USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 636 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 15 HIP H2 : A 15 HIP N : A 14 ILE C :(H bumps) USER MOD Set 1.1: A 34 ASN :FLIP amide:sc= -0.768 F(o=-2.6,f=-2) USER MOD Set 1.2: A 43 ASN : amide:sc= -1.23 K(o=-2,f=-3.8!) USER MOD Set 2.1: A 7 LYS NZ :NH3+ 154:sc= -0.306 (180deg=-1.06) USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 3 GLN : amide:sc= -0.528 K(o=-0.53,f=-1.3) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0719) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -160:sc= -0.109 USER MOD Single : A 20 THR OG1 : rot 71:sc= 0.629 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 91:sc= 0.579 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.743 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.23 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.0011) 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 45 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.034) 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 -93:sc= 1.08 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 75 ASN : amide:sc= -4.4 K(o=-4.4,f=-14!) USER MOD Single : A 80 THR OG1 : rot 74:sc= 0.59 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 16:sc= -1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -5.809 -9.787 -9.673 1.00 0.00 N ATOM 2 CA ALA A 2 -6.376 -9.250 -8.404 1.00 0.00 C ATOM 3 C ALA A 2 -5.599 -7.999 -7.988 1.00 0.00 C ATOM 4 O ALA A 2 -5.354 -7.770 -6.818 1.00 0.00 O ATOM 5 CB ALA A 2 -6.265 -10.311 -7.307 1.00 0.00 C ATOM 0 HA ALA A 2 -7.424 -8.992 -8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.680 -9.919 -6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.819 -11.201 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.217 -10.570 -7.156 1.00 0.00 H new ATOM 13 N GLN A 3 -5.214 -7.188 -8.941 1.00 0.00 N ATOM 14 CA GLN A 3 -4.450 -5.948 -8.613 1.00 0.00 C ATOM 15 C GLN A 3 -5.380 -4.738 -8.705 1.00 0.00 C ATOM 16 O GLN A 3 -6.355 -4.747 -9.432 1.00 0.00 O ATOM 17 CB GLN A 3 -3.292 -5.774 -9.600 1.00 0.00 C ATOM 18 CG GLN A 3 -3.807 -5.892 -11.037 1.00 0.00 C ATOM 19 CD GLN A 3 -3.580 -7.315 -11.552 1.00 0.00 C ATOM 20 OE1 GLN A 3 -4.522 -8.034 -11.822 1.00 0.00 O ATOM 21 NE2 GLN A 3 -2.361 -7.754 -11.705 1.00 0.00 N ATOM 0 H GLN A 3 -5.397 -7.332 -9.934 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.052 -6.029 -7.602 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.820 -4.802 -9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.529 -6.530 -9.415 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.868 -5.647 -11.074 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.292 -5.177 -11.678 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.570 -7.151 -11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.199 -8.700 -12.051 1.00 0.00 H new ATOM 30 N LYS A 4 -5.081 -3.698 -7.969 1.00 0.00 N ATOM 31 CA LYS A 4 -5.942 -2.478 -8.006 1.00 0.00 C ATOM 32 C LYS A 4 -5.058 -1.230 -7.932 1.00 0.00 C ATOM 33 O LYS A 4 -3.999 -1.244 -7.333 1.00 0.00 O ATOM 34 CB LYS A 4 -6.912 -2.503 -6.816 1.00 0.00 C ATOM 35 CG LYS A 4 -8.334 -2.197 -7.297 1.00 0.00 C ATOM 36 CD LYS A 4 -9.341 -2.900 -6.387 1.00 0.00 C ATOM 37 CE LYS A 4 -10.738 -2.329 -6.633 1.00 0.00 C ATOM 38 NZ LYS A 4 -11.191 -2.695 -8.005 1.00 0.00 N ATOM 0 H LYS A 4 -4.277 -3.641 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.513 -2.458 -8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.884 -3.480 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.605 -1.770 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.509 -1.121 -7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.462 -2.532 -8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.336 -3.972 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.060 -2.764 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.437 -2.718 -5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.724 -1.245 -6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.183 -2.410 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.600 -2.207 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.107 -3.723 -8.136 1.00 0.00 H new ATOM 52 N THR A 5 -5.489 -0.151 -8.536 1.00 0.00 N ATOM 53 CA THR A 5 -4.680 1.104 -8.508 1.00 0.00 C ATOM 54 C THR A 5 -5.076 1.939 -7.289 1.00 0.00 C ATOM 55 O THR A 5 -6.187 1.852 -6.800 1.00 0.00 O ATOM 56 CB THR A 5 -4.941 1.908 -9.785 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.884 1.039 -10.908 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.881 3.001 -9.928 1.00 0.00 C ATOM 0 H THR A 5 -6.369 -0.086 -9.048 1.00 0.00 H new ATOM 0 HA THR A 5 -3.621 0.853 -8.447 1.00 0.00 H new ATOM 0 HB THR A 5 -5.927 2.368 -9.731 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.052 1.551 -11.727 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.068 3.572 -10.837 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.926 3.666 -9.066 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.893 2.544 -9.983 1.00 0.00 H new ATOM 66 N PHE A 6 -4.170 2.746 -6.796 1.00 0.00 N ATOM 67 CA PHE A 6 -4.482 3.591 -5.605 1.00 0.00 C ATOM 68 C PHE A 6 -3.819 4.961 -5.766 1.00 0.00 C ATOM 69 O PHE A 6 -2.739 5.077 -6.314 1.00 0.00 O ATOM 70 CB PHE A 6 -3.943 2.914 -4.344 1.00 0.00 C ATOM 71 CG PHE A 6 -4.793 1.712 -4.011 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.518 0.473 -4.602 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.856 1.835 -3.108 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.305 -0.642 -4.290 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.643 0.720 -2.797 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.367 -0.518 -3.388 1.00 0.00 C ATOM 0 H PHE A 6 -3.227 2.856 -7.168 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.562 3.714 -5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.908 2.609 -4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.948 3.617 -3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.698 0.377 -5.299 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.069 2.790 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.092 -1.598 -4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.463 0.815 -2.101 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.974 -1.378 -3.148 1.00 0.00 H new ATOM 86 N LYS A 7 -4.458 5.998 -5.285 1.00 0.00 N ATOM 87 CA LYS A 7 -3.871 7.365 -5.401 1.00 0.00 C ATOM 88 C LYS A 7 -3.349 7.804 -4.029 1.00 0.00 C ATOM 89 O LYS A 7 -4.062 7.771 -3.044 1.00 0.00 O ATOM 90 CB LYS A 7 -4.949 8.345 -5.888 1.00 0.00 C ATOM 91 CG LYS A 7 -4.464 9.070 -7.148 1.00 0.00 C ATOM 92 CD LYS A 7 -3.314 10.015 -6.789 1.00 0.00 C ATOM 93 CE LYS A 7 -3.853 11.436 -6.609 1.00 0.00 C ATOM 94 NZ LYS A 7 -4.552 11.540 -5.297 1.00 0.00 N ATOM 0 H LYS A 7 -5.363 5.955 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.049 7.356 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.873 7.807 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.175 9.069 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.133 8.345 -7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.284 9.633 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.828 9.681 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.558 9.999 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.035 12.155 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.540 11.681 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.529 12.527 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.540 11.234 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.075 10.932 -4.601 1.00 0.00 H new ATOM 108 N VAL A 8 -2.108 8.211 -3.963 1.00 0.00 N ATOM 109 CA VAL A 8 -1.526 8.652 -2.661 1.00 0.00 C ATOM 110 C VAL A 8 -1.934 10.100 -2.382 1.00 0.00 C ATOM 111 O VAL A 8 -1.568 11.006 -3.108 1.00 0.00 O ATOM 112 CB VAL A 8 -0.001 8.553 -2.724 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.589 8.858 -1.347 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.400 7.137 -3.147 1.00 0.00 C ATOM 0 H VAL A 8 -1.471 8.257 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.898 8.011 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 8 0.379 9.272 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.676 8.787 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.304 9.865 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.209 8.139 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.487 7.065 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.019 6.419 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.019 6.918 -4.129 1.00 0.00 H new ATOM 124 N THR A 9 -2.689 10.321 -1.336 1.00 0.00 N ATOM 125 CA THR A 9 -3.128 11.707 -0.999 1.00 0.00 C ATOM 126 C THR A 9 -2.938 11.960 0.500 1.00 0.00 C ATOM 127 O THR A 9 -3.624 12.774 1.089 1.00 0.00 O ATOM 128 CB THR A 9 -4.607 11.872 -1.359 1.00 0.00 C ATOM 129 OG1 THR A 9 -4.900 11.100 -2.515 1.00 0.00 O ATOM 130 CG2 THR A 9 -4.908 13.345 -1.638 1.00 0.00 C ATOM 0 H THR A 9 -3.021 9.597 -0.699 1.00 0.00 H new ATOM 0 HA THR A 9 -2.530 12.423 -1.564 1.00 0.00 H new ATOM 0 HB THR A 9 -5.223 11.531 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.847 11.203 -2.746 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.961 13.459 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.684 13.937 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.293 13.691 -2.469 1.00 0.00 H new ATOM 138 N ALA A 10 -2.013 11.268 1.121 1.00 0.00 N ATOM 139 CA ALA A 10 -1.775 11.465 2.579 1.00 0.00 C ATOM 140 C ALA A 10 -0.975 12.752 2.796 1.00 0.00 C ATOM 141 O ALA A 10 -0.393 13.291 1.874 1.00 0.00 O ATOM 142 CB ALA A 10 -0.995 10.269 3.135 1.00 0.00 C ATOM 0 H ALA A 10 -1.413 10.574 0.676 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.730 11.544 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.821 10.412 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.570 9.356 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.039 10.187 2.619 1.00 0.00 H new ATOM 148 N ASP A 11 -0.941 13.243 4.008 1.00 0.00 N ATOM 149 CA ASP A 11 -0.177 14.493 4.294 1.00 0.00 C ATOM 150 C ASP A 11 1.322 14.209 4.173 1.00 0.00 C ATOM 151 O ASP A 11 2.090 15.053 3.751 1.00 0.00 O ATOM 152 CB ASP A 11 -0.495 14.974 5.712 1.00 0.00 C ATOM 153 CG ASP A 11 -0.235 13.840 6.706 1.00 0.00 C ATOM 154 OD1 ASP A 11 0.919 13.622 7.037 1.00 0.00 O ATOM 155 OD2 ASP A 11 -1.195 13.211 7.120 1.00 0.00 O ATOM 0 H ASP A 11 -1.411 12.830 4.814 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.460 15.266 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.121 15.838 5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.535 15.295 5.774 1.00 0.00 H new ATOM 160 N SER A 12 1.738 13.024 4.538 1.00 0.00 N ATOM 161 CA SER A 12 3.186 12.672 4.446 1.00 0.00 C ATOM 162 C SER A 12 3.384 11.563 3.406 1.00 0.00 C ATOM 163 O SER A 12 4.348 10.822 3.459 1.00 0.00 O ATOM 164 CB SER A 12 3.679 12.184 5.810 1.00 0.00 C ATOM 165 OG SER A 12 3.190 10.871 6.047 1.00 0.00 O ATOM 0 H SER A 12 1.136 12.283 4.897 1.00 0.00 H new ATOM 0 HA SER A 12 3.753 13.553 4.146 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.769 12.189 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.337 12.858 6.595 1.00 0.00 H new ATOM 0 HG SER A 12 3.223 10.678 7.007 1.00 0.00 H new ATOM 171 N GLY A 13 2.480 11.441 2.464 1.00 0.00 N ATOM 172 CA GLY A 13 2.616 10.379 1.421 1.00 0.00 C ATOM 173 C GLY A 13 2.591 9.001 2.086 1.00 0.00 C ATOM 174 O GLY A 13 1.820 8.757 2.995 1.00 0.00 O ATOM 0 H GLY A 13 1.654 12.032 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.805 10.460 0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.548 10.512 0.871 1.00 0.00 H new ATOM 178 N ILE A 14 3.429 8.102 1.636 1.00 0.00 N ATOM 179 CA ILE A 14 3.463 6.735 2.235 1.00 0.00 C ATOM 180 C ILE A 14 4.868 6.452 2.770 1.00 0.00 C ATOM 181 O ILE A 14 5.703 5.898 2.079 1.00 0.00 O ATOM 182 CB ILE A 14 3.109 5.698 1.167 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.798 6.094 0.481 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.944 4.326 1.822 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.571 5.197 -0.738 1.00 0.00 C ATOM 0 H ILE A 14 4.093 8.257 0.877 1.00 0.00 H new ATOM 0 HA ILE A 14 2.741 6.677 3.050 1.00 0.00 H new ATOM 0 HB ILE A 14 3.908 5.655 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.966 5.996 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.836 7.139 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.692 3.587 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.876 4.041 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.146 4.370 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.638 5.477 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.398 5.317 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.514 4.156 -0.419 1.00 0.00 H new HETATM 197 N HIP A 15 5.133 6.831 3.995 1.00 0.00 N HETATM 198 CA HIP A 15 6.482 6.589 4.582 1.00 0.00 C HETATM 199 CB HIP A 15 7.001 7.881 5.250 1.00 0.00 C HETATM 200 CG HIP A 15 6.221 8.233 6.490 1.00 0.00 C HETATM 201 CD2 HIP A 15 4.888 8.478 6.694 1.00 0.00 C HETATM 202 NE2 HIP A 15 4.671 8.792 8.024 1.00 0.00 N HETATM 203 CE1 HIP A 15 5.868 8.737 8.605 1.00 0.00 C HETATM 204 ND1 HIP A 15 6.839 8.407 7.730 1.00 0.00 N HETATM 205 P HIP A 15 8.280 8.704 7.933 1.00 0.00 P HETATM 206 O1P HIP A 15 9.067 7.453 7.991 1.00 0.00 O HETATM 207 O2P HIP A 15 8.465 9.481 9.179 1.00 0.00 O HETATM 208 O3P HIP A 15 8.603 9.508 6.733 1.00 0.00 O HETATM 209 C HIP A 15 6.417 5.394 5.562 1.00 0.00 C HETATM 210 O HIP A 15 5.763 4.408 5.279 1.00 0.00 O HETATM 0 HE2 HIP A 15 3.780 9.018 8.467 1.00 0.00 H new HETATM 0 HE1 HIP A 15 6.042 8.935 9.663 1.00 0.00 H new HETATM 0 HD2 HIP A 15 4.116 8.432 5.926 1.00 0.00 H new HETATM 0 HB3 HIP A 15 8.053 7.758 5.507 1.00 0.00 H new HETATM 0 HB2 HIP A 15 6.941 8.705 4.539 1.00 0.00 H new HETATM 0 HA HIP A 15 7.193 6.325 3.799 1.00 0.00 H new HETATM 0 H HIP A 15 4.699 7.751 4.075 1.00 0.00 H new ATOM 218 N ALA A 16 7.105 5.446 6.681 1.00 0.00 N ATOM 219 CA ALA A 16 7.098 4.285 7.630 1.00 0.00 C ATOM 220 C ALA A 16 5.763 4.164 8.383 1.00 0.00 C ATOM 221 O ALA A 16 5.285 3.069 8.607 1.00 0.00 O ATOM 222 CB ALA A 16 8.232 4.459 8.642 1.00 0.00 C ATOM 0 H ALA A 16 7.670 6.242 6.977 1.00 0.00 H new ATOM 0 HA ALA A 16 7.236 3.375 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.233 3.618 9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.186 4.497 8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.086 5.386 9.196 1.00 0.00 H new ATOM 228 N ARG A 17 5.169 5.258 8.799 1.00 0.00 N ATOM 229 CA ARG A 17 3.879 5.170 9.561 1.00 0.00 C ATOM 230 C ARG A 17 2.818 4.383 8.757 1.00 0.00 C ATOM 231 O ARG A 17 2.260 3.431 9.271 1.00 0.00 O ATOM 232 CB ARG A 17 3.357 6.579 9.877 1.00 0.00 C ATOM 233 CG ARG A 17 2.913 6.652 11.342 1.00 0.00 C ATOM 234 CD ARG A 17 4.044 7.232 12.194 1.00 0.00 C ATOM 235 NE ARG A 17 4.921 6.130 12.676 1.00 0.00 N ATOM 236 CZ ARG A 17 5.505 6.222 13.840 1.00 0.00 C ATOM 237 NH1 ARG A 17 4.788 6.355 14.922 1.00 0.00 N ATOM 238 NH2 ARG A 17 6.807 6.182 13.922 1.00 0.00 N ATOM 0 H ARG A 17 5.518 6.204 8.646 1.00 0.00 H new ATOM 0 HA ARG A 17 4.068 4.639 10.494 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.137 7.317 9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.521 6.822 9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.022 7.273 11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.647 5.658 11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.626 7.944 11.608 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.631 7.779 13.042 1.00 0.00 H new ATOM 0 HE ARG A 17 5.066 5.303 12.097 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.770 6.387 14.859 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.245 6.427 15.831 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.368 6.079 13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.263 6.254 14.831 1.00 0.00 H new ATOM 252 N PRO A 18 2.557 4.779 7.521 1.00 0.00 N ATOM 253 CA PRO A 18 1.561 4.078 6.691 1.00 0.00 C ATOM 254 C PRO A 18 2.115 2.732 6.212 1.00 0.00 C ATOM 255 O PRO A 18 1.368 1.833 5.876 1.00 0.00 O ATOM 256 CB PRO A 18 1.315 5.034 5.522 1.00 0.00 C ATOM 257 CG PRO A 18 2.554 5.952 5.442 1.00 0.00 C ATOM 258 CD PRO A 18 3.214 5.919 6.833 1.00 0.00 C ATOM 0 HA PRO A 18 0.642 3.845 7.229 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.179 4.483 4.591 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.409 5.618 5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.246 5.603 4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.267 6.968 5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.292 5.772 6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.056 6.854 7.371 1.00 0.00 H new ATOM 266 N ALA A 19 3.417 2.581 6.194 1.00 0.00 N ATOM 267 CA ALA A 19 4.018 1.288 5.756 1.00 0.00 C ATOM 268 C ALA A 19 3.805 0.235 6.850 1.00 0.00 C ATOM 269 O ALA A 19 3.798 -0.953 6.582 1.00 0.00 O ATOM 270 CB ALA A 19 5.517 1.478 5.515 1.00 0.00 C ATOM 0 H ALA A 19 4.088 3.300 6.465 1.00 0.00 H new ATOM 0 HA ALA A 19 3.542 0.957 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.957 0.533 5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.669 2.230 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.995 1.806 6.438 1.00 0.00 H new ATOM 276 N THR A 20 3.627 0.661 8.079 1.00 0.00 N ATOM 277 CA THR A 20 3.410 -0.308 9.192 1.00 0.00 C ATOM 278 C THR A 20 1.927 -0.680 9.252 1.00 0.00 C ATOM 279 O THR A 20 1.569 -1.782 9.625 1.00 0.00 O ATOM 280 CB THR A 20 3.829 0.333 10.516 1.00 0.00 C ATOM 281 OG1 THR A 20 4.885 1.254 10.281 1.00 0.00 O ATOM 282 CG2 THR A 20 4.301 -0.752 11.484 1.00 0.00 C ATOM 0 H THR A 20 3.623 1.643 8.356 1.00 0.00 H new ATOM 0 HA THR A 20 4.007 -1.204 9.020 1.00 0.00 H new ATOM 0 HB THR A 20 2.979 0.858 10.951 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.535 2.041 9.815 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.599 -0.294 12.427 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.490 -1.457 11.664 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.151 -1.280 11.052 1.00 0.00 H new ATOM 290 N VAL A 21 1.066 0.231 8.881 1.00 0.00 N ATOM 291 CA VAL A 21 -0.398 -0.058 8.906 1.00 0.00 C ATOM 292 C VAL A 21 -0.738 -1.005 7.760 1.00 0.00 C ATOM 293 O VAL A 21 -1.604 -1.855 7.867 1.00 0.00 O ATOM 294 CB VAL A 21 -1.177 1.240 8.716 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.670 0.975 8.920 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.700 2.284 9.728 1.00 0.00 C ATOM 0 H VAL A 21 1.315 1.167 8.560 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.663 -0.511 9.861 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.008 1.615 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.226 1.903 8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.011 0.238 8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.838 0.596 9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.260 3.209 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.863 1.911 10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.362 2.477 9.579 1.00 0.00 H new ATOM 306 N LEU A 22 -0.065 -0.841 6.658 1.00 0.00 N ATOM 307 CA LEU A 22 -0.325 -1.691 5.469 1.00 0.00 C ATOM 308 C LEU A 22 0.325 -3.066 5.639 1.00 0.00 C ATOM 309 O LEU A 22 -0.270 -4.076 5.325 1.00 0.00 O ATOM 310 CB LEU A 22 0.268 -0.997 4.248 1.00 0.00 C ATOM 311 CG LEU A 22 -0.461 0.323 4.005 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.238 1.076 2.871 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.911 0.038 3.608 1.00 0.00 C ATOM 0 H LEU A 22 0.666 -0.142 6.530 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.399 -1.831 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.331 -0.814 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.179 -1.640 3.372 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.446 0.926 4.913 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.276 2.020 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.273 1.274 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.215 0.471 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.432 0.979 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.928 -0.560 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.407 -0.509 4.410 1.00 0.00 H new ATOM 325 N VAL A 23 1.541 -3.115 6.122 1.00 0.00 N ATOM 326 CA VAL A 23 2.225 -4.432 6.299 1.00 0.00 C ATOM 327 C VAL A 23 1.435 -5.296 7.296 1.00 0.00 C ATOM 328 O VAL A 23 1.474 -6.511 7.241 1.00 0.00 O ATOM 329 CB VAL A 23 3.657 -4.201 6.810 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.617 -3.495 8.167 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.377 -5.544 6.957 1.00 0.00 C ATOM 0 H VAL A 23 2.089 -2.301 6.401 1.00 0.00 H new ATOM 0 HA VAL A 23 2.270 -4.953 5.343 1.00 0.00 H new ATOM 0 HB VAL A 23 4.193 -3.578 6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.634 -3.334 8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.113 -2.534 8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.075 -4.113 8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.391 -5.375 7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.837 -6.170 7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.416 -6.044 5.989 1.00 0.00 H new ATOM 341 N GLN A 24 0.729 -4.674 8.207 1.00 0.00 N ATOM 342 CA GLN A 24 -0.057 -5.449 9.214 1.00 0.00 C ATOM 343 C GLN A 24 -1.280 -6.089 8.546 1.00 0.00 C ATOM 344 O GLN A 24 -1.530 -7.269 8.699 1.00 0.00 O ATOM 345 CB GLN A 24 -0.520 -4.509 10.332 1.00 0.00 C ATOM 346 CG GLN A 24 0.670 -4.132 11.227 1.00 0.00 C ATOM 347 CD GLN A 24 0.459 -4.688 12.639 1.00 0.00 C ATOM 348 OE1 GLN A 24 0.065 -3.968 13.535 1.00 0.00 O ATOM 349 NE2 GLN A 24 0.706 -5.948 12.876 1.00 0.00 N ATOM 0 H GLN A 24 0.663 -3.660 8.296 1.00 0.00 H new ATOM 0 HA GLN A 24 0.573 -6.234 9.631 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.962 -3.610 9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.295 -4.992 10.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.593 -4.529 10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.777 -3.048 11.266 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.037 -6.553 12.124 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.568 -6.327 13.813 1.00 0.00 H new ATOM 358 N THR A 25 -2.046 -5.316 7.818 1.00 0.00 N ATOM 359 CA THR A 25 -3.262 -5.874 7.147 1.00 0.00 C ATOM 360 C THR A 25 -2.856 -6.966 6.150 1.00 0.00 C ATOM 361 O THR A 25 -3.285 -8.099 6.251 1.00 0.00 O ATOM 362 CB THR A 25 -3.992 -4.753 6.404 1.00 0.00 C ATOM 363 OG1 THR A 25 -4.155 -3.641 7.272 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.365 -5.251 5.947 1.00 0.00 C ATOM 0 H THR A 25 -1.883 -4.322 7.659 1.00 0.00 H new ATOM 0 HA THR A 25 -3.920 -6.305 7.901 1.00 0.00 H new ATOM 0 HB THR A 25 -3.409 -4.453 5.533 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.621 -2.921 6.797 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.884 -4.452 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.239 -6.105 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.951 -5.551 6.816 1.00 0.00 H new ATOM 372 N ALA A 26 -2.041 -6.625 5.184 1.00 0.00 N ATOM 373 CA ALA A 26 -1.604 -7.627 4.164 1.00 0.00 C ATOM 374 C ALA A 26 -0.897 -8.806 4.842 1.00 0.00 C ATOM 375 O ALA A 26 -0.839 -9.893 4.298 1.00 0.00 O ATOM 376 CB ALA A 26 -0.641 -6.960 3.182 1.00 0.00 C ATOM 0 H ALA A 26 -1.657 -5.689 5.057 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.482 -7.998 3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.320 -7.687 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.144 -6.130 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.229 -6.586 3.722 1.00 0.00 H new ATOM 382 N SER A 27 -0.357 -8.605 6.021 1.00 0.00 N ATOM 383 CA SER A 27 0.347 -9.719 6.728 1.00 0.00 C ATOM 384 C SER A 27 -0.632 -10.875 6.963 1.00 0.00 C ATOM 385 O SER A 27 -0.280 -12.033 6.838 1.00 0.00 O ATOM 386 CB SER A 27 0.884 -9.212 8.071 1.00 0.00 C ATOM 387 OG SER A 27 2.295 -9.055 7.982 1.00 0.00 O ATOM 0 H SER A 27 -0.374 -7.717 6.523 1.00 0.00 H new ATOM 0 HA SER A 27 1.179 -10.071 6.118 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.416 -8.262 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.634 -9.915 8.865 1.00 0.00 H new ATOM 0 HG SER A 27 2.505 -8.141 7.699 1.00 0.00 H new ATOM 393 N LYS A 28 -1.858 -10.562 7.295 1.00 0.00 N ATOM 394 CA LYS A 28 -2.872 -11.630 7.533 1.00 0.00 C ATOM 395 C LYS A 28 -3.150 -12.371 6.223 1.00 0.00 C ATOM 396 O LYS A 28 -3.493 -13.539 6.224 1.00 0.00 O ATOM 397 CB LYS A 28 -4.166 -10.997 8.048 1.00 0.00 C ATOM 398 CG LYS A 28 -3.980 -10.562 9.503 1.00 0.00 C ATOM 399 CD LYS A 28 -3.374 -9.158 9.544 1.00 0.00 C ATOM 400 CE LYS A 28 -3.931 -8.395 10.746 1.00 0.00 C ATOM 401 NZ LYS A 28 -3.006 -8.546 11.904 1.00 0.00 N ATOM 0 H LYS A 28 -2.201 -9.608 7.412 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.493 -12.334 8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.433 -10.138 7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.987 -11.710 7.973 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.939 -10.571 10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.330 -11.265 10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.288 -9.221 9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.605 -8.624 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.050 -7.340 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.919 -8.775 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.385 -8.027 12.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.914 -9.553 12.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.072 -8.163 11.654 1.00 0.00 H new ATOM 415 N TYR A 29 -3.006 -11.701 5.105 1.00 0.00 N ATOM 416 CA TYR A 29 -3.260 -12.365 3.793 1.00 0.00 C ATOM 417 C TYR A 29 -1.967 -13.003 3.284 1.00 0.00 C ATOM 418 O TYR A 29 -0.983 -12.329 3.046 1.00 0.00 O ATOM 419 CB TYR A 29 -3.755 -11.330 2.776 1.00 0.00 C ATOM 420 CG TYR A 29 -5.056 -10.739 3.264 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.253 -11.443 3.085 1.00 0.00 C ATOM 422 CD2 TYR A 29 -5.068 -9.491 3.897 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.461 -10.898 3.538 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.275 -8.945 4.349 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.471 -9.649 4.170 1.00 0.00 C ATOM 426 OH TYR A 29 -8.661 -9.112 4.618 1.00 0.00 O ATOM 0 H TYR A 29 -2.723 -10.723 5.047 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.020 -13.136 3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.011 -10.544 2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.897 -11.798 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.245 -12.407 2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.145 -8.948 4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.384 -11.441 3.400 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.283 -7.981 4.836 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.475 -8.373 5.234 1.00 0.00 H new ATOM 436 N ASP A 30 -1.966 -14.300 3.121 1.00 0.00 N ATOM 437 CA ASP A 30 -0.745 -15.002 2.631 1.00 0.00 C ATOM 438 C ASP A 30 -0.428 -14.574 1.191 1.00 0.00 C ATOM 439 O ASP A 30 0.662 -14.800 0.701 1.00 0.00 O ATOM 440 CB ASP A 30 -0.977 -16.514 2.669 1.00 0.00 C ATOM 441 CG ASP A 30 -1.234 -16.955 4.111 1.00 0.00 C ATOM 442 OD1 ASP A 30 -0.275 -17.052 4.859 1.00 0.00 O ATOM 443 OD2 ASP A 30 -2.384 -17.188 4.443 1.00 0.00 O ATOM 0 H ASP A 30 -2.765 -14.906 3.308 1.00 0.00 H new ATOM 0 HA ASP A 30 0.095 -14.740 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.827 -16.778 2.040 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.109 -17.036 2.267 1.00 0.00 H new ATOM 448 N ALA A 31 -1.368 -13.960 0.506 1.00 0.00 N ATOM 449 CA ALA A 31 -1.115 -13.522 -0.901 1.00 0.00 C ATOM 450 C ALA A 31 0.089 -12.575 -0.944 1.00 0.00 C ATOM 451 O ALA A 31 0.333 -11.826 -0.018 1.00 0.00 O ATOM 452 CB ALA A 31 -2.352 -12.798 -1.439 1.00 0.00 C ATOM 0 H ALA A 31 -2.299 -13.745 0.864 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.905 -14.397 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.169 -12.478 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.207 -13.473 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.562 -11.926 -0.819 1.00 0.00 H new ATOM 458 N ASP A 32 0.839 -12.610 -2.015 1.00 0.00 N ATOM 459 CA ASP A 32 2.032 -11.721 -2.131 1.00 0.00 C ATOM 460 C ASP A 32 1.617 -10.395 -2.771 1.00 0.00 C ATOM 461 O ASP A 32 1.700 -10.224 -3.973 1.00 0.00 O ATOM 462 CB ASP A 32 3.090 -12.397 -3.004 1.00 0.00 C ATOM 463 CG ASP A 32 3.950 -13.324 -2.142 1.00 0.00 C ATOM 464 OD1 ASP A 32 4.460 -12.859 -1.136 1.00 0.00 O ATOM 465 OD2 ASP A 32 4.083 -14.481 -2.502 1.00 0.00 O ATOM 0 H ASP A 32 0.675 -13.219 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 32 2.444 -11.535 -1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.610 -12.966 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.716 -11.644 -3.483 1.00 0.00 H new ATOM 470 N VAL A 33 1.172 -9.458 -1.973 1.00 0.00 N ATOM 471 CA VAL A 33 0.750 -8.137 -2.524 1.00 0.00 C ATOM 472 C VAL A 33 1.956 -7.189 -2.553 1.00 0.00 C ATOM 473 O VAL A 33 2.552 -6.901 -1.533 1.00 0.00 O ATOM 474 CB VAL A 33 -0.381 -7.554 -1.655 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.530 -8.569 -1.548 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.139 -7.235 -0.247 1.00 0.00 C ATOM 0 H VAL A 33 1.083 -9.552 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 33 0.378 -8.260 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.740 -6.637 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.327 -8.152 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.916 -8.787 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.162 -9.488 -1.092 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.671 -6.824 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.511 -8.148 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.947 -6.507 -0.314 1.00 0.00 H new ATOM 486 N ASN A 34 2.321 -6.713 -3.717 1.00 0.00 N ATOM 487 CA ASN A 34 3.493 -5.793 -3.823 1.00 0.00 C ATOM 488 C ASN A 34 3.024 -4.392 -4.220 1.00 0.00 C ATOM 489 O ASN A 34 2.244 -4.225 -5.139 1.00 0.00 O ATOM 490 CB ASN A 34 4.459 -6.325 -4.884 1.00 0.00 C ATOM 491 CG ASN A 34 5.132 -7.599 -4.371 1.00 0.00 C ATOM 492 OD1 ASN A 34 6.392 -7.566 -4.034 1.00 0.00 O flip ATOM 493 ND2 ASN A 34 4.503 -8.635 -4.276 1.00 0.00 N flip ATOM 0 H ASN A 34 1.856 -6.923 -4.600 1.00 0.00 H new ATOM 0 HA ASN A 34 3.996 -5.741 -2.858 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.921 -6.533 -5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.212 -5.572 -5.116 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.518 -8.660 -4.540 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.960 -9.480 -3.933 1.00 0.00 H new ATOM 500 N LEU A 35 3.504 -3.385 -3.535 1.00 0.00 N ATOM 501 CA LEU A 35 3.103 -1.986 -3.863 1.00 0.00 C ATOM 502 C LEU A 35 4.077 -1.419 -4.899 1.00 0.00 C ATOM 503 O LEU A 35 5.278 -1.580 -4.782 1.00 0.00 O ATOM 504 CB LEU A 35 3.150 -1.131 -2.595 1.00 0.00 C ATOM 505 CG LEU A 35 2.255 0.097 -2.770 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.895 0.665 -1.396 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.001 1.160 -3.580 1.00 0.00 C ATOM 0 H LEU A 35 4.160 -3.474 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 35 2.090 -1.977 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.818 -1.716 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.175 -0.820 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 35 1.344 -0.189 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.257 1.540 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.365 -0.091 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.806 0.951 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.364 2.036 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.912 1.446 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.260 0.756 -4.559 1.00 0.00 H new ATOM 519 N GLU A 36 3.571 -0.763 -5.911 1.00 0.00 N ATOM 520 CA GLU A 36 4.465 -0.188 -6.960 1.00 0.00 C ATOM 521 C GLU A 36 4.546 1.331 -6.794 1.00 0.00 C ATOM 522 O GLU A 36 3.561 1.984 -6.504 1.00 0.00 O ATOM 523 CB GLU A 36 3.903 -0.519 -8.344 1.00 0.00 C ATOM 524 CG GLU A 36 4.937 -0.165 -9.414 1.00 0.00 C ATOM 525 CD GLU A 36 4.488 -0.729 -10.763 1.00 0.00 C ATOM 526 OE1 GLU A 36 3.524 -0.219 -11.305 1.00 0.00 O ATOM 527 OE2 GLU A 36 5.118 -1.663 -11.230 1.00 0.00 O ATOM 0 H GLU A 36 2.575 -0.600 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 36 5.462 -0.615 -6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.652 -1.578 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.981 0.037 -8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.052 0.917 -9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.911 -0.573 -9.143 1.00 0.00 H new ATOM 534 N TYR A 37 5.714 1.894 -6.980 1.00 0.00 N ATOM 535 CA TYR A 37 5.867 3.372 -6.840 1.00 0.00 C ATOM 536 C TYR A 37 6.816 3.893 -7.922 1.00 0.00 C ATOM 537 O TYR A 37 7.998 4.066 -7.694 1.00 0.00 O ATOM 538 CB TYR A 37 6.436 3.700 -5.455 1.00 0.00 C ATOM 539 CG TYR A 37 6.479 5.199 -5.264 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.329 5.970 -5.482 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.671 5.819 -4.869 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.371 7.358 -5.305 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.713 7.207 -4.692 1.00 0.00 C ATOM 544 CZ TYR A 37 6.563 7.977 -4.910 1.00 0.00 C ATOM 545 OH TYR A 37 6.606 9.345 -4.735 1.00 0.00 O ATOM 0 H TYR A 37 6.568 1.392 -7.223 1.00 0.00 H new ATOM 0 HA TYR A 37 4.894 3.849 -6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.820 3.243 -4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.438 3.282 -5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.409 5.493 -5.787 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.558 5.226 -4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.484 7.951 -5.473 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.632 7.685 -4.387 1.00 0.00 H new ATOM 0 HH TYR A 37 7.508 9.611 -4.459 1.00 0.00 H new ATOM 555 N ASN A 38 6.298 4.154 -9.096 1.00 0.00 N ATOM 556 CA ASN A 38 7.153 4.677 -10.206 1.00 0.00 C ATOM 557 C ASN A 38 8.278 3.681 -10.519 1.00 0.00 C ATOM 558 O ASN A 38 9.442 4.038 -10.569 1.00 0.00 O ATOM 559 CB ASN A 38 7.753 6.026 -9.794 1.00 0.00 C ATOM 560 CG ASN A 38 7.884 6.923 -11.026 1.00 0.00 C ATOM 561 OD1 ASN A 38 8.871 6.865 -11.733 1.00 0.00 O ATOM 562 ND2 ASN A 38 6.924 7.758 -11.316 1.00 0.00 N ATOM 0 H ASN A 38 5.315 4.027 -9.335 1.00 0.00 H new ATOM 0 HA ASN A 38 6.542 4.808 -11.099 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.119 6.505 -9.048 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.730 5.876 -9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.003 8.361 -12.135 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.095 7.808 -10.724 1.00 0.00 H new ATOM 569 N GLY A 39 7.936 2.436 -10.743 1.00 0.00 N ATOM 570 CA GLY A 39 8.973 1.415 -11.066 1.00 0.00 C ATOM 571 C GLY A 39 9.522 0.768 -9.785 1.00 0.00 C ATOM 572 O GLY A 39 10.198 -0.242 -9.844 1.00 0.00 O ATOM 0 H GLY A 39 6.979 2.084 -10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.545 0.648 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.787 1.881 -11.621 1.00 0.00 H new ATOM 576 N LYS A 40 9.243 1.333 -8.634 1.00 0.00 N ATOM 577 CA LYS A 40 9.756 0.741 -7.363 1.00 0.00 C ATOM 578 C LYS A 40 8.743 -0.275 -6.832 1.00 0.00 C ATOM 579 O LYS A 40 7.887 0.050 -6.031 1.00 0.00 O ATOM 580 CB LYS A 40 9.956 1.849 -6.327 1.00 0.00 C ATOM 581 CG LYS A 40 10.948 2.883 -6.868 1.00 0.00 C ATOM 582 CD LYS A 40 12.362 2.534 -6.394 1.00 0.00 C ATOM 583 CE LYS A 40 13.129 3.819 -6.073 1.00 0.00 C ATOM 584 NZ LYS A 40 13.602 4.444 -7.341 1.00 0.00 N ATOM 0 H LYS A 40 8.682 2.178 -8.523 1.00 0.00 H new ATOM 0 HA LYS A 40 10.708 0.244 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.003 2.327 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.328 1.426 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.913 2.901 -7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.674 3.880 -6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.313 1.898 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.886 1.969 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.487 4.513 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.977 3.597 -5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.123 5.317 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.229 3.782 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.784 4.669 -7.943 1.00 0.00 H new ATOM 598 N THR A 41 8.835 -1.503 -7.277 1.00 0.00 N ATOM 599 CA THR A 41 7.878 -2.547 -6.807 1.00 0.00 C ATOM 600 C THR A 41 8.451 -3.265 -5.583 1.00 0.00 C ATOM 601 O THR A 41 9.172 -4.237 -5.705 1.00 0.00 O ATOM 602 CB THR A 41 7.637 -3.563 -7.925 1.00 0.00 C ATOM 603 OG1 THR A 41 7.245 -2.880 -9.109 1.00 0.00 O ATOM 604 CG2 THR A 41 6.534 -4.538 -7.506 1.00 0.00 C ATOM 0 H THR A 41 9.533 -1.827 -7.947 1.00 0.00 H new ATOM 0 HA THR A 41 6.936 -2.071 -6.537 1.00 0.00 H new ATOM 0 HB THR A 41 8.556 -4.119 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.092 -3.530 -9.826 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.364 -5.261 -8.304 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.837 -5.063 -6.600 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.614 -3.986 -7.315 1.00 0.00 H new ATOM 612 N VAL A 42 8.117 -2.801 -4.407 1.00 0.00 N ATOM 613 CA VAL A 42 8.624 -3.463 -3.162 1.00 0.00 C ATOM 614 C VAL A 42 7.499 -4.286 -2.546 1.00 0.00 C ATOM 615 O VAL A 42 6.341 -3.923 -2.620 1.00 0.00 O ATOM 616 CB VAL A 42 9.097 -2.434 -2.114 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.569 -2.097 -2.343 1.00 0.00 C ATOM 618 CG2 VAL A 42 8.258 -1.149 -2.179 1.00 0.00 C ATOM 0 H VAL A 42 7.515 -1.992 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 42 9.472 -4.089 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 42 8.971 -2.877 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.896 -1.370 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.168 -3.003 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.695 -1.677 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.615 -0.443 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.351 -0.704 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.212 -1.387 -1.985 1.00 0.00 H new ATOM 628 N ASN A 43 7.836 -5.381 -1.915 1.00 0.00 N ATOM 629 CA ASN A 43 6.792 -6.220 -1.265 1.00 0.00 C ATOM 630 C ASN A 43 6.189 -5.416 -0.116 1.00 0.00 C ATOM 631 O ASN A 43 6.889 -4.689 0.565 1.00 0.00 O ATOM 632 CB ASN A 43 7.432 -7.496 -0.714 1.00 0.00 C ATOM 633 CG ASN A 43 6.350 -8.551 -0.481 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.337 -8.557 -1.152 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.522 -9.451 0.449 1.00 0.00 N ATOM 0 H ASN A 43 8.791 -5.729 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 43 6.021 -6.493 -1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.177 -7.873 -1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.952 -7.281 0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.806 -10.159 0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.372 -9.446 1.012 1.00 0.00 H new ATOM 642 N LEU A 44 4.903 -5.529 0.108 1.00 0.00 N ATOM 643 CA LEU A 44 4.283 -4.751 1.217 1.00 0.00 C ATOM 644 C LEU A 44 4.846 -5.203 2.566 1.00 0.00 C ATOM 645 O LEU A 44 4.686 -4.524 3.564 1.00 0.00 O ATOM 646 CB LEU A 44 2.775 -4.922 1.225 1.00 0.00 C ATOM 647 CG LEU A 44 2.183 -3.837 2.119 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.975 -2.563 1.307 1.00 0.00 C ATOM 649 CD2 LEU A 44 0.867 -4.332 2.699 1.00 0.00 C ATOM 0 H LEU A 44 4.264 -6.120 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 44 4.520 -3.699 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.377 -4.842 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.505 -5.911 1.596 1.00 0.00 H new ATOM 0 HG LEU A 44 2.865 -3.613 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.552 -1.789 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.932 -2.224 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.292 -2.765 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.439 -3.561 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.174 -4.557 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.044 -5.233 3.286 1.00 0.00 H new ATOM 661 N LYS A 45 5.527 -6.321 2.615 1.00 0.00 N ATOM 662 CA LYS A 45 6.122 -6.768 3.902 1.00 0.00 C ATOM 663 C LYS A 45 7.516 -6.142 4.019 1.00 0.00 C ATOM 664 O LYS A 45 8.487 -6.815 4.313 1.00 0.00 O ATOM 665 CB LYS A 45 6.230 -8.295 3.916 1.00 0.00 C ATOM 666 CG LYS A 45 4.850 -8.902 4.177 1.00 0.00 C ATOM 667 CD LYS A 45 4.067 -8.973 2.864 1.00 0.00 C ATOM 668 CE LYS A 45 2.972 -10.033 2.979 1.00 0.00 C ATOM 669 NZ LYS A 45 3.566 -11.386 2.782 1.00 0.00 N ATOM 0 H LYS A 45 5.694 -6.938 1.820 1.00 0.00 H new ATOM 0 HA LYS A 45 5.499 -6.458 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.621 -8.651 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.931 -8.614 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.955 -9.899 4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.307 -8.298 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.626 -8.002 2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.739 -9.217 2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.494 -9.973 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.197 -9.853 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.962 -11.941 2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.515 -11.291 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.636 -11.871 3.699 1.00 0.00 H new ATOM 683 N SER A 46 7.623 -4.852 3.779 1.00 0.00 N ATOM 684 CA SER A 46 8.952 -4.181 3.865 1.00 0.00 C ATOM 685 C SER A 46 8.752 -2.726 4.280 1.00 0.00 C ATOM 686 O SER A 46 8.689 -1.837 3.452 1.00 0.00 O ATOM 687 CB SER A 46 9.650 -4.240 2.499 1.00 0.00 C ATOM 688 OG SER A 46 10.994 -3.800 2.642 1.00 0.00 O ATOM 0 H SER A 46 6.845 -4.241 3.528 1.00 0.00 H new ATOM 0 HA SER A 46 9.572 -4.689 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.627 -5.258 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.123 -3.612 1.781 1.00 0.00 H new ATOM 0 HG SER A 46 11.445 -3.837 1.773 1.00 0.00 H new ATOM 694 N ILE A 47 8.649 -2.480 5.560 1.00 0.00 N ATOM 695 CA ILE A 47 8.446 -1.086 6.048 1.00 0.00 C ATOM 696 C ILE A 47 9.705 -0.264 5.765 1.00 0.00 C ATOM 697 O ILE A 47 9.633 0.844 5.267 1.00 0.00 O ATOM 698 CB ILE A 47 8.166 -1.100 7.550 1.00 0.00 C ATOM 699 CG1 ILE A 47 6.999 -2.062 7.833 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.801 0.319 8.004 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.648 -2.042 9.323 1.00 0.00 C ATOM 0 H ILE A 47 8.697 -3.189 6.291 1.00 0.00 H new ATOM 0 HA ILE A 47 7.596 -0.640 5.532 1.00 0.00 H new ATOM 0 HB ILE A 47 9.048 -1.435 8.096 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.129 -1.774 7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.270 -3.073 7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.600 0.318 9.075 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.630 0.994 7.791 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.913 0.655 7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.821 -2.727 9.511 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.516 -2.352 9.905 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.357 -1.033 9.615 1.00 0.00 H new ATOM 713 N MET A 48 10.856 -0.804 6.074 1.00 0.00 N ATOM 714 CA MET A 48 12.128 -0.067 5.822 1.00 0.00 C ATOM 715 C MET A 48 12.307 0.136 4.315 1.00 0.00 C ATOM 716 O MET A 48 12.908 1.100 3.878 1.00 0.00 O ATOM 717 CB MET A 48 13.304 -0.877 6.370 1.00 0.00 C ATOM 718 CG MET A 48 14.512 0.043 6.565 1.00 0.00 C ATOM 719 SD MET A 48 15.741 -0.788 7.602 1.00 0.00 S ATOM 720 CE MET A 48 15.704 0.383 8.981 1.00 0.00 C ATOM 0 H MET A 48 10.969 -1.728 6.492 1.00 0.00 H new ATOM 0 HA MET A 48 12.092 0.902 6.319 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.030 -1.340 7.318 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.556 -1.684 5.682 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.948 0.298 5.599 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.200 0.978 7.031 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.402 0.059 9.752 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.990 1.373 8.625 1.00 0.00 H new ATOM 0 HE3 MET A 48 14.697 0.424 9.397 1.00 0.00 H new ATOM 730 N GLY A 49 11.790 -0.767 3.520 1.00 0.00 N ATOM 731 CA GLY A 49 11.924 -0.637 2.040 1.00 0.00 C ATOM 732 C GLY A 49 11.124 0.574 1.559 1.00 0.00 C ATOM 733 O GLY A 49 11.535 1.280 0.657 1.00 0.00 O ATOM 0 H GLY A 49 11.279 -1.591 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.973 -0.524 1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.563 -1.542 1.551 1.00 0.00 H new ATOM 737 N VAL A 50 9.984 0.819 2.156 1.00 0.00 N ATOM 738 CA VAL A 50 9.152 1.986 1.737 1.00 0.00 C ATOM 739 C VAL A 50 9.843 3.280 2.169 1.00 0.00 C ATOM 740 O VAL A 50 9.844 4.263 1.452 1.00 0.00 O ATOM 741 CB VAL A 50 7.773 1.902 2.398 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.865 2.988 1.817 1.00 0.00 C ATOM 743 CG2 VAL A 50 7.157 0.524 2.130 1.00 0.00 C ATOM 0 H VAL A 50 9.595 0.260 2.915 1.00 0.00 H new ATOM 0 HA VAL A 50 9.034 1.975 0.653 1.00 0.00 H new ATOM 0 HB VAL A 50 7.876 2.048 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.883 2.930 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.302 3.968 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.763 2.840 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.176 0.466 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.053 0.375 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.804 -0.250 2.543 1.00 0.00 H new ATOM 753 N VAL A 51 10.434 3.284 3.338 1.00 0.00 N ATOM 754 CA VAL A 51 11.131 4.510 3.827 1.00 0.00 C ATOM 755 C VAL A 51 12.313 4.824 2.907 1.00 0.00 C ATOM 756 O VAL A 51 12.683 5.970 2.729 1.00 0.00 O ATOM 757 CB VAL A 51 11.639 4.275 5.251 1.00 0.00 C ATOM 758 CG1 VAL A 51 12.223 5.575 5.807 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.478 3.816 6.137 1.00 0.00 C ATOM 0 H VAL A 51 10.463 2.488 3.975 1.00 0.00 H new ATOM 0 HA VAL A 51 10.436 5.350 3.825 1.00 0.00 H new ATOM 0 HB VAL A 51 12.412 3.507 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.585 5.407 6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.050 5.901 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.451 6.344 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.839 3.648 7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.704 4.584 6.149 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.063 2.889 5.742 1.00 0.00 H new ATOM 769 N SER A 52 12.906 3.813 2.325 1.00 0.00 N ATOM 770 CA SER A 52 14.066 4.041 1.415 1.00 0.00 C ATOM 771 C SER A 52 13.587 4.756 0.149 1.00 0.00 C ATOM 772 O SER A 52 14.312 5.529 -0.448 1.00 0.00 O ATOM 773 CB SER A 52 14.691 2.698 1.038 1.00 0.00 C ATOM 774 OG SER A 52 13.846 2.028 0.110 1.00 0.00 O ATOM 0 H SER A 52 12.635 2.837 2.442 1.00 0.00 H new ATOM 0 HA SER A 52 14.810 4.657 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.678 2.853 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.829 2.086 1.929 1.00 0.00 H new ATOM 0 HG SER A 52 13.242 1.427 0.593 1.00 0.00 H new ATOM 780 N LEU A 53 12.371 4.500 -0.261 1.00 0.00 N ATOM 781 CA LEU A 53 11.833 5.158 -1.487 1.00 0.00 C ATOM 782 C LEU A 53 11.633 6.650 -1.215 1.00 0.00 C ATOM 783 O LEU A 53 12.318 7.488 -1.770 1.00 0.00 O ATOM 784 CB LEU A 53 10.492 4.523 -1.864 1.00 0.00 C ATOM 785 CG LEU A 53 10.672 3.013 -2.034 1.00 0.00 C ATOM 786 CD1 LEU A 53 9.301 2.352 -2.196 1.00 0.00 C ATOM 787 CD2 LEU A 53 11.520 2.737 -3.277 1.00 0.00 C ATOM 0 H LEU A 53 11.726 3.861 0.203 1.00 0.00 H new ATOM 0 HA LEU A 53 12.537 5.028 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.751 4.727 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.117 4.962 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 53 11.172 2.605 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.428 1.276 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.695 2.549 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.802 2.760 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.648 1.661 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.020 3.144 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.496 3.208 -3.163 1.00 0.00 H new ATOM 799 N GLY A 54 10.701 6.985 -0.359 1.00 0.00 N ATOM 800 CA GLY A 54 10.450 8.421 -0.040 1.00 0.00 C ATOM 801 C GLY A 54 9.210 8.908 -0.793 1.00 0.00 C ATOM 802 O GLY A 54 9.224 9.957 -1.410 1.00 0.00 O ATOM 0 H GLY A 54 10.102 6.323 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.308 8.545 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.316 9.022 -0.318 1.00 0.00 H new ATOM 806 N ILE A 55 8.138 8.157 -0.741 1.00 0.00 N ATOM 807 CA ILE A 55 6.891 8.575 -1.448 1.00 0.00 C ATOM 808 C ILE A 55 6.376 9.876 -0.829 1.00 0.00 C ATOM 809 O ILE A 55 6.691 10.202 0.300 1.00 0.00 O ATOM 810 CB ILE A 55 5.829 7.478 -1.310 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.388 6.157 -1.847 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.584 7.862 -2.113 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.750 4.987 -1.097 1.00 0.00 C ATOM 0 H ILE A 55 8.074 7.272 -0.239 1.00 0.00 H new ATOM 0 HA ILE A 55 7.103 8.734 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 55 5.563 7.365 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.185 6.072 -2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.471 6.133 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.831 7.080 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.183 8.803 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.850 7.977 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.149 4.048 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.976 5.070 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.670 5.008 -1.241 1.00 0.00 H new ATOM 825 N ALA A 56 5.596 10.623 -1.566 1.00 0.00 N ATOM 826 CA ALA A 56 5.067 11.911 -1.031 1.00 0.00 C ATOM 827 C ALA A 56 3.581 12.043 -1.376 1.00 0.00 C ATOM 828 O ALA A 56 2.958 11.109 -1.845 1.00 0.00 O ATOM 829 CB ALA A 56 5.849 13.069 -1.655 1.00 0.00 C ATOM 0 H ALA A 56 5.303 10.396 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 56 5.182 11.933 0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.468 14.015 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.905 12.973 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.731 13.046 -2.738 1.00 0.00 H new ATOM 835 N LYS A 57 3.015 13.200 -1.145 1.00 0.00 N ATOM 836 CA LYS A 57 1.570 13.409 -1.452 1.00 0.00 C ATOM 837 C LYS A 57 1.410 13.774 -2.929 1.00 0.00 C ATOM 838 O LYS A 57 2.290 14.361 -3.531 1.00 0.00 O ATOM 839 CB LYS A 57 1.023 14.544 -0.582 1.00 0.00 C ATOM 840 CG LYS A 57 1.882 15.797 -0.769 1.00 0.00 C ATOM 841 CD LYS A 57 1.113 17.022 -0.269 1.00 0.00 C ATOM 842 CE LYS A 57 0.382 17.682 -1.441 1.00 0.00 C ATOM 843 NZ LYS A 57 1.320 18.585 -2.167 1.00 0.00 N ATOM 0 H LYS A 57 3.495 14.012 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 57 1.017 12.493 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.011 14.757 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.023 14.244 0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.819 15.694 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.140 15.921 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.398 16.727 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.800 17.732 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.004 16.920 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.475 18.248 -1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.824 19.034 -2.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.667 19.319 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.124 18.033 -2.527 1.00 0.00 H new ATOM 857 N GLY A 58 0.291 13.430 -3.514 1.00 0.00 N ATOM 858 CA GLY A 58 0.061 13.752 -4.953 1.00 0.00 C ATOM 859 C GLY A 58 0.883 12.803 -5.827 1.00 0.00 C ATOM 860 O GLY A 58 1.551 13.223 -6.753 1.00 0.00 O ATOM 0 H GLY A 58 -0.475 12.938 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.998 13.658 -5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.343 14.785 -5.155 1.00 0.00 H new ATOM 864 N ALA A 59 0.837 11.527 -5.538 1.00 0.00 N ATOM 865 CA ALA A 59 1.614 10.543 -6.347 1.00 0.00 C ATOM 866 C ALA A 59 0.693 9.403 -6.786 1.00 0.00 C ATOM 867 O ALA A 59 -0.475 9.374 -6.450 1.00 0.00 O ATOM 868 CB ALA A 59 2.759 9.978 -5.504 1.00 0.00 C ATOM 0 H ALA A 59 0.293 11.125 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 59 2.023 11.040 -7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.326 9.259 -6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.416 10.790 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.352 9.482 -4.623 1.00 0.00 H new ATOM 874 N GLU A 60 1.215 8.465 -7.535 1.00 0.00 N ATOM 875 CA GLU A 60 0.380 7.320 -8.002 1.00 0.00 C ATOM 876 C GLU A 60 1.065 6.004 -7.629 1.00 0.00 C ATOM 877 O GLU A 60 2.279 5.915 -7.595 1.00 0.00 O ATOM 878 CB GLU A 60 0.215 7.396 -9.521 1.00 0.00 C ATOM 879 CG GLU A 60 -0.329 8.772 -9.909 1.00 0.00 C ATOM 880 CD GLU A 60 -1.111 8.662 -11.219 1.00 0.00 C ATOM 881 OE1 GLU A 60 -2.245 8.214 -11.172 1.00 0.00 O ATOM 882 OE2 GLU A 60 -0.563 9.026 -12.245 1.00 0.00 O ATOM 0 H GLU A 60 2.187 8.444 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.600 7.367 -7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.173 7.221 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.465 6.615 -9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.975 9.155 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.492 9.480 -10.022 1.00 0.00 H new ATOM 889 N ILE A 61 0.295 4.984 -7.351 1.00 0.00 N ATOM 890 CA ILE A 61 0.892 3.668 -6.977 1.00 0.00 C ATOM 891 C ILE A 61 0.055 2.539 -7.581 1.00 0.00 C ATOM 892 O ILE A 61 -1.108 2.716 -7.891 1.00 0.00 O ATOM 893 CB ILE A 61 0.913 3.531 -5.454 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.494 3.777 -4.899 1.00 0.00 C ATOM 895 CG2 ILE A 61 1.879 4.559 -4.864 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.505 3.507 -3.393 1.00 0.00 C ATOM 0 H ILE A 61 -0.725 5.006 -7.367 1.00 0.00 H new ATOM 0 HA ILE A 61 1.911 3.609 -7.360 1.00 0.00 H new ATOM 0 HB ILE A 61 1.240 2.527 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.800 4.804 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.212 3.128 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.895 4.462 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.880 4.386 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.552 5.563 -5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.506 3.682 -2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.218 2.472 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.201 4.174 -2.899 1.00 0.00 H new ATOM 908 N THR A 62 0.641 1.381 -7.753 1.00 0.00 N ATOM 909 CA THR A 62 -0.112 0.234 -8.338 1.00 0.00 C ATOM 910 C THR A 62 0.096 -1.011 -7.475 1.00 0.00 C ATOM 911 O THR A 62 1.171 -1.581 -7.441 1.00 0.00 O ATOM 912 CB THR A 62 0.396 -0.039 -9.757 1.00 0.00 C ATOM 913 OG1 THR A 62 0.710 1.193 -10.391 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.686 -0.766 -10.557 1.00 0.00 C ATOM 0 H THR A 62 1.612 1.182 -7.512 1.00 0.00 H new ATOM 0 HA THR A 62 -1.174 0.478 -8.371 1.00 0.00 H new ATOM 0 HB THR A 62 1.289 -0.662 -9.710 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.037 1.020 -11.299 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.324 -0.960 -11.567 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.926 -1.711 -10.070 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.581 -0.146 -10.606 1.00 0.00 H new ATOM 922 N ILE A 63 -0.926 -1.436 -6.778 1.00 0.00 N ATOM 923 CA ILE A 63 -0.804 -2.645 -5.913 1.00 0.00 C ATOM 924 C ILE A 63 -1.228 -3.881 -6.714 1.00 0.00 C ATOM 925 O ILE A 63 -2.025 -3.794 -7.630 1.00 0.00 O ATOM 926 CB ILE A 63 -1.708 -2.475 -4.683 1.00 0.00 C ATOM 927 CG1 ILE A 63 -1.233 -1.263 -3.877 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.642 -3.728 -3.802 1.00 0.00 C ATOM 929 CD1 ILE A 63 -2.204 -0.997 -2.725 1.00 0.00 C ATOM 0 H ILE A 63 -1.845 -0.994 -6.772 1.00 0.00 H new ATOM 0 HA ILE A 63 0.228 -2.770 -5.584 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.737 -2.326 -5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.231 -1.444 -3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.170 -0.387 -4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.287 -3.596 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.977 -4.593 -4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.616 -3.887 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.863 -0.134 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.198 -0.797 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.244 -1.870 -2.074 1.00 0.00 H new ATOM 941 N SER A 64 -0.697 -5.029 -6.373 1.00 0.00 N ATOM 942 CA SER A 64 -1.061 -6.275 -7.109 1.00 0.00 C ATOM 943 C SER A 64 -0.961 -7.479 -6.170 1.00 0.00 C ATOM 944 O SER A 64 0.118 -7.890 -5.789 1.00 0.00 O ATOM 945 CB SER A 64 -0.106 -6.466 -8.288 1.00 0.00 C ATOM 946 OG SER A 64 1.173 -5.951 -7.944 1.00 0.00 O ATOM 0 H SER A 64 -0.026 -5.155 -5.615 1.00 0.00 H new ATOM 0 HA SER A 64 -2.084 -6.191 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.029 -7.523 -8.541 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.492 -5.955 -9.170 1.00 0.00 H new ATOM 0 HG SER A 64 1.788 -6.073 -8.697 1.00 0.00 H new ATOM 952 N ALA A 65 -2.081 -8.050 -5.804 1.00 0.00 N ATOM 953 CA ALA A 65 -2.064 -9.235 -4.897 1.00 0.00 C ATOM 954 C ALA A 65 -1.982 -10.508 -5.743 1.00 0.00 C ATOM 955 O ALA A 65 -2.779 -10.715 -6.637 1.00 0.00 O ATOM 956 CB ALA A 65 -3.348 -9.258 -4.065 1.00 0.00 C ATOM 0 H ALA A 65 -3.009 -7.744 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.203 -9.178 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.337 -10.123 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.413 -8.346 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.210 -9.321 -4.729 1.00 0.00 H new ATOM 962 N SER A 66 -1.024 -11.359 -5.470 1.00 0.00 N ATOM 963 CA SER A 66 -0.889 -12.617 -6.265 1.00 0.00 C ATOM 964 C SER A 66 -0.572 -13.787 -5.327 1.00 0.00 C ATOM 965 O SER A 66 0.544 -13.936 -4.864 1.00 0.00 O ATOM 966 CB SER A 66 0.236 -12.450 -7.290 1.00 0.00 C ATOM 967 OG SER A 66 -0.302 -12.575 -8.600 1.00 0.00 O ATOM 0 H SER A 66 -0.331 -11.237 -4.732 1.00 0.00 H new ATOM 0 HA SER A 66 -1.824 -12.823 -6.786 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.711 -11.476 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.007 -13.203 -7.127 1.00 0.00 H new ATOM 0 HG SER A 66 0.415 -12.467 -9.260 1.00 0.00 H new ATOM 973 N GLY A 67 -1.545 -14.617 -5.051 1.00 0.00 N ATOM 974 CA GLY A 67 -1.312 -15.783 -4.149 1.00 0.00 C ATOM 975 C GLY A 67 -2.633 -16.518 -3.910 1.00 0.00 C ATOM 976 O GLY A 67 -3.354 -16.828 -4.838 1.00 0.00 O ATOM 0 H GLY A 67 -2.495 -14.536 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.583 -16.460 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.896 -15.444 -3.200 1.00 0.00 H new ATOM 980 N ALA A 68 -2.950 -16.798 -2.671 1.00 0.00 N ATOM 981 CA ALA A 68 -4.224 -17.513 -2.363 1.00 0.00 C ATOM 982 C ALA A 68 -5.351 -16.495 -2.174 1.00 0.00 C ATOM 983 O ALA A 68 -6.204 -16.339 -3.028 1.00 0.00 O ATOM 984 CB ALA A 68 -4.053 -18.330 -1.079 1.00 0.00 C ATOM 0 H ALA A 68 -2.380 -16.562 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.474 -18.180 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.983 -18.852 -0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.252 -19.057 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.802 -17.663 -0.254 1.00 0.00 H new ATOM 990 N ASP A 69 -5.358 -15.801 -1.063 1.00 0.00 N ATOM 991 CA ASP A 69 -6.428 -14.788 -0.814 1.00 0.00 C ATOM 992 C ASP A 69 -5.973 -13.426 -1.351 1.00 0.00 C ATOM 993 O ASP A 69 -5.983 -12.433 -0.648 1.00 0.00 O ATOM 994 CB ASP A 69 -6.709 -14.690 0.691 1.00 0.00 C ATOM 995 CG ASP A 69 -5.401 -14.479 1.459 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.540 -13.781 0.948 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.282 -15.021 2.546 1.00 0.00 O ATOM 0 H ASP A 69 -4.668 -15.893 -0.317 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.342 -15.090 -1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.392 -13.864 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.200 -15.600 1.037 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.571 -13.380 -2.596 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.107 -12.094 -3.196 1.00 0.00 C ATOM 1004 C GLU A 70 -6.287 -11.124 -3.326 1.00 0.00 C ATOM 1005 O GLU A 70 -6.121 -9.921 -3.259 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.502 -12.362 -4.580 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.543 -13.017 -5.497 1.00 0.00 C ATOM 1008 CD GLU A 70 -4.915 -13.304 -6.862 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.428 -12.369 -7.477 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -4.930 -14.453 -7.269 1.00 0.00 O ATOM 0 H GLU A 70 -5.544 -14.183 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.350 -11.649 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.156 -11.427 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.631 -13.011 -4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.905 -13.943 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.405 -12.360 -5.613 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.473 -11.642 -3.518 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.669 -10.759 -3.662 1.00 0.00 C ATOM 1019 C ASN A 71 -9.073 -10.206 -2.293 1.00 0.00 C ATOM 1020 O ASN A 71 -9.482 -9.065 -2.171 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.829 -11.568 -4.248 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.688 -11.636 -5.770 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -10.235 -10.816 -6.480 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -8.971 -12.587 -6.304 1.00 0.00 N ATOM 0 H ASN A 71 -7.665 -12.642 -3.581 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.427 -9.930 -4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.834 -12.574 -3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.780 -11.106 -3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.870 -12.642 -7.318 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.512 -13.275 -5.708 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.964 -11.008 -1.266 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.347 -10.542 0.099 1.00 0.00 C ATOM 1033 C ASP A 72 -8.277 -9.592 0.654 1.00 0.00 C ATOM 1034 O ASP A 72 -8.555 -8.768 1.507 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.483 -11.750 1.029 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.525 -12.719 0.466 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -10.385 -13.111 -0.681 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -11.448 -13.052 1.192 1.00 0.00 O ATOM 0 H ASP A 72 -8.625 -11.969 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.297 -10.012 0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.521 -12.253 1.130 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.778 -11.422 2.026 1.00 0.00 H new ATOM 1043 N ALA A 73 -7.060 -9.704 0.186 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.973 -8.815 0.696 1.00 0.00 C ATOM 1045 C ALA A 73 -6.026 -7.444 0.012 1.00 0.00 C ATOM 1046 O ALA A 73 -5.856 -6.424 0.652 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.616 -9.463 0.422 1.00 0.00 C ATOM 0 H ALA A 73 -6.772 -10.373 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.112 -8.677 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.822 -8.815 0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.564 -10.427 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.493 -9.609 -0.651 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.232 -7.409 -1.284 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.263 -6.096 -1.999 1.00 0.00 C ATOM 1055 C LEU A 74 -7.418 -5.228 -1.482 1.00 0.00 C ATOM 1056 O LEU A 74 -7.258 -4.037 -1.288 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.391 -6.319 -3.516 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.745 -6.944 -3.873 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.793 -5.839 -4.079 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.595 -7.755 -5.164 1.00 0.00 C ATOM 0 H LEU A 74 -6.379 -8.229 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.328 -5.571 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.278 -5.368 -4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.586 -6.968 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.071 -7.595 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.752 -6.290 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.896 -5.259 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.475 -5.183 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.554 -8.203 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.270 -7.098 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.855 -8.542 -5.016 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.574 -5.804 -1.263 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.725 -4.990 -0.764 1.00 0.00 C ATOM 1074 C ASN A 75 -9.509 -4.655 0.716 1.00 0.00 C ATOM 1075 O ASN A 75 -9.994 -3.655 1.208 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.046 -5.754 -0.957 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.074 -7.013 -0.087 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.168 -7.813 -0.134 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -12.087 -7.220 0.708 1.00 0.00 N ATOM 0 H ASN A 75 -8.770 -6.795 -1.407 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.783 -4.063 -1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.886 -5.109 -0.699 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.164 -6.028 -2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.115 -8.057 1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.851 -6.545 0.747 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.778 -5.482 1.427 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.523 -5.208 2.871 1.00 0.00 C ATOM 1088 C ALA A 76 -7.744 -3.896 3.007 1.00 0.00 C ATOM 1089 O ALA A 76 -8.205 -2.953 3.621 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.704 -6.353 3.471 1.00 0.00 C ATOM 0 H ALA A 76 -8.349 -6.334 1.066 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.472 -5.126 3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.518 -6.153 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.257 -7.287 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.754 -6.436 2.944 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.564 -3.833 2.438 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.749 -2.585 2.530 1.00 0.00 C ATOM 1098 C LEU A 77 -6.491 -1.425 1.859 1.00 0.00 C ATOM 1099 O LEU A 77 -6.305 -0.279 2.217 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.408 -2.801 1.826 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.720 -4.057 2.390 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.506 -5.077 1.269 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.365 -3.675 2.992 1.00 0.00 C ATOM 0 H LEU A 77 -6.132 -4.594 1.914 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.581 -2.345 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.564 -2.911 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.768 -1.930 1.967 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.353 -4.494 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.019 -5.964 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.469 -5.355 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.877 -4.639 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.880 -4.566 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.735 -3.234 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.514 -2.953 3.795 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.322 -1.712 0.886 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.072 -0.621 0.187 1.00 0.00 C ATOM 1117 C GLU A 78 -8.935 0.150 1.196 1.00 0.00 C ATOM 1118 O GLU A 78 -8.818 1.353 1.329 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.964 -1.237 -0.900 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.721 -0.132 -1.657 1.00 0.00 C ATOM 1121 CD GLU A 78 -11.208 -0.182 -1.299 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -11.534 0.106 -0.159 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -11.997 -0.508 -2.172 1.00 0.00 O ATOM 0 H GLU A 78 -7.513 -2.654 0.546 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.365 0.070 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.355 -1.813 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.674 -1.930 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.309 0.844 -1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.592 -0.261 -2.732 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.800 -0.535 1.900 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.676 0.149 2.896 1.00 0.00 C ATOM 1132 C GLU A 79 -9.815 0.799 3.983 1.00 0.00 C ATOM 1133 O GLU A 79 -10.198 1.788 4.577 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.618 -0.876 3.531 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.802 -2.026 4.124 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.700 -2.879 5.023 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -12.335 -2.314 5.899 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.738 -4.081 4.820 1.00 0.00 O ATOM 0 H GLU A 79 -9.937 -1.543 1.827 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.261 0.920 2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.216 -0.402 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.313 -1.258 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.383 -2.638 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.963 -1.633 4.698 1.00 0.00 H new ATOM 1145 N THR A 80 -8.654 0.251 4.245 1.00 0.00 N ATOM 1146 CA THR A 80 -7.763 0.836 5.290 1.00 0.00 C ATOM 1147 C THR A 80 -7.258 2.199 4.813 1.00 0.00 C ATOM 1148 O THR A 80 -7.041 3.103 5.598 1.00 0.00 O ATOM 1149 CB THR A 80 -6.574 -0.098 5.530 1.00 0.00 C ATOM 1150 OG1 THR A 80 -7.033 -1.441 5.580 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.900 0.263 6.853 1.00 0.00 C ATOM 0 H THR A 80 -8.286 -0.578 3.778 1.00 0.00 H new ATOM 0 HA THR A 80 -8.318 0.957 6.220 1.00 0.00 H new ATOM 0 HB THR A 80 -5.855 0.010 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.258 -1.744 4.675 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.054 -0.402 7.024 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.549 1.294 6.813 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.616 0.155 7.668 1.00 0.00 H new ATOM 1159 N MET A 81 -7.074 2.348 3.526 1.00 0.00 N ATOM 1160 CA MET A 81 -6.588 3.646 2.974 1.00 0.00 C ATOM 1161 C MET A 81 -7.706 4.687 3.083 1.00 0.00 C ATOM 1162 O MET A 81 -7.453 5.868 3.234 1.00 0.00 O ATOM 1163 CB MET A 81 -6.202 3.454 1.503 1.00 0.00 C ATOM 1164 CG MET A 81 -4.681 3.267 1.382 1.00 0.00 C ATOM 1165 SD MET A 81 -3.918 4.766 0.707 1.00 0.00 S ATOM 1166 CE MET A 81 -2.446 3.978 0.010 1.00 0.00 C ATOM 0 H MET A 81 -7.241 1.621 2.831 1.00 0.00 H new ATOM 0 HA MET A 81 -5.718 3.987 3.535 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.718 2.586 1.093 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.519 4.318 0.919 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.256 3.043 2.360 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.462 2.416 0.737 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.820 4.733 -0.466 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.884 3.489 0.806 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.746 3.237 -0.730 1.00 0.00 H new ATOM 1176 N LYS A 82 -8.938 4.254 3.002 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.083 5.205 3.095 1.00 0.00 C ATOM 1178 C LYS A 82 -10.375 5.532 4.565 1.00 0.00 C ATOM 1179 O LYS A 82 -10.938 6.565 4.875 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.322 4.567 2.460 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.368 4.919 0.971 1.00 0.00 C ATOM 1182 CD LYS A 82 -11.993 3.761 0.191 1.00 0.00 C ATOM 1183 CE LYS A 82 -13.492 4.010 0.018 1.00 0.00 C ATOM 1184 NZ LYS A 82 -14.192 2.710 -0.184 1.00 0.00 N ATOM 0 H LYS A 82 -9.200 3.276 2.875 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.830 6.125 2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.294 3.485 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.224 4.924 2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.949 5.829 0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.362 5.118 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.515 3.666 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.829 2.822 0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.891 4.517 0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.666 4.665 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.211 2.879 -0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.818 2.243 -1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.036 2.099 0.643 1.00 0.00 H new ATOM 1198 N SER A 83 -10.002 4.660 5.471 1.00 0.00 N ATOM 1199 CA SER A 83 -10.262 4.919 6.918 1.00 0.00 C ATOM 1200 C SER A 83 -9.298 5.990 7.433 1.00 0.00 C ATOM 1201 O SER A 83 -9.697 7.097 7.741 1.00 0.00 O ATOM 1202 CB SER A 83 -10.060 3.627 7.711 1.00 0.00 C ATOM 1203 OG SER A 83 -8.974 2.898 7.153 1.00 0.00 O ATOM 0 H SER A 83 -9.528 3.780 5.268 1.00 0.00 H new ATOM 0 HA SER A 83 -11.287 5.268 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.859 3.857 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.968 3.025 7.685 1.00 0.00 H new ATOM 0 HG SER A 83 -8.449 3.487 6.572 1.00 0.00 H new ATOM 1209 N GLU A 84 -8.033 5.666 7.530 1.00 0.00 N ATOM 1210 CA GLU A 84 -7.036 6.660 8.027 1.00 0.00 C ATOM 1211 C GLU A 84 -6.962 7.843 7.059 1.00 0.00 C ATOM 1212 O GLU A 84 -6.658 8.954 7.451 1.00 0.00 O ATOM 1213 CB GLU A 84 -5.660 5.996 8.125 1.00 0.00 C ATOM 1214 CG GLU A 84 -5.666 4.959 9.254 1.00 0.00 C ATOM 1215 CD GLU A 84 -5.830 3.556 8.665 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -5.100 3.234 7.743 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -6.683 2.829 9.147 1.00 0.00 O ATOM 0 H GLU A 84 -7.648 4.754 7.286 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.341 7.016 9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.409 5.516 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.895 6.749 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.737 5.019 9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.479 5.169 9.950 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.234 7.611 5.800 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.177 8.717 4.800 1.00 0.00 C ATOM 1226 C GLY A 85 -5.751 8.837 4.263 1.00 0.00 C ATOM 1227 O GLY A 85 -5.212 9.922 4.144 1.00 0.00 O ATOM 0 H GLY A 85 -7.494 6.700 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.871 8.520 3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.485 9.656 5.260 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.137 7.727 3.941 1.00 0.00 N ATOM 1232 CA LEU A 86 -3.743 7.760 3.414 1.00 0.00 C ATOM 1233 C LEU A 86 -3.768 8.081 1.918 1.00 0.00 C ATOM 1234 O LEU A 86 -2.882 8.736 1.402 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.083 6.399 3.635 1.00 0.00 C ATOM 1236 CG LEU A 86 -2.872 6.173 5.133 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.339 4.760 5.363 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -1.858 7.189 5.666 1.00 0.00 C ATOM 0 H LEU A 86 -5.545 6.796 4.022 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.175 8.528 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.708 5.608 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.128 6.357 3.112 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.821 6.297 5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.188 4.597 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.058 4.034 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.390 4.639 4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.708 7.028 6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.910 7.065 5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.234 8.199 5.501 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.778 7.625 1.221 1.00 0.00 N ATOM 1251 CA GLY A 87 -4.869 7.900 -0.243 1.00 0.00 C ATOM 1252 C GLY A 87 -6.097 7.196 -0.822 1.00 0.00 C ATOM 1253 O GLY A 87 -6.549 6.192 -0.301 1.00 0.00 O ATOM 0 H GLY A 87 -5.545 7.073 1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.937 8.974 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.967 7.551 -0.746 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.636 7.715 -1.894 1.00 0.00 N ATOM 1258 CA GLU A 88 -7.838 7.083 -2.516 1.00 0.00 C ATOM 1259 C GLU A 88 -7.674 7.068 -4.038 1.00 0.00 C ATOM 1260 O GLU A 88 -7.489 8.132 -4.605 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.088 7.884 -2.144 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.883 9.355 -2.512 1.00 0.00 C ATOM 1263 CD GLU A 88 -9.945 10.208 -1.817 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -9.973 10.206 -0.598 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -10.713 10.848 -2.516 1.00 0.00 O ATOM 1266 OXT GLU A 88 -7.737 5.992 -4.609 1.00 0.00 O ATOM 0 H GLU A 88 -6.295 8.552 -2.367 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.942 6.061 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.957 7.485 -2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.288 7.790 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.887 9.680 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.948 9.483 -3.592 1.00 0.00 H new TER 1273 GLU A 88