USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 522 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 7 THR OG1 : rot -150:sc= -0.704! USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= -2.95! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.335 (180deg=-0.156) USER MOD Single : A 2 GLN : amide:sc= -5.73! C(o=-5.7!,f=-6.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -35:sc= 0.178 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 22 THR OG1 : rot 125:sc= -0.0129 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.841 F(o=-3.2!,f=-0.84) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -3.11! (180deg=-4.18!) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 0.0197 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -7.45! C(o=-7.4!,f=-17!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.99 F(o=-4.7!,f=-2) USER MOD Single : A 41 GLN : amide:sc= -2.33 K(o=-2.3,f=-3.5) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -1.71 (180deg=-2.95!) USER MOD Single : A 49 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00122 USER MOD Single : A 57 SER OG : rot -35:sc= 0.0756 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.593 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0309 F(o=-1.5,f=-0.031) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 130:sc= -1.52 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -1.16 F(o=-3.1!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.500 -7.644 12.528 1.00 0.00 N ATOM 2 CA MET A 1 -1.475 -7.613 11.497 1.00 0.00 C ATOM 3 C MET A 1 -1.049 -6.175 11.192 1.00 0.00 C ATOM 4 O MET A 1 -1.875 -5.263 11.203 1.00 0.00 O ATOM 5 CB MET A 1 -2.011 -8.268 10.224 1.00 0.00 C ATOM 6 CG MET A 1 -2.396 -9.727 10.478 1.00 0.00 C ATOM 7 SD MET A 1 -4.171 -9.879 10.589 1.00 0.00 S ATOM 8 CE MET A 1 -4.306 -11.591 11.078 1.00 0.00 C ATOM 0 H1 MET A 1 -2.092 -8.010 13.412 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.862 -6.682 12.686 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.280 -8.262 12.224 1.00 0.00 H new ATOM 0 HA MET A 1 -0.605 -8.161 11.859 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.880 -7.716 9.865 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.256 -8.219 9.440 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.018 -10.357 9.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.934 -10.078 11.401 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.357 -11.855 11.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.854 -12.224 10.314 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.789 -11.741 12.026 1.00 0.00 H new ATOM 16 N GLN A 2 0.239 -6.017 10.926 1.00 0.00 N ATOM 17 CA GLN A 2 0.784 -4.706 10.617 1.00 0.00 C ATOM 18 C GLN A 2 1.902 -4.827 9.580 1.00 0.00 C ATOM 19 O GLN A 2 2.728 -5.734 9.656 1.00 0.00 O ATOM 20 CB GLN A 2 1.283 -4.008 11.883 1.00 0.00 C ATOM 21 CG GLN A 2 1.716 -2.571 11.583 1.00 0.00 C ATOM 22 CD GLN A 2 3.034 -2.238 12.285 1.00 0.00 C ATOM 23 OE1 GLN A 2 3.066 -1.694 13.377 1.00 0.00 O ATOM 24 NE2 GLN A 2 4.117 -2.594 11.600 1.00 0.00 N ATOM 0 H GLN A 2 0.921 -6.775 10.918 1.00 0.00 H new ATOM 0 HA GLN A 2 -0.012 -4.093 10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.494 -4.004 12.635 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.121 -4.564 12.303 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.829 -2.439 10.507 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.941 -1.878 11.910 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.020 -3.046 10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.045 -2.415 11.984 1.00 0.00 H new ATOM 31 N ILE A 3 1.893 -3.897 8.636 1.00 0.00 N ATOM 32 CA ILE A 3 2.896 -3.889 7.584 1.00 0.00 C ATOM 33 C ILE A 3 3.419 -2.462 7.396 1.00 0.00 C ATOM 34 O ILE A 3 3.095 -1.571 8.180 1.00 0.00 O ATOM 35 CB ILE A 3 2.338 -4.512 6.305 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.055 -3.804 5.864 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.132 -6.019 6.473 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.735 -4.110 4.399 1.00 0.00 C ATOM 0 H ILE A 3 1.207 -3.144 8.578 1.00 0.00 H new ATOM 0 HA ILE A 3 3.748 -4.508 7.866 1.00 0.00 H new ATOM 0 HB ILE A 3 3.071 -4.374 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.225 -4.122 6.495 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.165 -2.728 5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.734 -6.437 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.086 -6.493 6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.429 -6.202 7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.181 -3.595 4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.556 -3.769 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.602 -5.184 4.272 1.00 0.00 H new ATOM 49 N PHE A 4 4.216 -2.292 6.353 1.00 0.00 N ATOM 50 CA PHE A 4 4.786 -0.989 6.051 1.00 0.00 C ATOM 51 C PHE A 4 4.682 -0.677 4.557 1.00 0.00 C ATOM 52 O PHE A 4 4.510 -1.581 3.741 1.00 0.00 O ATOM 53 CB PHE A 4 6.263 -1.046 6.446 1.00 0.00 C ATOM 54 CG PHE A 4 6.505 -1.485 7.892 1.00 0.00 C ATOM 55 CD1 PHE A 4 6.226 -0.636 8.917 1.00 0.00 C ATOM 56 CD2 PHE A 4 6.998 -2.726 8.151 1.00 0.00 C ATOM 57 CE1 PHE A 4 6.451 -1.043 10.258 1.00 0.00 C ATOM 58 CE2 PHE A 4 7.223 -3.134 9.493 1.00 0.00 C ATOM 59 CZ PHE A 4 6.944 -2.285 10.518 1.00 0.00 C ATOM 0 H PHE A 4 4.481 -3.034 5.706 1.00 0.00 H new ATOM 0 HA PHE A 4 4.248 -0.212 6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.781 -1.733 5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.706 -0.061 6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.833 0.349 8.711 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.218 -3.401 7.337 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.231 -0.368 11.072 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.616 -4.119 9.699 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.114 -2.596 11.538 1.00 0.00 H new ATOM 68 N VAL A 5 4.787 0.606 4.245 1.00 0.00 N ATOM 69 CA VAL A 5 4.707 1.049 2.863 1.00 0.00 C ATOM 70 C VAL A 5 5.836 2.043 2.584 1.00 0.00 C ATOM 71 O VAL A 5 6.168 2.865 3.436 1.00 0.00 O ATOM 72 CB VAL A 5 3.319 1.625 2.578 1.00 0.00 C ATOM 73 CG1 VAL A 5 3.202 2.083 1.123 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.224 0.614 2.925 1.00 0.00 C ATOM 0 H VAL A 5 4.927 1.353 4.925 1.00 0.00 H new ATOM 0 HA VAL A 5 4.841 0.207 2.184 1.00 0.00 H new ATOM 0 HB VAL A 5 3.182 2.499 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.205 2.488 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.947 2.853 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.370 1.234 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.247 1.049 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.358 -0.287 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.286 0.359 3.983 1.00 0.00 H new ATOM 84 N LYS A 6 6.394 1.935 1.387 1.00 0.00 N ATOM 85 CA LYS A 6 7.479 2.814 0.985 1.00 0.00 C ATOM 86 C LYS A 6 6.947 3.853 -0.004 1.00 0.00 C ATOM 87 O LYS A 6 5.744 4.107 -0.058 1.00 0.00 O ATOM 88 CB LYS A 6 8.657 1.999 0.447 1.00 0.00 C ATOM 89 CG LYS A 6 9.990 2.610 0.884 1.00 0.00 C ATOM 90 CD LYS A 6 10.780 1.634 1.758 1.00 0.00 C ATOM 91 CE LYS A 6 12.265 1.645 1.390 1.00 0.00 C ATOM 92 NZ LYS A 6 13.077 1.078 2.489 1.00 0.00 N ATOM 0 H LYS A 6 6.115 1.252 0.683 1.00 0.00 H new ATOM 0 HA LYS A 6 7.866 3.361 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.588 0.972 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.610 1.960 -0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.578 2.875 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.808 3.532 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.660 1.902 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.380 0.627 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.424 1.069 0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.586 2.666 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.082 1.093 2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.939 1.644 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.782 0.097 2.669 1.00 0.00 H new ATOM 102 N THR A 7 7.869 4.428 -0.763 1.00 0.00 N ATOM 103 CA THR A 7 7.508 5.434 -1.748 1.00 0.00 C ATOM 104 C THR A 7 8.762 6.121 -2.292 1.00 0.00 C ATOM 105 O THR A 7 9.868 5.868 -1.818 1.00 0.00 O ATOM 106 CB THR A 7 6.520 6.401 -1.093 1.00 0.00 C ATOM 107 OG1 THR A 7 6.846 7.668 -1.661 1.00 0.00 O ATOM 108 CG2 THR A 7 6.784 6.585 0.403 1.00 0.00 C ATOM 0 H THR A 7 8.866 4.216 -0.716 1.00 0.00 H new ATOM 0 HA THR A 7 7.021 4.985 -2.614 1.00 0.00 H new ATOM 0 HB THR A 7 5.504 6.036 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.642 8.378 -1.017 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.055 7.281 0.818 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.697 5.623 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.788 6.982 0.549 1.00 0.00 H new ATOM 116 N LEU A 8 8.546 6.977 -3.280 1.00 0.00 N ATOM 117 CA LEU A 8 9.645 7.702 -3.895 1.00 0.00 C ATOM 118 C LEU A 8 10.465 8.396 -2.805 1.00 0.00 C ATOM 119 O LEU A 8 11.617 8.763 -3.029 1.00 0.00 O ATOM 120 CB LEU A 8 9.123 8.655 -4.971 1.00 0.00 C ATOM 121 CG LEU A 8 8.242 8.027 -6.053 1.00 0.00 C ATOM 122 CD1 LEU A 8 7.710 9.091 -7.015 1.00 0.00 C ATOM 123 CD2 LEU A 8 8.989 6.912 -6.789 1.00 0.00 C ATOM 0 H LEU A 8 7.627 7.185 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 8 10.315 7.013 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.555 9.447 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.978 9.128 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 8 7.379 7.572 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.087 8.617 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.117 9.818 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.547 9.597 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.341 6.482 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.882 7.322 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.277 6.137 -6.079 1.00 0.00 H new ATOM 134 N THR A 9 9.839 8.553 -1.648 1.00 0.00 N ATOM 135 CA THR A 9 10.497 9.197 -0.522 1.00 0.00 C ATOM 136 C THR A 9 11.345 8.183 0.249 1.00 0.00 C ATOM 137 O THR A 9 12.472 8.483 0.640 1.00 0.00 O ATOM 138 CB THR A 9 9.420 9.866 0.335 1.00 0.00 C ATOM 139 OG1 THR A 9 8.573 8.790 0.729 1.00 0.00 O ATOM 140 CG2 THR A 9 8.506 10.780 -0.483 1.00 0.00 C ATOM 0 H THR A 9 8.884 8.246 -1.465 1.00 0.00 H new ATOM 0 HA THR A 9 11.191 9.968 -0.856 1.00 0.00 H new ATOM 0 HB THR A 9 9.894 10.443 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.847 9.134 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.760 11.230 0.172 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.100 11.566 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.006 10.197 -1.256 1.00 0.00 H new ATOM 148 N GLY A 10 10.771 7.006 0.444 1.00 0.00 N ATOM 149 CA GLY A 10 11.460 5.947 1.162 1.00 0.00 C ATOM 150 C GLY A 10 11.149 6.007 2.659 1.00 0.00 C ATOM 151 O GLY A 10 12.059 5.994 3.487 1.00 0.00 O ATOM 0 H GLY A 10 9.836 6.762 0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.160 4.978 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.535 6.037 1.006 1.00 0.00 H new ATOM 155 N LYS A 11 9.861 6.071 2.961 1.00 0.00 N ATOM 156 CA LYS A 11 9.419 6.132 4.343 1.00 0.00 C ATOM 157 C LYS A 11 8.744 4.811 4.718 1.00 0.00 C ATOM 158 O LYS A 11 8.486 3.975 3.853 1.00 0.00 O ATOM 159 CB LYS A 11 8.532 7.360 4.569 1.00 0.00 C ATOM 160 CG LYS A 11 7.220 7.239 3.790 1.00 0.00 C ATOM 161 CD LYS A 11 6.137 8.130 4.402 1.00 0.00 C ATOM 162 CE LYS A 11 6.203 9.546 3.827 1.00 0.00 C ATOM 163 NZ LYS A 11 5.428 10.484 4.669 1.00 0.00 N ATOM 0 H LYS A 11 9.109 6.082 2.272 1.00 0.00 H new ATOM 0 HA LYS A 11 10.273 6.255 5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.319 7.469 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.063 8.259 4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.383 7.520 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.886 6.201 3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.154 7.700 4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.260 8.167 5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.241 9.873 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.810 9.551 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.483 11.441 4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.434 10.180 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.821 10.492 5.632 1.00 0.00 H new ATOM 173 N THR A 12 8.480 4.663 6.008 1.00 0.00 N ATOM 174 CA THR A 12 7.841 3.457 6.507 1.00 0.00 C ATOM 175 C THR A 12 6.606 3.813 7.336 1.00 0.00 C ATOM 176 O THR A 12 6.726 4.239 8.484 1.00 0.00 O ATOM 177 CB THR A 12 8.887 2.657 7.286 1.00 0.00 C ATOM 178 OG1 THR A 12 9.612 1.958 6.278 1.00 0.00 O ATOM 179 CG2 THR A 12 8.262 1.546 8.133 1.00 0.00 C ATOM 0 H THR A 12 8.697 5.358 6.722 1.00 0.00 H new ATOM 0 HA THR A 12 7.476 2.834 5.690 1.00 0.00 H new ATOM 0 HB THR A 12 9.453 3.330 7.930 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.312 1.415 6.696 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.047 1.009 8.665 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.569 1.983 8.852 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.724 0.854 7.485 1.00 0.00 H new ATOM 187 N ILE A 13 5.447 3.624 6.723 1.00 0.00 N ATOM 188 CA ILE A 13 4.190 3.919 7.392 1.00 0.00 C ATOM 189 C ILE A 13 3.600 2.624 7.954 1.00 0.00 C ATOM 190 O ILE A 13 3.430 1.648 7.226 1.00 0.00 O ATOM 191 CB ILE A 13 3.245 4.667 6.448 1.00 0.00 C ATOM 192 CG1 ILE A 13 3.084 3.916 5.124 1.00 0.00 C ATOM 193 CG2 ILE A 13 3.710 6.109 6.236 1.00 0.00 C ATOM 194 CD1 ILE A 13 1.606 3.722 4.781 1.00 0.00 C ATOM 0 H ILE A 13 5.351 3.271 5.771 1.00 0.00 H new ATOM 0 HA ILE A 13 4.355 4.587 8.237 1.00 0.00 H new ATOM 0 HB ILE A 13 2.261 4.711 6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.577 4.470 4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.576 2.946 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.021 6.618 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.731 6.629 7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.710 6.109 5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.519 3.186 3.836 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.122 3.147 5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.122 4.695 4.692 1.00 0.00 H new ATOM 205 N THR A 14 3.304 2.659 9.244 1.00 0.00 N ATOM 206 CA THR A 14 2.737 1.500 9.914 1.00 0.00 C ATOM 207 C THR A 14 1.236 1.403 9.631 1.00 0.00 C ATOM 208 O THR A 14 0.471 2.291 10.005 1.00 0.00 O ATOM 209 CB THR A 14 3.069 1.604 11.403 1.00 0.00 C ATOM 210 OG1 THR A 14 4.364 1.020 11.512 1.00 0.00 O ATOM 211 CG2 THR A 14 2.181 0.705 12.266 1.00 0.00 C ATOM 0 H THR A 14 3.446 3.471 9.844 1.00 0.00 H new ATOM 0 HA THR A 14 3.169 0.574 9.535 1.00 0.00 H new ATOM 0 HB THR A 14 2.961 2.639 11.727 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.443 0.279 10.875 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.459 0.817 13.314 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.137 0.991 12.135 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.313 -0.334 11.965 1.00 0.00 H new ATOM 219 N LEU A 15 0.860 0.317 8.971 1.00 0.00 N ATOM 220 CA LEU A 15 -0.536 0.092 8.634 1.00 0.00 C ATOM 221 C LEU A 15 -0.986 -1.250 9.212 1.00 0.00 C ATOM 222 O LEU A 15 -0.177 -1.994 9.766 1.00 0.00 O ATOM 223 CB LEU A 15 -0.748 0.214 7.124 1.00 0.00 C ATOM 224 CG LEU A 15 -1.642 1.368 6.664 1.00 0.00 C ATOM 225 CD1 LEU A 15 -1.285 1.802 5.240 1.00 0.00 C ATOM 226 CD2 LEU A 15 -3.121 1.003 6.798 1.00 0.00 C ATOM 0 H LEU A 15 1.497 -0.416 8.661 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.165 0.860 9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.226 0.323 6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.178 -0.720 6.761 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.462 2.222 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.934 2.623 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.246 2.130 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.420 0.962 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.734 1.840 6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.337 0.128 6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.348 0.780 7.841 1.00 0.00 H new ATOM 237 N GLU A 16 -2.275 -1.521 9.063 1.00 0.00 N ATOM 238 CA GLU A 16 -2.842 -2.762 9.564 1.00 0.00 C ATOM 239 C GLU A 16 -3.878 -3.307 8.579 1.00 0.00 C ATOM 240 O GLU A 16 -4.964 -2.745 8.441 1.00 0.00 O ATOM 241 CB GLU A 16 -3.456 -2.563 10.951 1.00 0.00 C ATOM 242 CG GLU A 16 -2.379 -2.605 12.038 1.00 0.00 C ATOM 243 CD GLU A 16 -2.573 -1.470 13.046 1.00 0.00 C ATOM 244 OE1 GLU A 16 -2.275 -0.316 12.666 1.00 0.00 O ATOM 245 OE2 GLU A 16 -3.014 -1.781 14.173 1.00 0.00 O ATOM 0 H GLU A 16 -2.943 -0.902 8.603 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.040 -3.494 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.978 -1.607 10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.198 -3.339 11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.415 -3.565 12.554 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.393 -2.526 11.581 1.00 0.00 H new ATOM 250 N VAL A 17 -3.505 -4.394 7.920 1.00 0.00 N ATOM 251 CA VAL A 17 -4.389 -5.021 6.952 1.00 0.00 C ATOM 252 C VAL A 17 -4.348 -6.539 7.139 1.00 0.00 C ATOM 253 O VAL A 17 -3.472 -7.060 7.829 1.00 0.00 O ATOM 254 CB VAL A 17 -4.011 -4.582 5.537 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.138 -3.065 5.380 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.601 -5.054 5.176 1.00 0.00 C ATOM 0 H VAL A 17 -2.603 -4.856 8.037 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.419 -4.702 7.112 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.710 -5.050 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.863 -2.780 4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.167 -2.764 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.474 -2.569 6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.356 -4.729 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.884 -4.628 5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.557 -6.142 5.228 1.00 0.00 H new ATOM 266 N GLU A 18 -5.305 -7.207 6.512 1.00 0.00 N ATOM 267 CA GLU A 18 -5.389 -8.655 6.600 1.00 0.00 C ATOM 268 C GLU A 18 -4.687 -9.301 5.404 1.00 0.00 C ATOM 269 O GLU A 18 -4.427 -8.639 4.400 1.00 0.00 O ATOM 270 CB GLU A 18 -6.844 -9.115 6.696 1.00 0.00 C ATOM 271 CG GLU A 18 -7.184 -9.565 8.119 1.00 0.00 C ATOM 272 CD GLU A 18 -8.029 -10.841 8.103 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.261 -10.705 7.946 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.422 -11.925 8.247 1.00 0.00 O ATOM 0 H GLU A 18 -6.029 -6.772 5.941 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.881 -8.974 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.507 -8.302 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.016 -9.936 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.265 -9.740 8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.725 -8.772 8.635 1.00 0.00 H new ATOM 279 N PRO A 19 -4.394 -10.621 5.553 1.00 0.00 N ATOM 280 CA PRO A 19 -3.729 -11.364 4.497 1.00 0.00 C ATOM 281 C PRO A 19 -4.694 -11.672 3.351 1.00 0.00 C ATOM 282 O PRO A 19 -4.274 -11.827 2.205 1.00 0.00 O ATOM 283 CB PRO A 19 -3.191 -12.614 5.174 1.00 0.00 C ATOM 284 CG PRO A 19 -3.969 -12.752 6.472 1.00 0.00 C ATOM 285 CD PRO A 19 -4.688 -11.437 6.727 1.00 0.00 C ATOM 0 HA PRO A 19 -2.920 -10.800 4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.328 -13.491 4.541 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.122 -12.524 5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.685 -13.571 6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.296 -12.985 7.297 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.761 -11.589 6.845 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.331 -10.961 7.640 1.00 0.00 H new ATOM 290 N SER A 20 -5.969 -11.752 3.700 1.00 0.00 N ATOM 291 CA SER A 20 -6.998 -12.039 2.715 1.00 0.00 C ATOM 292 C SER A 20 -7.595 -10.734 2.186 1.00 0.00 C ATOM 293 O SER A 20 -8.660 -10.739 1.569 1.00 0.00 O ATOM 294 CB SER A 20 -8.096 -12.925 3.307 1.00 0.00 C ATOM 295 OG SER A 20 -8.195 -12.778 4.721 1.00 0.00 O ATOM 0 H SER A 20 -6.313 -11.623 4.651 1.00 0.00 H new ATOM 0 HA SER A 20 -6.538 -12.581 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.052 -12.673 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.891 -13.968 3.064 1.00 0.00 H new ATOM 0 HG SER A 20 -8.908 -13.358 5.061 1.00 0.00 H new ATOM 300 N ASP A 21 -6.885 -9.647 2.447 1.00 0.00 N ATOM 301 CA ASP A 21 -7.332 -8.336 2.005 1.00 0.00 C ATOM 302 C ASP A 21 -6.748 -8.043 0.621 1.00 0.00 C ATOM 303 O ASP A 21 -5.603 -8.396 0.339 1.00 0.00 O ATOM 304 CB ASP A 21 -6.856 -7.241 2.961 1.00 0.00 C ATOM 305 CG ASP A 21 -7.599 -7.181 4.296 1.00 0.00 C ATOM 306 OD1 ASP A 21 -8.533 -7.995 4.463 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.216 -6.323 5.121 1.00 0.00 O ATOM 0 H ASP A 21 -6.003 -9.646 2.959 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.422 -8.342 1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.795 -7.389 3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.956 -6.276 2.463 1.00 0.00 H new ATOM 311 N THR A 22 -7.561 -7.402 -0.205 1.00 0.00 N ATOM 312 CA THR A 22 -7.139 -7.057 -1.553 1.00 0.00 C ATOM 313 C THR A 22 -6.291 -5.784 -1.536 1.00 0.00 C ATOM 314 O THR A 22 -6.401 -4.972 -0.619 1.00 0.00 O ATOM 315 CB THR A 22 -8.391 -6.943 -2.425 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.881 -6.701 -3.733 1.00 0.00 O ATOM 317 CG2 THR A 22 -9.213 -5.692 -2.108 1.00 0.00 C ATOM 0 H THR A 22 -8.510 -7.112 0.032 1.00 0.00 H new ATOM 0 HA THR A 22 -6.499 -7.830 -1.978 1.00 0.00 H new ATOM 0 HB THR A 22 -9.011 -7.829 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.241 -7.369 -4.353 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.090 -5.659 -2.755 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.531 -5.720 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.604 -4.804 -2.277 1.00 0.00 H new ATOM 325 N ILE A 23 -5.465 -5.649 -2.563 1.00 0.00 N ATOM 326 CA ILE A 23 -4.599 -4.488 -2.678 1.00 0.00 C ATOM 327 C ILE A 23 -5.444 -3.216 -2.588 1.00 0.00 C ATOM 328 O ILE A 23 -5.067 -2.263 -1.907 1.00 0.00 O ATOM 329 CB ILE A 23 -3.752 -4.575 -3.950 1.00 0.00 C ATOM 330 CG1 ILE A 23 -3.022 -5.917 -4.032 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.789 -3.392 -4.050 1.00 0.00 C ATOM 332 CD1 ILE A 23 -2.591 -6.393 -2.643 1.00 0.00 C ATOM 0 H ILE A 23 -5.377 -6.324 -3.323 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.889 -4.459 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.420 -4.519 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.673 -6.662 -4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.147 -5.820 -4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.200 -3.479 -4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.357 -2.462 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.123 -3.391 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.075 -7.349 -2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.921 -5.658 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.470 -6.512 -2.010 1.00 0.00 H new ATOM 343 N GLU A 24 -6.569 -3.241 -3.285 1.00 0.00 N ATOM 344 CA GLU A 24 -7.471 -2.101 -3.293 1.00 0.00 C ATOM 345 C GLU A 24 -7.844 -1.711 -1.861 1.00 0.00 C ATOM 346 O GLU A 24 -7.998 -0.529 -1.556 1.00 0.00 O ATOM 347 CB GLU A 24 -8.721 -2.395 -4.124 1.00 0.00 C ATOM 348 CG GLU A 24 -9.650 -1.181 -4.165 1.00 0.00 C ATOM 349 CD GLU A 24 -10.787 -1.325 -3.151 1.00 0.00 C ATOM 350 OE1 GLU A 24 -11.796 -1.967 -3.516 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.620 -0.792 -2.034 1.00 0.00 O ATOM 0 H GLU A 24 -6.878 -4.033 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.957 -1.259 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.431 -2.670 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.251 -3.249 -3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.081 -0.276 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.064 -1.069 -5.167 1.00 0.00 H new ATOM 356 N ASN A 25 -7.981 -2.727 -1.021 1.00 0.00 N ATOM 357 CA ASN A 25 -8.334 -2.506 0.371 1.00 0.00 C ATOM 358 C ASN A 25 -7.146 -1.871 1.099 1.00 0.00 C ATOM 359 O ASN A 25 -7.282 -0.813 1.710 1.00 0.00 O ATOM 360 CB ASN A 25 -8.669 -3.824 1.071 1.00 0.00 C ATOM 361 CG ASN A 25 -8.990 -3.593 2.548 1.00 0.00 C ATOM 362 OD1 ASN A 25 -7.924 -3.333 3.300 1.00 0.00 O flip ATOM 363 ND2 ASN A 25 -10.130 -3.649 2.979 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.854 -3.706 -1.278 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.206 -1.853 0.398 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.520 -4.295 0.579 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.828 -4.512 0.981 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.905 -3.853 2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.309 -3.492 3.971 1.00 0.00 H new ATOM 369 N VAL A 26 -6.010 -2.547 1.010 1.00 0.00 N ATOM 370 CA VAL A 26 -4.800 -2.063 1.652 1.00 0.00 C ATOM 371 C VAL A 26 -4.471 -0.666 1.123 1.00 0.00 C ATOM 372 O VAL A 26 -4.064 0.210 1.884 1.00 0.00 O ATOM 373 CB VAL A 26 -3.662 -3.065 1.446 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.507 -2.788 2.410 1.00 0.00 C ATOM 375 CG2 VAL A 26 -4.165 -4.503 1.591 1.00 0.00 C ATOM 0 H VAL A 26 -5.902 -3.426 0.503 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.947 -1.976 2.729 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.287 -2.942 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.711 -3.514 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.123 -1.783 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.863 -2.870 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.337 -5.195 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.579 -4.645 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.938 -4.695 0.847 1.00 0.00 H new ATOM 385 N LYS A 27 -4.656 -0.502 -0.178 1.00 0.00 N ATOM 386 CA LYS A 27 -4.384 0.774 -0.818 1.00 0.00 C ATOM 387 C LYS A 27 -5.529 1.744 -0.520 1.00 0.00 C ATOM 388 O LYS A 27 -5.394 2.949 -0.724 1.00 0.00 O ATOM 389 CB LYS A 27 -4.116 0.577 -2.312 1.00 0.00 C ATOM 390 CG LYS A 27 -5.287 1.094 -3.151 1.00 0.00 C ATOM 391 CD LYS A 27 -5.048 0.842 -4.640 1.00 0.00 C ATOM 392 CE LYS A 27 -4.818 -0.647 -4.914 1.00 0.00 C ATOM 393 NZ LYS A 27 -3.456 -0.870 -5.449 1.00 0.00 N ATOM 0 H LYS A 27 -4.991 -1.232 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.476 1.219 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.203 1.101 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.954 -0.481 -2.520 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.208 0.602 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.421 2.162 -2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.905 1.193 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.184 1.415 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.952 -1.217 -3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.559 -1.011 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.426 -1.779 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.211 -0.102 -6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.773 -0.886 -4.665 1.00 0.00 H new ATOM 403 N ALA A 28 -6.629 1.182 -0.043 1.00 0.00 N ATOM 404 CA ALA A 28 -7.797 1.982 0.286 1.00 0.00 C ATOM 405 C ALA A 28 -7.645 2.540 1.702 1.00 0.00 C ATOM 406 O ALA A 28 -8.298 3.519 2.060 1.00 0.00 O ATOM 407 CB ALA A 28 -9.059 1.133 0.126 1.00 0.00 C ATOM 0 H ALA A 28 -6.737 0.182 0.124 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.886 2.829 -0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.935 1.733 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.136 0.786 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.007 0.274 0.795 1.00 0.00 H new ATOM 413 N LYS A 29 -6.779 1.894 2.469 1.00 0.00 N ATOM 414 CA LYS A 29 -6.534 2.314 3.838 1.00 0.00 C ATOM 415 C LYS A 29 -5.536 3.474 3.841 1.00 0.00 C ATOM 416 O LYS A 29 -5.357 4.141 4.857 1.00 0.00 O ATOM 417 CB LYS A 29 -6.095 1.124 4.693 1.00 0.00 C ATOM 418 CG LYS A 29 -6.924 -0.120 4.367 1.00 0.00 C ATOM 419 CD LYS A 29 -7.589 -0.682 5.625 1.00 0.00 C ATOM 420 CE LYS A 29 -6.546 -1.030 6.688 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.928 -0.455 7.997 1.00 0.00 N ATOM 0 H LYS A 29 -6.238 1.083 2.168 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.453 2.683 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.039 0.917 4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.203 1.371 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.686 0.130 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.284 -0.880 3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.292 0.048 6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.164 -1.572 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.452 -2.113 6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.570 -0.648 6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.440 -0.969 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.657 0.549 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.956 -0.540 8.127 1.00 0.00 H new ATOM 431 N ILE A 30 -4.912 3.678 2.690 1.00 0.00 N ATOM 432 CA ILE A 30 -3.937 4.745 2.546 1.00 0.00 C ATOM 433 C ILE A 30 -4.537 5.869 1.699 1.00 0.00 C ATOM 434 O ILE A 30 -4.601 7.016 2.138 1.00 0.00 O ATOM 435 CB ILE A 30 -2.619 4.196 1.994 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.837 2.859 1.283 1.00 0.00 C ATOM 437 CG2 ILE A 30 -1.563 4.095 3.096 1.00 0.00 C ATOM 438 CD1 ILE A 30 -1.575 2.423 0.536 1.00 0.00 C ATOM 0 H ILE A 30 -5.063 3.122 1.848 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.695 5.173 3.519 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.241 4.898 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.114 2.097 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.667 2.947 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.636 3.702 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.381 5.084 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.918 3.427 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.757 1.470 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.314 3.176 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.753 2.312 1.244 1.00 0.00 H new ATOM 449 N GLN A 31 -4.963 5.500 0.500 1.00 0.00 N ATOM 450 CA GLN A 31 -5.557 6.463 -0.412 1.00 0.00 C ATOM 451 C GLN A 31 -6.554 7.353 0.331 1.00 0.00 C ATOM 452 O GLN A 31 -6.779 8.498 -0.057 1.00 0.00 O ATOM 453 CB GLN A 31 -6.225 5.757 -1.594 1.00 0.00 C ATOM 454 CG GLN A 31 -5.181 5.198 -2.561 1.00 0.00 C ATOM 455 CD GLN A 31 -4.046 6.199 -2.782 1.00 0.00 C ATOM 456 OE1 GLN A 31 -4.074 7.020 -3.684 1.00 0.00 O ATOM 457 NE2 GLN A 31 -3.048 6.086 -1.910 1.00 0.00 N ATOM 0 H GLN A 31 -4.909 4.548 0.139 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.764 7.096 -0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.857 4.948 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.875 6.457 -2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.777 4.266 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.653 4.962 -3.515 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.088 5.376 -1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.243 6.709 -1.973 1.00 0.00 H new ATOM 464 N ASP A 32 -7.126 6.793 1.387 1.00 0.00 N ATOM 465 CA ASP A 32 -8.095 7.523 2.188 1.00 0.00 C ATOM 466 C ASP A 32 -7.366 8.254 3.318 1.00 0.00 C ATOM 467 O ASP A 32 -7.578 9.448 3.526 1.00 0.00 O ATOM 468 CB ASP A 32 -9.114 6.572 2.820 1.00 0.00 C ATOM 469 CG ASP A 32 -10.563 7.062 2.783 1.00 0.00 C ATOM 470 OD1 ASP A 32 -10.925 7.831 3.698 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.275 6.653 1.840 1.00 0.00 O ATOM 0 H ASP A 32 -6.937 5.843 1.707 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.614 8.225 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.058 5.611 2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.831 6.398 3.858 1.00 0.00 H new ATOM 475 N LYS A 33 -6.525 7.507 4.018 1.00 0.00 N ATOM 476 CA LYS A 33 -5.765 8.071 5.121 1.00 0.00 C ATOM 477 C LYS A 33 -5.326 9.492 4.760 1.00 0.00 C ATOM 478 O LYS A 33 -5.706 10.451 5.430 1.00 0.00 O ATOM 479 CB LYS A 33 -4.607 7.147 5.501 1.00 0.00 C ATOM 480 CG LYS A 33 -5.054 6.094 6.515 1.00 0.00 C ATOM 481 CD LYS A 33 -5.072 6.670 7.933 1.00 0.00 C ATOM 482 CE LYS A 33 -5.384 5.583 8.963 1.00 0.00 C ATOM 483 NZ LYS A 33 -6.595 5.935 9.737 1.00 0.00 N ATOM 0 H LYS A 33 -6.353 6.517 3.843 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.387 8.147 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.221 6.656 4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.790 7.735 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.048 5.731 6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.381 5.237 6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.106 7.122 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.818 7.462 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.532 4.628 8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.537 5.459 9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.793 5.187 10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.440 6.836 10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.404 6.030 9.091 1.00 0.00 H new ATOM 493 N GLU A 34 -4.534 9.581 3.702 1.00 0.00 N ATOM 494 CA GLU A 34 -4.039 10.868 3.244 1.00 0.00 C ATOM 495 C GLU A 34 -5.129 11.609 2.466 1.00 0.00 C ATOM 496 O GLU A 34 -5.409 12.775 2.739 1.00 0.00 O ATOM 497 CB GLU A 34 -2.778 10.701 2.396 1.00 0.00 C ATOM 498 CG GLU A 34 -2.816 9.389 1.609 1.00 0.00 C ATOM 499 CD GLU A 34 -2.150 8.258 2.397 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.337 8.240 3.633 1.00 0.00 O ATOM 501 OE2 GLU A 34 -1.468 7.438 1.745 1.00 0.00 O ATOM 0 H GLU A 34 -4.223 8.783 3.149 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.773 11.464 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.685 11.540 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.898 10.718 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.850 9.123 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.309 9.519 0.653 1.00 0.00 H new ATOM 506 N GLY A 35 -5.715 10.901 1.512 1.00 0.00 N ATOM 507 CA GLY A 35 -6.768 11.476 0.692 1.00 0.00 C ATOM 508 C GLY A 35 -6.324 11.596 -0.767 1.00 0.00 C ATOM 509 O GLY A 35 -6.416 12.668 -1.363 1.00 0.00 O ATOM 0 H GLY A 35 -5.481 9.934 1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.662 10.855 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.036 12.460 1.076 1.00 0.00 H new ATOM 513 N ILE A 36 -5.850 10.479 -1.301 1.00 0.00 N ATOM 514 CA ILE A 36 -5.392 10.445 -2.679 1.00 0.00 C ATOM 515 C ILE A 36 -5.886 9.158 -3.345 1.00 0.00 C ATOM 516 O ILE A 36 -5.899 8.099 -2.722 1.00 0.00 O ATOM 517 CB ILE A 36 -3.874 10.627 -2.743 1.00 0.00 C ATOM 518 CG1 ILE A 36 -3.338 10.271 -4.131 1.00 0.00 C ATOM 519 CG2 ILE A 36 -3.179 9.828 -1.638 1.00 0.00 C ATOM 520 CD1 ILE A 36 -1.830 10.014 -4.087 1.00 0.00 C ATOM 0 H ILE A 36 -5.774 9.592 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.814 11.278 -3.242 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.648 11.679 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.851 9.385 -4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.552 11.082 -4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.101 9.975 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.531 10.170 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.409 8.769 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.474 9.763 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.318 10.909 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.622 9.186 -3.409 1.00 0.00 H new ATOM 531 N PRO A 37 -6.290 9.298 -4.635 1.00 0.00 N ATOM 532 CA PRO A 37 -6.783 8.161 -5.393 1.00 0.00 C ATOM 533 C PRO A 37 -5.634 7.244 -5.816 1.00 0.00 C ATOM 534 O PRO A 37 -4.565 7.718 -6.194 1.00 0.00 O ATOM 535 CB PRO A 37 -7.527 8.766 -6.573 1.00 0.00 C ATOM 536 CG PRO A 37 -7.030 10.197 -6.688 1.00 0.00 C ATOM 537 CD PRO A 37 -6.289 10.538 -5.406 1.00 0.00 C ATOM 0 HA PRO A 37 -7.445 7.521 -4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.328 8.208 -7.488 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.605 8.738 -6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.371 10.304 -7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.866 10.880 -6.839 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.273 10.874 -5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.786 11.342 -4.863 1.00 0.00 H new ATOM 542 N PRO A 38 -5.902 5.913 -5.737 1.00 0.00 N ATOM 543 CA PRO A 38 -4.903 4.925 -6.107 1.00 0.00 C ATOM 544 C PRO A 38 -4.754 4.839 -7.627 1.00 0.00 C ATOM 545 O PRO A 38 -3.709 4.430 -8.130 1.00 0.00 O ATOM 546 CB PRO A 38 -5.384 3.626 -5.483 1.00 0.00 C ATOM 547 CG PRO A 38 -6.861 3.829 -5.183 1.00 0.00 C ATOM 548 CD PRO A 38 -7.158 5.315 -5.293 1.00 0.00 C ATOM 0 HA PRO A 38 -3.906 5.179 -5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.235 2.787 -6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.828 3.401 -4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.474 3.264 -5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.101 3.464 -4.184 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.961 5.507 -6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.476 5.727 -4.335 1.00 0.00 H new ATOM 553 N ASP A 39 -5.816 5.232 -8.317 1.00 0.00 N ATOM 554 CA ASP A 39 -5.816 5.204 -9.770 1.00 0.00 C ATOM 555 C ASP A 39 -4.527 5.845 -10.288 1.00 0.00 C ATOM 556 O ASP A 39 -4.091 5.558 -11.403 1.00 0.00 O ATOM 557 CB ASP A 39 -6.997 5.997 -10.335 1.00 0.00 C ATOM 558 CG ASP A 39 -7.932 5.201 -11.247 1.00 0.00 C ATOM 559 OD1 ASP A 39 -7.978 3.964 -11.073 1.00 0.00 O ATOM 560 OD2 ASP A 39 -8.580 5.847 -12.098 1.00 0.00 O ATOM 0 H ASP A 39 -6.681 5.571 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.893 4.164 -10.088 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.578 6.397 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.609 6.850 -10.892 1.00 0.00 H new ATOM 564 N GLN A 40 -3.951 6.699 -9.455 1.00 0.00 N ATOM 565 CA GLN A 40 -2.719 7.381 -9.814 1.00 0.00 C ATOM 566 C GLN A 40 -1.509 6.515 -9.458 1.00 0.00 C ATOM 567 O GLN A 40 -0.779 6.069 -10.342 1.00 0.00 O ATOM 568 CB GLN A 40 -2.633 8.750 -9.137 1.00 0.00 C ATOM 569 CG GLN A 40 -3.433 9.797 -9.914 1.00 0.00 C ATOM 570 CD GLN A 40 -4.859 9.310 -10.182 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.469 8.807 -9.113 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -5.370 9.386 -11.287 1.00 0.00 N flip ATOM 0 H GLN A 40 -4.315 6.935 -8.532 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.718 7.545 -10.892 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.013 8.680 -8.118 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.591 9.061 -9.068 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.463 10.729 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.935 10.013 -10.859 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.845 9.784 -12.066 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.323 9.052 -11.432 1.00 0.00 H new ATOM 579 N GLN A 41 -1.333 6.304 -8.162 1.00 0.00 N ATOM 580 CA GLN A 41 -0.224 5.501 -7.678 1.00 0.00 C ATOM 581 C GLN A 41 -0.729 4.146 -7.178 1.00 0.00 C ATOM 582 O GLN A 41 -1.834 4.049 -6.647 1.00 0.00 O ATOM 583 CB GLN A 41 0.549 6.237 -6.582 1.00 0.00 C ATOM 584 CG GLN A 41 -0.406 6.866 -5.566 1.00 0.00 C ATOM 585 CD GLN A 41 0.349 7.330 -4.319 1.00 0.00 C ATOM 586 OE1 GLN A 41 1.162 8.239 -4.355 1.00 0.00 O ATOM 587 NE2 GLN A 41 0.036 6.657 -3.215 1.00 0.00 N ATOM 0 H GLN A 41 -1.941 6.676 -7.432 1.00 0.00 H new ATOM 0 HA GLN A 41 0.463 5.328 -8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.219 5.542 -6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.172 7.012 -7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.920 7.713 -6.021 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.171 6.143 -5.284 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.654 5.906 -3.254 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.486 6.892 -2.330 1.00 0.00 H new ATOM 594 N ARG A 42 0.105 3.134 -7.364 1.00 0.00 N ATOM 595 CA ARG A 42 -0.243 1.788 -6.939 1.00 0.00 C ATOM 596 C ARG A 42 0.799 1.258 -5.952 1.00 0.00 C ATOM 597 O ARG A 42 1.800 1.921 -5.684 1.00 0.00 O ATOM 598 CB ARG A 42 -0.333 0.839 -8.135 1.00 0.00 C ATOM 599 CG ARG A 42 -1.273 1.393 -9.207 1.00 0.00 C ATOM 600 CD ARG A 42 -0.499 1.780 -10.468 1.00 0.00 C ATOM 601 NE ARG A 42 -1.429 1.924 -11.610 1.00 0.00 N ATOM 602 CZ ARG A 42 -1.039 2.059 -12.884 1.00 0.00 C ATOM 603 NH1 ARG A 42 0.266 2.069 -13.188 1.00 0.00 N ATOM 604 NH2 ARG A 42 -1.954 2.182 -13.856 1.00 0.00 N ATOM 0 H ARG A 42 1.022 3.219 -7.804 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.218 1.834 -6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.660 0.689 -8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.689 -0.136 -7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.028 0.647 -9.454 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.801 2.264 -8.818 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.035 2.716 -10.304 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.250 1.020 -10.692 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.430 1.920 -11.415 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.963 1.974 -12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.563 2.172 -14.158 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.948 2.173 -13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.657 2.285 -14.826 1.00 0.00 H new ATOM 615 N LEU A 43 0.528 0.067 -5.438 1.00 0.00 N ATOM 616 CA LEU A 43 1.429 -0.560 -4.487 1.00 0.00 C ATOM 617 C LEU A 43 2.278 -1.608 -5.209 1.00 0.00 C ATOM 618 O LEU A 43 1.814 -2.243 -6.155 1.00 0.00 O ATOM 619 CB LEU A 43 0.647 -1.117 -3.295 1.00 0.00 C ATOM 620 CG LEU A 43 0.504 -0.183 -2.091 1.00 0.00 C ATOM 621 CD1 LEU A 43 1.875 0.223 -1.546 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.358 1.033 -2.441 1.00 0.00 C ATOM 0 H LEU A 43 -0.303 -0.480 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 43 2.117 0.177 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.351 -1.392 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.134 -2.034 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.010 -0.724 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.745 0.887 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.421 -0.667 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.437 0.740 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.444 1.681 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.106 1.585 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.350 0.700 -2.745 1.00 0.00 H new ATOM 633 N ILE A 44 3.506 -1.757 -4.736 1.00 0.00 N ATOM 634 CA ILE A 44 4.424 -2.717 -5.325 1.00 0.00 C ATOM 635 C ILE A 44 4.968 -3.636 -4.228 1.00 0.00 C ATOM 636 O ILE A 44 5.098 -3.224 -3.077 1.00 0.00 O ATOM 637 CB ILE A 44 5.514 -1.998 -6.120 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.922 -0.872 -6.970 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.322 -2.987 -6.963 1.00 0.00 C ATOM 640 CD1 ILE A 44 4.213 -1.433 -8.205 1.00 0.00 C ATOM 0 H ILE A 44 3.887 -1.229 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 44 3.903 -3.350 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 44 6.204 -1.539 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.217 -0.293 -6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.714 -0.190 -7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.090 -2.449 -7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.793 -3.721 -6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.659 -3.496 -7.662 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.801 -0.612 -8.792 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.926 -1.991 -8.812 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.406 -2.096 -7.892 1.00 0.00 H new ATOM 651 N PHE A 45 5.269 -4.864 -4.625 1.00 0.00 N ATOM 652 CA PHE A 45 5.795 -5.844 -3.691 1.00 0.00 C ATOM 653 C PHE A 45 6.671 -6.872 -4.410 1.00 0.00 C ATOM 654 O PHE A 45 6.197 -7.591 -5.287 1.00 0.00 O ATOM 655 CB PHE A 45 4.594 -6.560 -3.069 1.00 0.00 C ATOM 656 CG PHE A 45 4.943 -7.422 -1.854 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.372 -6.834 -0.705 1.00 0.00 C ATOM 658 CD2 PHE A 45 4.824 -8.774 -1.923 1.00 0.00 C ATOM 659 CE1 PHE A 45 5.695 -7.634 0.423 1.00 0.00 C ATOM 660 CE2 PHE A 45 5.149 -9.574 -0.796 1.00 0.00 C ATOM 661 CZ PHE A 45 5.577 -8.987 0.354 1.00 0.00 C ATOM 0 H PHE A 45 5.158 -5.202 -5.581 1.00 0.00 H new ATOM 0 HA PHE A 45 6.407 -5.348 -2.938 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.854 -5.816 -2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.128 -7.190 -3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.467 -5.760 -0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.482 -9.240 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.035 -7.168 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.056 -10.649 -0.852 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.823 -9.595 1.212 1.00 0.00 H new ATOM 670 N ALA A 46 7.933 -6.909 -4.010 1.00 0.00 N ATOM 671 CA ALA A 46 8.880 -7.837 -4.605 1.00 0.00 C ATOM 672 C ALA A 46 9.056 -7.498 -6.087 1.00 0.00 C ATOM 673 O ALA A 46 9.398 -8.366 -6.889 1.00 0.00 O ATOM 674 CB ALA A 46 8.393 -9.272 -4.388 1.00 0.00 C ATOM 0 H ALA A 46 8.322 -6.311 -3.281 1.00 0.00 H new ATOM 0 HA ALA A 46 9.856 -7.749 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.103 -9.969 -4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.312 -9.471 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.417 -9.400 -4.856 1.00 0.00 H new ATOM 680 N GLY A 47 8.815 -6.236 -6.405 1.00 0.00 N ATOM 681 CA GLY A 47 8.943 -5.772 -7.776 1.00 0.00 C ATOM 682 C GLY A 47 7.798 -6.301 -8.643 1.00 0.00 C ATOM 683 O GLY A 47 8.005 -6.652 -9.804 1.00 0.00 O ATOM 0 H GLY A 47 8.532 -5.519 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.946 -4.682 -7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.897 -6.101 -8.187 1.00 0.00 H new ATOM 687 N LYS A 48 6.616 -6.343 -8.046 1.00 0.00 N ATOM 688 CA LYS A 48 5.439 -6.824 -8.748 1.00 0.00 C ATOM 689 C LYS A 48 4.322 -5.784 -8.634 1.00 0.00 C ATOM 690 O LYS A 48 4.198 -5.112 -7.611 1.00 0.00 O ATOM 691 CB LYS A 48 5.042 -8.211 -8.242 1.00 0.00 C ATOM 692 CG LYS A 48 6.015 -9.278 -8.746 1.00 0.00 C ATOM 693 CD LYS A 48 6.862 -9.835 -7.600 1.00 0.00 C ATOM 694 CE LYS A 48 6.304 -11.173 -7.107 1.00 0.00 C ATOM 695 NZ LYS A 48 6.150 -11.158 -5.634 1.00 0.00 N ATOM 0 H LYS A 48 6.448 -6.051 -7.083 1.00 0.00 H new ATOM 0 HA LYS A 48 5.653 -6.948 -9.810 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.027 -8.214 -7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.032 -8.448 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.459 -10.088 -9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.666 -8.850 -9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.891 -9.967 -7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.883 -9.120 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.340 -11.368 -7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.972 -11.983 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.479 -11.899 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.072 -11.334 -5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.790 -10.230 -5.332 1.00 0.00 H new ATOM 705 N GLN A 49 3.539 -5.685 -9.697 1.00 0.00 N ATOM 706 CA GLN A 49 2.436 -4.738 -9.729 1.00 0.00 C ATOM 707 C GLN A 49 1.235 -5.297 -8.964 1.00 0.00 C ATOM 708 O GLN A 49 0.398 -5.992 -9.538 1.00 0.00 O ATOM 709 CB GLN A 49 2.055 -4.388 -11.169 1.00 0.00 C ATOM 710 CG GLN A 49 0.721 -3.641 -11.216 1.00 0.00 C ATOM 711 CD GLN A 49 0.338 -3.294 -12.657 1.00 0.00 C ATOM 712 OE1 GLN A 49 1.064 -2.625 -13.375 1.00 0.00 O ATOM 713 NE2 GLN A 49 -0.838 -3.783 -13.037 1.00 0.00 N ATOM 0 H GLN A 49 3.646 -6.244 -10.543 1.00 0.00 H new ATOM 0 HA GLN A 49 2.758 -3.818 -9.240 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.836 -3.774 -11.617 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.987 -5.299 -11.763 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.060 -4.254 -10.766 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.790 -2.728 -10.624 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.395 -4.335 -12.385 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.183 -3.606 -13.980 1.00 0.00 H new ATOM 720 N LEU A 50 1.188 -4.973 -7.680 1.00 0.00 N ATOM 721 CA LEU A 50 0.103 -5.434 -6.831 1.00 0.00 C ATOM 722 C LEU A 50 -1.232 -4.993 -7.434 1.00 0.00 C ATOM 723 O LEU A 50 -1.614 -3.829 -7.321 1.00 0.00 O ATOM 724 CB LEU A 50 0.313 -4.964 -5.390 1.00 0.00 C ATOM 725 CG LEU A 50 0.606 -6.060 -4.364 1.00 0.00 C ATOM 726 CD1 LEU A 50 1.687 -7.015 -4.875 1.00 0.00 C ATOM 727 CD2 LEU A 50 0.971 -5.456 -3.007 1.00 0.00 C ATOM 0 H LEU A 50 1.884 -4.397 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 50 0.089 -6.523 -6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.138 -4.252 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.579 -4.424 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.302 -6.647 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.876 -7.784 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.351 -7.483 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.605 -6.458 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.175 -6.256 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.858 -4.831 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.141 -4.850 -2.644 1.00 0.00 H new ATOM 738 N GLU A 51 -1.907 -5.947 -8.059 1.00 0.00 N ATOM 739 CA GLU A 51 -3.192 -5.672 -8.680 1.00 0.00 C ATOM 740 C GLU A 51 -4.328 -5.971 -7.700 1.00 0.00 C ATOM 741 O GLU A 51 -4.323 -7.006 -7.035 1.00 0.00 O ATOM 742 CB GLU A 51 -3.358 -6.469 -9.974 1.00 0.00 C ATOM 743 CG GLU A 51 -4.428 -5.844 -10.871 1.00 0.00 C ATOM 744 CD GLU A 51 -5.539 -6.847 -11.181 1.00 0.00 C ATOM 745 OE1 GLU A 51 -5.216 -7.872 -11.821 1.00 0.00 O ATOM 746 OE2 GLU A 51 -6.688 -6.568 -10.773 1.00 0.00 O ATOM 0 H GLU A 51 -1.588 -6.912 -8.149 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.230 -4.614 -8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.408 -6.505 -10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.631 -7.498 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.851 -4.967 -10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.973 -5.501 -11.800 1.00 0.00 H new ATOM 751 N ASP A 52 -5.277 -5.047 -7.644 1.00 0.00 N ATOM 752 CA ASP A 52 -6.418 -5.200 -6.757 1.00 0.00 C ATOM 753 C ASP A 52 -7.047 -6.577 -6.975 1.00 0.00 C ATOM 754 O ASP A 52 -7.724 -7.101 -6.091 1.00 0.00 O ATOM 755 CB ASP A 52 -7.485 -4.142 -7.046 1.00 0.00 C ATOM 756 CG ASP A 52 -8.899 -4.509 -6.593 1.00 0.00 C ATOM 757 OD1 ASP A 52 -9.029 -4.932 -5.424 1.00 0.00 O ATOM 758 OD2 ASP A 52 -9.818 -4.358 -7.426 1.00 0.00 O ATOM 0 H ASP A 52 -5.279 -4.191 -8.198 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.066 -5.087 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.194 -3.211 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.502 -3.948 -8.119 1.00 0.00 H new ATOM 762 N GLY A 53 -6.802 -7.124 -8.157 1.00 0.00 N ATOM 763 CA GLY A 53 -7.337 -8.430 -8.502 1.00 0.00 C ATOM 764 C GLY A 53 -6.733 -9.522 -7.615 1.00 0.00 C ATOM 765 O GLY A 53 -7.183 -10.665 -7.639 1.00 0.00 O ATOM 0 H GLY A 53 -6.240 -6.686 -8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.421 -8.424 -8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.126 -8.649 -9.549 1.00 0.00 H new ATOM 769 N ARG A 54 -5.722 -9.129 -6.854 1.00 0.00 N ATOM 770 CA ARG A 54 -5.052 -10.059 -5.961 1.00 0.00 C ATOM 771 C ARG A 54 -4.977 -9.478 -4.548 1.00 0.00 C ATOM 772 O ARG A 54 -5.140 -8.274 -4.358 1.00 0.00 O ATOM 773 CB ARG A 54 -3.636 -10.370 -6.452 1.00 0.00 C ATOM 774 CG ARG A 54 -3.662 -10.951 -7.868 1.00 0.00 C ATOM 775 CD ARG A 54 -3.242 -12.422 -7.864 1.00 0.00 C ATOM 776 NE ARG A 54 -4.208 -13.226 -8.644 1.00 0.00 N ATOM 777 CZ ARG A 54 -4.291 -13.211 -9.981 1.00 0.00 C ATOM 778 NH1 ARG A 54 -3.467 -12.433 -10.695 1.00 0.00 N ATOM 779 NH2 ARG A 54 -5.199 -13.974 -10.605 1.00 0.00 N ATOM 0 H ARG A 54 -5.351 -8.179 -6.837 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.632 -10.982 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.035 -9.461 -6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.159 -11.077 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.664 -10.856 -8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.993 -10.380 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.244 -12.525 -8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.192 -12.792 -6.840 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.851 -13.830 -8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.776 -11.852 -10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.531 -12.422 -11.713 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.827 -14.566 -10.062 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.262 -13.962 -11.623 1.00 0.00 H new ATOM 790 N THR A 55 -4.732 -10.361 -3.591 1.00 0.00 N ATOM 791 CA THR A 55 -4.634 -9.952 -2.201 1.00 0.00 C ATOM 792 C THR A 55 -3.199 -10.112 -1.697 1.00 0.00 C ATOM 793 O THR A 55 -2.272 -10.270 -2.492 1.00 0.00 O ATOM 794 CB THR A 55 -5.654 -10.761 -1.397 1.00 0.00 C ATOM 795 OG1 THR A 55 -5.265 -12.116 -1.605 1.00 0.00 O ATOM 796 CG2 THR A 55 -7.062 -10.683 -1.989 1.00 0.00 C ATOM 0 H THR A 55 -4.598 -11.359 -3.752 1.00 0.00 H new ATOM 0 HA THR A 55 -4.870 -8.894 -2.083 1.00 0.00 H new ATOM 0 HB THR A 55 -5.672 -10.400 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.873 -12.710 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.746 -11.274 -1.380 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.394 -9.645 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.051 -11.074 -3.006 1.00 0.00 H new ATOM 804 N LEU A 56 -3.059 -10.067 -0.381 1.00 0.00 N ATOM 805 CA LEU A 56 -1.752 -10.205 0.238 1.00 0.00 C ATOM 806 C LEU A 56 -1.300 -11.664 0.148 1.00 0.00 C ATOM 807 O LEU A 56 -0.138 -11.942 -0.142 1.00 0.00 O ATOM 808 CB LEU A 56 -1.774 -9.655 1.667 1.00 0.00 C ATOM 809 CG LEU A 56 -2.443 -8.292 1.850 1.00 0.00 C ATOM 810 CD1 LEU A 56 -2.254 -7.776 3.278 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.940 -7.290 0.809 1.00 0.00 C ATOM 0 H LEU A 56 -3.830 -9.937 0.274 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.013 -9.609 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.284 -10.377 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.747 -9.584 2.024 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.514 -8.414 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.739 -6.805 3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.698 -8.480 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.190 -7.674 3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.432 -6.329 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.862 -7.167 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.168 -7.659 -0.191 1.00 0.00 H new ATOM 822 N SER A 57 -2.245 -12.559 0.402 1.00 0.00 N ATOM 823 CA SER A 57 -1.960 -13.982 0.352 1.00 0.00 C ATOM 824 C SER A 57 -1.629 -14.400 -1.082 1.00 0.00 C ATOM 825 O SER A 57 -1.097 -15.487 -1.308 1.00 0.00 O ATOM 826 CB SER A 57 -3.138 -14.799 0.884 1.00 0.00 C ATOM 827 OG SER A 57 -2.795 -16.168 1.078 1.00 0.00 O ATOM 0 H SER A 57 -3.208 -12.325 0.643 1.00 0.00 H new ATOM 0 HA SER A 57 -1.098 -14.180 0.989 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.477 -14.373 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.972 -14.730 0.185 1.00 0.00 H new ATOM 0 HG SER A 57 -2.167 -16.450 0.380 1.00 0.00 H new ATOM 832 N ASP A 58 -1.956 -13.516 -2.013 1.00 0.00 N ATOM 833 CA ASP A 58 -1.699 -13.780 -3.419 1.00 0.00 C ATOM 834 C ASP A 58 -0.238 -13.457 -3.736 1.00 0.00 C ATOM 835 O ASP A 58 0.412 -14.181 -4.489 1.00 0.00 O ATOM 836 CB ASP A 58 -2.582 -12.906 -4.313 1.00 0.00 C ATOM 837 CG ASP A 58 -3.934 -13.518 -4.686 1.00 0.00 C ATOM 838 OD1 ASP A 58 -4.003 -14.766 -4.712 1.00 0.00 O ATOM 839 OD2 ASP A 58 -4.866 -12.725 -4.935 1.00 0.00 O ATOM 0 H ASP A 58 -2.397 -12.616 -1.822 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.919 -14.830 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.757 -11.956 -3.807 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.036 -12.683 -5.230 1.00 0.00 H new ATOM 843 N TYR A 59 0.236 -12.370 -3.145 1.00 0.00 N ATOM 844 CA TYR A 59 1.609 -11.943 -3.355 1.00 0.00 C ATOM 845 C TYR A 59 2.499 -12.363 -2.184 1.00 0.00 C ATOM 846 O TYR A 59 3.667 -11.981 -2.119 1.00 0.00 O ATOM 847 CB TYR A 59 1.568 -10.415 -3.427 1.00 0.00 C ATOM 848 CG TYR A 59 0.765 -9.869 -4.609 1.00 0.00 C ATOM 849 CD1 TYR A 59 1.076 -10.261 -5.895 1.00 0.00 C ATOM 850 CD2 TYR A 59 -0.272 -8.985 -4.388 1.00 0.00 C ATOM 851 CE1 TYR A 59 0.319 -9.747 -7.008 1.00 0.00 C ATOM 852 CE2 TYR A 59 -1.029 -8.471 -5.501 1.00 0.00 C ATOM 853 CZ TYR A 59 -0.696 -8.877 -6.755 1.00 0.00 C ATOM 854 OH TYR A 59 -1.411 -8.392 -7.805 1.00 0.00 O ATOM 0 H TYR A 59 -0.306 -11.772 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 59 2.018 -12.394 -4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.141 -10.029 -2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.588 -10.037 -3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.887 -10.953 -6.067 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.516 -8.679 -3.381 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.552 -10.045 -8.020 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.843 -7.779 -5.343 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.232 -8.934 -8.601 1.00 0.00 H new ATOM 863 N ASN A 60 1.914 -13.143 -1.287 1.00 0.00 N ATOM 864 CA ASN A 60 2.639 -13.619 -0.121 1.00 0.00 C ATOM 865 C ASN A 60 3.042 -12.425 0.746 1.00 0.00 C ATOM 866 O ASN A 60 4.135 -12.404 1.310 1.00 0.00 O ATOM 867 CB ASN A 60 3.915 -14.358 -0.531 1.00 0.00 C ATOM 868 CG ASN A 60 3.583 -15.672 -1.241 1.00 0.00 C ATOM 869 OD1 ASN A 60 3.085 -15.517 -2.464 1.00 0.00 O flip ATOM 870 ND2 ASN A 60 3.768 -16.757 -0.712 1.00 0.00 N flip ATOM 0 H ASN A 60 0.945 -13.458 -1.344 1.00 0.00 H new ATOM 0 HA ASN A 60 1.988 -14.300 0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.511 -13.725 -1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.522 -14.560 0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.154 -16.805 0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.536 -17.615 -1.213 1.00 0.00 H new ATOM 876 N ILE A 61 2.138 -11.460 0.824 1.00 0.00 N ATOM 877 CA ILE A 61 2.385 -10.265 1.613 1.00 0.00 C ATOM 878 C ILE A 61 2.051 -10.548 3.079 1.00 0.00 C ATOM 879 O ILE A 61 0.923 -10.326 3.516 1.00 0.00 O ATOM 880 CB ILE A 61 1.628 -9.071 1.029 1.00 0.00 C ATOM 881 CG1 ILE A 61 2.340 -8.521 -0.208 1.00 0.00 C ATOM 882 CG2 ILE A 61 1.405 -7.992 2.090 1.00 0.00 C ATOM 883 CD1 ILE A 61 1.359 -7.791 -1.127 1.00 0.00 C ATOM 0 H ILE A 61 1.233 -11.481 0.354 1.00 0.00 H new ATOM 0 HA ILE A 61 3.440 -9.994 1.573 1.00 0.00 H new ATOM 0 HB ILE A 61 0.645 -9.414 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.133 -7.839 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.814 -9.338 -0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.865 -7.154 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.823 -8.406 2.913 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.368 -7.646 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.892 -7.410 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.581 -8.482 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.905 -6.960 -0.588 1.00 0.00 H new ATOM 894 N GLN A 62 3.052 -11.036 3.797 1.00 0.00 N ATOM 895 CA GLN A 62 2.878 -11.353 5.204 1.00 0.00 C ATOM 896 C GLN A 62 2.953 -10.078 6.049 1.00 0.00 C ATOM 897 O GLN A 62 2.839 -8.973 5.521 1.00 0.00 O ATOM 898 CB GLN A 62 3.914 -12.379 5.668 1.00 0.00 C ATOM 899 CG GLN A 62 5.313 -11.762 5.716 1.00 0.00 C ATOM 900 CD GLN A 62 6.357 -12.800 6.133 1.00 0.00 C ATOM 901 OE1 GLN A 62 7.142 -13.284 5.334 1.00 0.00 O ATOM 902 NE2 GLN A 62 6.322 -13.114 7.424 1.00 0.00 N ATOM 0 H GLN A 62 3.986 -11.220 3.431 1.00 0.00 H new ATOM 0 HA GLN A 62 1.891 -11.797 5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.644 -12.753 6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.913 -13.234 4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.569 -11.357 4.737 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.323 -10.929 6.419 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.639 -12.671 8.038 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.978 -13.798 7.800 1.00 0.00 H new ATOM 909 N LYS A 63 3.143 -10.276 7.345 1.00 0.00 N ATOM 910 CA LYS A 63 3.235 -9.155 8.266 1.00 0.00 C ATOM 911 C LYS A 63 4.554 -8.416 8.035 1.00 0.00 C ATOM 912 O LYS A 63 5.393 -8.865 7.255 1.00 0.00 O ATOM 913 CB LYS A 63 3.042 -9.631 9.708 1.00 0.00 C ATOM 914 CG LYS A 63 1.677 -10.299 9.886 1.00 0.00 C ATOM 915 CD LYS A 63 1.220 -10.232 11.345 1.00 0.00 C ATOM 916 CE LYS A 63 1.387 -11.587 12.035 1.00 0.00 C ATOM 917 NZ LYS A 63 2.067 -11.425 13.340 1.00 0.00 N ATOM 0 H LYS A 63 3.236 -11.194 7.779 1.00 0.00 H new ATOM 0 HA LYS A 63 2.433 -8.441 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.832 -10.334 9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.128 -8.784 10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.942 -9.808 9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.733 -11.339 9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.798 -9.476 11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.175 -9.924 11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.411 -12.049 12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.965 -12.257 11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.172 -12.355 13.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.006 -11.004 13.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.501 -10.803 13.952 1.00 0.00 H new ATOM 927 N GLU A 64 4.697 -7.295 8.726 1.00 0.00 N ATOM 928 CA GLU A 64 5.899 -6.489 8.605 1.00 0.00 C ATOM 929 C GLU A 64 6.387 -6.476 7.155 1.00 0.00 C ATOM 930 O GLU A 64 7.567 -6.695 6.891 1.00 0.00 O ATOM 931 CB GLU A 64 6.994 -6.993 9.547 1.00 0.00 C ATOM 932 CG GLU A 64 6.440 -7.233 10.953 1.00 0.00 C ATOM 933 CD GLU A 64 6.953 -8.555 11.527 1.00 0.00 C ATOM 934 OE1 GLU A 64 8.165 -8.613 11.824 1.00 0.00 O ATOM 935 OE2 GLU A 64 6.120 -9.479 11.655 1.00 0.00 O ATOM 0 H GLU A 64 3.999 -6.926 9.372 1.00 0.00 H new ATOM 0 HA GLU A 64 5.657 -5.467 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.417 -7.918 9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.804 -6.265 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.731 -6.411 11.607 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.351 -7.245 10.921 1.00 0.00 H new ATOM 940 N SER A 65 5.452 -6.218 6.252 1.00 0.00 N ATOM 941 CA SER A 65 5.771 -6.175 4.836 1.00 0.00 C ATOM 942 C SER A 65 6.128 -4.745 4.424 1.00 0.00 C ATOM 943 O SER A 65 5.641 -3.784 5.017 1.00 0.00 O ATOM 944 CB SER A 65 4.605 -6.694 3.992 1.00 0.00 C ATOM 945 OG SER A 65 3.557 -5.734 3.880 1.00 0.00 O ATOM 0 H SER A 65 4.473 -6.037 6.474 1.00 0.00 H new ATOM 0 HA SER A 65 6.629 -6.823 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.966 -6.955 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.213 -7.608 4.438 1.00 0.00 H new ATOM 0 HG SER A 65 3.310 -5.628 2.938 1.00 0.00 H new ATOM 950 N THR A 66 6.977 -4.650 3.410 1.00 0.00 N ATOM 951 CA THR A 66 7.405 -3.354 2.912 1.00 0.00 C ATOM 952 C THR A 66 7.174 -3.261 1.402 1.00 0.00 C ATOM 953 O THR A 66 7.927 -3.838 0.619 1.00 0.00 O ATOM 954 CB THR A 66 8.865 -3.151 3.317 1.00 0.00 C ATOM 955 OG1 THR A 66 8.845 -3.226 4.740 1.00 0.00 O ATOM 956 CG2 THR A 66 9.363 -1.734 3.026 1.00 0.00 C ATOM 0 H THR A 66 7.379 -5.449 2.921 1.00 0.00 H new ATOM 0 HA THR A 66 6.817 -2.547 3.350 1.00 0.00 H new ATOM 0 HB THR A 66 9.490 -3.871 2.789 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.754 -3.106 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.405 -1.644 3.333 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.280 -1.531 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.759 -1.015 3.580 1.00 0.00 H new ATOM 964 N LEU A 67 6.131 -2.528 1.039 1.00 0.00 N ATOM 965 CA LEU A 67 5.793 -2.351 -0.363 1.00 0.00 C ATOM 966 C LEU A 67 6.589 -1.175 -0.932 1.00 0.00 C ATOM 967 O LEU A 67 7.315 -0.502 -0.201 1.00 0.00 O ATOM 968 CB LEU A 67 4.279 -2.209 -0.535 1.00 0.00 C ATOM 969 CG LEU A 67 3.439 -3.413 -0.103 1.00 0.00 C ATOM 970 CD1 LEU A 67 2.618 -3.090 1.146 1.00 0.00 C ATOM 971 CD2 LEU A 67 2.561 -3.910 -1.254 1.00 0.00 C ATOM 0 H LEU A 67 5.509 -2.050 1.691 1.00 0.00 H new ATOM 0 HA LEU A 67 6.075 -3.234 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.949 -1.339 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.070 -2.003 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 67 4.117 -4.225 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.031 -3.963 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.288 -2.821 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.949 -2.255 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.974 -4.766 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.890 -3.111 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.193 -4.207 -2.091 1.00 0.00 H new ATOM 982 N HIS A 68 6.426 -0.963 -2.230 1.00 0.00 N ATOM 983 CA HIS A 68 7.121 0.120 -2.904 1.00 0.00 C ATOM 984 C HIS A 68 6.119 0.947 -3.712 1.00 0.00 C ATOM 985 O HIS A 68 5.454 0.424 -4.605 1.00 0.00 O ATOM 986 CB HIS A 68 8.270 -0.419 -3.757 1.00 0.00 C ATOM 987 CG HIS A 68 9.200 -1.351 -3.017 1.00 0.00 C ATOM 988 ND1 HIS A 68 8.936 -2.433 -2.229 1.00 0.00 N flip ATOM 989 CD2 HIS A 68 10.576 -1.214 -3.044 1.00 0.00 C flip ATOM 990 CE1 HIS A 68 10.089 -2.930 -1.800 1.00 0.00 C flip ATOM 991 NE2 HIS A 68 11.107 -2.176 -2.304 1.00 0.00 N flip ATOM 0 H HIS A 68 5.823 -1.523 -2.832 1.00 0.00 H new ATOM 0 HA HIS A 68 7.574 0.782 -2.166 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.855 -0.944 -4.617 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.847 0.421 -4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.125 -0.452 -3.578 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.202 -3.790 -1.157 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.102 -2.326 -2.140 1.00 0.00 H new ATOM 998 N LEU A 69 6.043 2.224 -3.370 1.00 0.00 N ATOM 999 CA LEU A 69 5.134 3.129 -4.053 1.00 0.00 C ATOM 1000 C LEU A 69 5.792 3.632 -5.339 1.00 0.00 C ATOM 1001 O LEU A 69 6.977 3.959 -5.347 1.00 0.00 O ATOM 1002 CB LEU A 69 4.686 4.250 -3.112 1.00 0.00 C ATOM 1003 CG LEU A 69 3.175 4.427 -2.951 1.00 0.00 C ATOM 1004 CD1 LEU A 69 2.856 5.592 -2.011 1.00 0.00 C ATOM 1005 CD2 LEU A 69 2.493 4.585 -4.311 1.00 0.00 C ATOM 0 H LEU A 69 6.596 2.654 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 69 4.223 2.606 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.117 4.065 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.105 5.189 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 69 2.773 3.524 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.775 5.696 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.291 5.398 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.274 6.513 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.420 4.709 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.895 5.461 -4.820 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.678 3.697 -4.916 1.00 0.00 H new ATOM 1016 N VAL A 70 4.994 3.677 -6.396 1.00 0.00 N ATOM 1017 CA VAL A 70 5.484 4.134 -7.686 1.00 0.00 C ATOM 1018 C VAL A 70 5.331 5.654 -7.774 1.00 0.00 C ATOM 1019 O VAL A 70 4.976 6.304 -6.792 1.00 0.00 O ATOM 1020 CB VAL A 70 4.760 3.394 -8.813 1.00 0.00 C ATOM 1021 CG1 VAL A 70 4.811 1.880 -8.595 1.00 0.00 C ATOM 1022 CG2 VAL A 70 3.317 3.880 -8.949 1.00 0.00 C ATOM 0 H VAL A 70 4.011 3.404 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 70 6.544 3.906 -7.795 1.00 0.00 H new ATOM 0 HB VAL A 70 5.277 3.616 -9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.289 1.377 -9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.850 1.551 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.330 1.632 -7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.825 3.338 -9.757 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.784 3.702 -8.015 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.312 4.947 -9.172 1.00 0.00 H new ATOM 1032 N LEU A 71 5.608 6.175 -8.961 1.00 0.00 N ATOM 1033 CA LEU A 71 5.506 7.607 -9.190 1.00 0.00 C ATOM 1034 C LEU A 71 4.266 8.147 -8.475 1.00 0.00 C ATOM 1035 O LEU A 71 3.301 7.415 -8.261 1.00 0.00 O ATOM 1036 CB LEU A 71 5.534 7.912 -10.690 1.00 0.00 C ATOM 1037 CG LEU A 71 6.912 7.883 -11.355 1.00 0.00 C ATOM 1038 CD1 LEU A 71 7.794 9.018 -10.835 1.00 0.00 C ATOM 1039 CD2 LEU A 71 7.575 6.515 -11.182 1.00 0.00 C ATOM 0 H LEU A 71 5.902 5.632 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 71 6.367 8.123 -8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.892 7.193 -11.199 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.097 8.898 -10.848 1.00 0.00 H new ATOM 0 HG LEU A 71 6.780 8.043 -12.425 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.768 8.975 -11.323 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.321 9.975 -11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.923 8.914 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.553 6.521 -11.664 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.695 6.300 -10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.950 5.748 -11.639 1.00 0.00 H new ATOM 1050 N ARG A 72 4.333 9.424 -8.127 1.00 0.00 N ATOM 1051 CA ARG A 72 3.227 10.071 -7.440 1.00 0.00 C ATOM 1052 C ARG A 72 2.585 11.124 -8.344 1.00 0.00 C ATOM 1053 O ARG A 72 3.014 12.278 -8.360 1.00 0.00 O ATOM 1054 CB ARG A 72 3.697 10.736 -6.146 1.00 0.00 C ATOM 1055 CG ARG A 72 3.816 9.712 -5.015 1.00 0.00 C ATOM 1056 CD ARG A 72 3.314 10.296 -3.692 1.00 0.00 C ATOM 1057 NE ARG A 72 3.777 9.459 -2.562 1.00 0.00 N ATOM 1058 CZ ARG A 72 3.730 9.840 -1.278 1.00 0.00 C ATOM 1059 NH1 ARG A 72 3.241 11.045 -0.953 1.00 0.00 N ATOM 1060 NH2 ARG A 72 4.174 9.016 -0.319 1.00 0.00 N ATOM 0 H ARG A 72 5.135 10.028 -8.308 1.00 0.00 H new ATOM 0 HA ARG A 72 2.493 9.303 -7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.662 11.216 -6.309 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.995 11.519 -5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.241 8.820 -5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.855 9.401 -4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.679 11.316 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.225 10.346 -3.697 1.00 0.00 H new ATOM 0 HE ARG A 72 4.155 8.536 -2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.904 11.673 -1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.206 11.334 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.547 8.100 -0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.139 9.305 0.659 1.00 0.00 H new ATOM 1071 N LEU A 73 1.568 10.691 -9.074 1.00 0.00 N ATOM 1072 CA LEU A 73 0.863 11.584 -9.979 1.00 0.00 C ATOM 1073 C LEU A 73 0.393 12.819 -9.206 1.00 0.00 C ATOM 1074 O LEU A 73 0.732 12.990 -8.037 1.00 0.00 O ATOM 1075 CB LEU A 73 -0.266 10.840 -10.693 1.00 0.00 C ATOM 1076 CG LEU A 73 0.066 9.430 -11.186 1.00 0.00 C ATOM 1077 CD1 LEU A 73 -0.852 9.022 -12.341 1.00 0.00 C ATOM 1078 CD2 LEU A 73 1.544 9.314 -11.561 1.00 0.00 C ATOM 0 H LEU A 73 1.215 9.734 -9.058 1.00 0.00 H new ATOM 0 HA LEU A 73 1.531 11.934 -10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.117 10.775 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.584 11.437 -11.548 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.115 8.732 -10.369 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.595 8.016 -12.672 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.889 9.039 -12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.727 9.720 -13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.753 8.302 -11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.775 10.025 -12.355 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.159 9.532 -10.688 1.00 0.00 H new ATOM 1089 N ARG A 74 -0.380 13.648 -9.893 1.00 0.00 N ATOM 1090 CA ARG A 74 -0.900 14.861 -9.286 1.00 0.00 C ATOM 1091 C ARG A 74 -2.290 15.179 -9.841 1.00 0.00 C ATOM 1092 O ARG A 74 -2.739 14.551 -10.798 1.00 0.00 O ATOM 1093 CB ARG A 74 0.029 16.049 -9.547 1.00 0.00 C ATOM 1094 CG ARG A 74 0.272 16.237 -11.046 1.00 0.00 C ATOM 1095 CD ARG A 74 1.314 15.242 -11.561 1.00 0.00 C ATOM 1096 NE ARG A 74 0.813 14.571 -12.782 1.00 0.00 N ATOM 1097 CZ ARG A 74 0.640 15.187 -13.959 1.00 0.00 C ATOM 1098 NH1 ARG A 74 0.926 16.491 -14.083 1.00 0.00 N ATOM 1099 NH2 ARG A 74 0.181 14.499 -15.014 1.00 0.00 N ATOM 0 H ARG A 74 -0.658 13.503 -10.864 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.964 14.693 -8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.409 16.956 -9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.980 15.890 -9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.663 16.103 -11.589 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.610 17.255 -11.238 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.248 15.761 -11.778 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.532 14.501 -10.792 1.00 0.00 H new ATOM 0 HE ARG A 74 0.586 13.578 -12.723 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.276 17.015 -13.281 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.794 16.959 -14.980 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.036 13.507 -14.920 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.049 14.968 -15.910 1.00 0.00 H new ATOM 1110 N GLY A 75 -2.933 16.154 -9.214 1.00 0.00 N ATOM 1111 CA GLY A 75 -4.263 16.562 -9.633 1.00 0.00 C ATOM 1112 C GLY A 75 -4.464 18.065 -9.431 1.00 0.00 C ATOM 1113 O GLY A 75 -4.769 18.788 -10.379 1.00 0.00 O ATOM 0 H GLY A 75 -2.558 16.673 -8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.411 16.310 -10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.012 16.011 -9.064 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.285 18.492 -8.190 1.00 0.00 N ATOM 1118 CA GLY A 76 -4.443 19.896 -7.851 1.00 0.00 C ATOM 1119 C GLY A 76 -3.645 20.251 -6.594 1.00 0.00 C ATOM 1120 O GLY A 76 -2.541 20.786 -6.686 1.00 0.00 O ATOM 0 H GLY A 76 -4.032 17.890 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.110 20.515 -8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.498 20.118 -7.691 1.00 0.00 H new TER 1124 GLY A 76