247 O GLY A 87 0.161 10.813 -0.473 1.00 0.00 O ATOM 0 H GLY A 87 -0.975 9.381 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.711 10.404 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.104 8.827 0.628 1.00 0.00 H new ATOM 1251 N GLU A 88 -0.225 10.304 1.637 1.00 0.00 N ATOM 1252 CA GLU A 88 1.070 10.899 2.082 1.00 0.00 C ATOM 1253 C GLU A 88 1.313 10.557 3.553 1.00 0.00 C ATOM 1254 O GLU A 88 2.161 9.720 3.813 1.00 0.00 O ATOM 1255 CB GLU A 88 1.026 12.421 1.906 1.00 0.00 C ATOM 1256 CG GLU A 88 -0.223 12.994 2.583 1.00 0.00 C ATOM 1257 CD GLU A 88 -0.582 14.333 1.939 1.00 0.00 C ATOM 1258 OE1 GLU A 88 0.289 15.078 1.532 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -1.836 14.675 1.828 1.00 0.00 O ATOM 1260 OXT GLU A 88 0.647 11.137 4.396 1.00 0.00 O ATOM 0 H GLU A 88 -0.794 9.904 2.383 1.00 0.00 H new ATOM 0 HA GLU A 88 1.881 10.491 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.921 12.871 2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.022 12.672 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.055 12.297 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.043 13.128 3.650 1.00 0.00 H new TER 1267 GLU A 88