USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 833 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 28 ASN : amide:sc= -0.0785 X(o=-0.081,f=-0.0025) USER MOD Set 1.2: A 48 MET CE :methyl 180:sc= -0.0025 (180deg=-0.0025) USER MOD Set 2.1: A 14 THR OG1 : rot -160:sc=-0.00198 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0733 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl -135:sc= 0 (180deg=-0.00672) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 68:sc= 0.339 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 30 MET CE :methyl 163:sc= 0 (180deg=-0.762) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 37 MET CE :methyl -170:sc= -0.172 (180deg=-0.58) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= 2.19 (180deg=1.23) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 1.29 (180deg=1.15) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.146 K(o=0.15,f=-5.2!) USER MOD Single : A 59 TYR OH : rot 17:sc= 0.566 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 1.07 K(o=1.1,f=-0.18) USER MOD Single : A 74 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.295) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 174:sc= 0 (180deg=-0.0413) USER MOD Single : A 78 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00437 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 100 GLN : amide:sc=-0.000343 X(o=-0.00034,f=-0.46) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.542 10.919 -9.086 1.00 0.00 N ATOM 2 CA GLY A 1 24.168 9.646 -8.428 1.00 0.00 C ATOM 3 C GLY A 1 23.042 9.840 -7.421 1.00 0.00 C ATOM 4 O GLY A 1 22.473 10.929 -7.313 1.00 0.00 O ATOM 0 H1 GLY A 1 24.595 10.775 -10.115 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.826 11.643 -8.874 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.468 11.234 -8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.860 8.923 -9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.039 9.228 -7.923 1.00 0.00 H new ATOM 10 N SER A 2 22.720 8.794 -6.655 1.00 0.00 N ATOM 11 CA SER A 2 21.828 8.888 -5.485 1.00 0.00 C ATOM 12 C SER A 2 22.405 9.829 -4.410 1.00 0.00 C ATOM 13 O SER A 2 23.605 9.801 -4.116 1.00 0.00 O ATOM 14 CB SER A 2 21.531 7.496 -4.898 1.00 0.00 C ATOM 15 OG SER A 2 22.711 6.787 -4.536 1.00 0.00 O ATOM 0 H SER A 2 23.070 7.851 -6.826 1.00 0.00 H new ATOM 0 HA SER A 2 20.886 9.316 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.894 7.605 -4.020 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.970 6.911 -5.627 1.00 0.00 H new ATOM 0 HG SER A 2 22.467 5.912 -4.168 1.00 0.00 H new ATOM 21 N ALA A 3 21.558 10.693 -3.843 1.00 0.00 N ATOM 22 CA ALA A 3 21.919 11.685 -2.823 1.00 0.00 C ATOM 23 C ALA A 3 20.754 11.960 -1.849 1.00 0.00 C ATOM 24 O ALA A 3 19.598 11.625 -2.132 1.00 0.00 O ATOM 25 CB ALA A 3 22.361 12.972 -3.538 1.00 0.00 C ATOM 0 H ALA A 3 20.569 10.723 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 3 22.737 11.296 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 3 22.634 13.724 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 3 23.221 12.759 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 3 21.542 13.347 -4.151 1.00 0.00 H new ATOM 31 N MET A 4 21.052 12.589 -0.708 1.00 0.00 N ATOM 32 CA MET A 4 20.081 12.968 0.331 1.00 0.00 C ATOM 33 C MET A 4 20.553 14.170 1.171 1.00 0.00 C ATOM 34 O MET A 4 21.751 14.470 1.231 1.00 0.00 O ATOM 35 CB MET A 4 19.796 11.748 1.231 1.00 0.00 C ATOM 36 CG MET A 4 21.018 11.279 2.039 1.00 0.00 C ATOM 37 SD MET A 4 20.807 9.685 2.882 1.00 0.00 S ATOM 38 CE MET A 4 21.008 8.553 1.476 1.00 0.00 C ATOM 0 H MET A 4 22.007 12.859 -0.471 1.00 0.00 H new ATOM 0 HA MET A 4 19.163 13.283 -0.166 1.00 0.00 H new ATOM 0 HB2 MET A 4 18.989 11.996 1.920 1.00 0.00 H new ATOM 0 HB3 MET A 4 19.443 10.924 0.611 1.00 0.00 H new ATOM 0 HG2 MET A 4 21.874 11.209 1.368 1.00 0.00 H new ATOM 0 HG3 MET A 4 21.257 12.039 2.783 1.00 0.00 H new ATOM 0 HE1 MET A 4 20.233 7.787 1.512 1.00 0.00 H new ATOM 0 HE2 MET A 4 20.923 9.112 0.544 1.00 0.00 H new ATOM 0 HE3 MET A 4 21.988 8.080 1.527 1.00 0.00 H new ATOM 48 N ALA A 5 19.616 14.825 1.861 1.00 0.00 N ATOM 49 CA ALA A 5 19.854 15.855 2.876 1.00 0.00 C ATOM 50 C ALA A 5 18.715 15.884 3.918 1.00 0.00 C ATOM 51 O ALA A 5 17.622 15.360 3.675 1.00 0.00 O ATOM 52 CB ALA A 5 19.997 17.216 2.176 1.00 0.00 C ATOM 0 H ALA A 5 18.622 14.643 1.720 1.00 0.00 H new ATOM 0 HA ALA A 5 20.773 15.626 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 5 20.175 17.991 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 5 20.836 17.181 1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 5 19.082 17.442 1.629 1.00 0.00 H new ATOM 58 N ASP A 6 18.948 16.529 5.065 1.00 0.00 N ATOM 59 CA ASP A 6 17.958 16.741 6.131 1.00 0.00 C ATOM 60 C ASP A 6 18.155 18.116 6.796 1.00 0.00 C ATOM 61 O ASP A 6 18.949 18.273 7.727 1.00 0.00 O ATOM 62 CB ASP A 6 18.012 15.583 7.144 1.00 0.00 C ATOM 63 CG ASP A 6 16.978 15.736 8.277 1.00 0.00 C ATOM 64 OD1 ASP A 6 15.908 16.357 8.059 1.00 0.00 O ATOM 65 OD2 ASP A 6 17.221 15.206 9.388 1.00 0.00 O ATOM 0 H ASP A 6 19.859 16.931 5.286 1.00 0.00 H new ATOM 0 HA ASP A 6 16.959 16.745 5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 6 17.838 14.641 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.012 15.529 7.575 1.00 0.00 H new ATOM 70 N ILE A 7 17.446 19.123 6.275 1.00 0.00 N ATOM 71 CA ILE A 7 17.547 20.548 6.647 1.00 0.00 C ATOM 72 C ILE A 7 16.198 21.162 7.083 1.00 0.00 C ATOM 73 O ILE A 7 16.101 22.373 7.297 1.00 0.00 O ATOM 74 CB ILE A 7 18.238 21.367 5.525 1.00 0.00 C ATOM 75 CG1 ILE A 7 17.499 21.371 4.161 1.00 0.00 C ATOM 76 CG2 ILE A 7 19.718 20.963 5.381 1.00 0.00 C ATOM 77 CD1 ILE A 7 17.737 20.184 3.212 1.00 0.00 C ATOM 0 H ILE A 7 16.750 18.964 5.546 1.00 0.00 H new ATOM 0 HA ILE A 7 18.181 20.599 7.532 1.00 0.00 H new ATOM 0 HB ILE A 7 18.187 22.405 5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.429 21.431 4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.777 22.283 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 7 20.180 21.551 4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 7 20.239 21.148 6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.783 19.904 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.156 20.325 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.796 20.125 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 7 17.428 19.260 3.700 1.00 0.00 H new ATOM 89 N GLY A 8 15.148 20.343 7.224 1.00 0.00 N ATOM 90 CA GLY A 8 13.772 20.744 7.549 1.00 0.00 C ATOM 91 C GLY A 8 13.329 20.287 8.942 1.00 0.00 C ATOM 92 O GLY A 8 12.493 19.391 9.071 1.00 0.00 O ATOM 0 H GLY A 8 15.239 19.334 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.691 21.829 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.093 20.330 6.804 1.00 0.00 H new ATOM 96 N SER A 9 13.866 20.918 9.991 1.00 0.00 N ATOM 97 CA SER A 9 13.558 20.646 11.415 1.00 0.00 C ATOM 98 C SER A 9 12.161 21.126 11.878 1.00 0.00 C ATOM 99 O SER A 9 11.845 21.089 13.069 1.00 0.00 O ATOM 100 CB SER A 9 14.646 21.269 12.304 1.00 0.00 C ATOM 101 OG SER A 9 15.912 20.665 12.061 1.00 0.00 O ATOM 0 H SER A 9 14.554 21.662 9.877 1.00 0.00 H new ATOM 0 HA SER A 9 13.542 19.561 11.516 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.708 22.340 12.113 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.377 21.148 13.353 1.00 0.00 H new ATOM 0 HG SER A 9 16.588 21.079 12.637 1.00 0.00 H new ATOM 107 N GLU A 10 11.317 21.602 10.959 1.00 0.00 N ATOM 108 CA GLU A 10 10.018 22.252 11.205 1.00 0.00 C ATOM 109 C GLU A 10 8.890 21.323 11.706 1.00 0.00 C ATOM 110 O GLU A 10 7.854 21.810 12.163 1.00 0.00 O ATOM 111 CB GLU A 10 9.552 22.903 9.890 1.00 0.00 C ATOM 112 CG GLU A 10 10.447 24.045 9.390 1.00 0.00 C ATOM 113 CD GLU A 10 10.366 25.270 10.319 1.00 0.00 C ATOM 114 OE1 GLU A 10 9.361 26.016 10.240 1.00 0.00 O ATOM 115 OE2 GLU A 10 11.304 25.488 11.125 1.00 0.00 O ATOM 0 H GLU A 10 11.531 21.543 9.963 1.00 0.00 H new ATOM 0 HA GLU A 10 10.192 22.967 12.009 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.500 22.135 9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.541 23.285 10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.479 23.700 9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.146 24.330 8.382 1.00 0.00 H new ATOM 122 N PHE A 11 9.052 19.999 11.601 1.00 0.00 N ATOM 123 CA PHE A 11 8.015 18.997 11.893 1.00 0.00 C ATOM 124 C PHE A 11 7.735 18.837 13.407 1.00 0.00 C ATOM 125 O PHE A 11 8.210 17.903 14.058 1.00 0.00 O ATOM 126 CB PHE A 11 8.400 17.675 11.204 1.00 0.00 C ATOM 127 CG PHE A 11 7.289 16.639 11.149 1.00 0.00 C ATOM 128 CD1 PHE A 11 6.307 16.719 10.142 1.00 0.00 C ATOM 129 CD2 PHE A 11 7.245 15.581 12.079 1.00 0.00 C ATOM 130 CE1 PHE A 11 5.294 15.746 10.063 1.00 0.00 C ATOM 131 CE2 PHE A 11 6.225 14.616 12.006 1.00 0.00 C ATOM 132 CZ PHE A 11 5.249 14.696 10.997 1.00 0.00 C ATOM 0 H PHE A 11 9.933 19.581 11.302 1.00 0.00 H new ATOM 0 HA PHE A 11 7.065 19.342 11.485 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.725 17.893 10.187 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.254 17.244 11.727 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.332 17.530 9.429 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.997 15.511 12.851 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.549 15.806 9.283 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.191 13.812 12.726 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.467 13.953 10.940 1.00 0.00 H new ATOM 142 N GLU A 12 6.959 19.759 13.986 1.00 0.00 N ATOM 143 CA GLU A 12 6.454 19.687 15.368 1.00 0.00 C ATOM 144 C GLU A 12 5.268 18.709 15.493 1.00 0.00 C ATOM 145 O GLU A 12 5.386 17.661 16.134 1.00 0.00 O ATOM 146 CB GLU A 12 6.050 21.084 15.876 1.00 0.00 C ATOM 147 CG GLU A 12 7.244 22.032 16.045 1.00 0.00 C ATOM 148 CD GLU A 12 6.814 23.317 16.780 1.00 0.00 C ATOM 149 OE1 GLU A 12 6.177 24.201 16.157 1.00 0.00 O ATOM 150 OE2 GLU A 12 7.104 23.451 17.996 1.00 0.00 O ATOM 0 H GLU A 12 6.655 20.600 13.496 1.00 0.00 H new ATOM 0 HA GLU A 12 7.265 19.308 15.989 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.339 21.526 15.178 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.537 20.982 16.832 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.035 21.533 16.605 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.656 22.285 15.068 1.00 0.00 H new ATOM 157 N LYS A 13 4.126 19.055 14.881 1.00 0.00 N ATOM 158 CA LYS A 13 2.856 18.300 14.842 1.00 0.00 C ATOM 159 C LYS A 13 2.170 18.433 13.472 1.00 0.00 C ATOM 160 O LYS A 13 2.584 19.235 12.632 1.00 0.00 O ATOM 161 CB LYS A 13 1.921 18.796 15.974 1.00 0.00 C ATOM 162 CG LYS A 13 2.297 18.350 17.398 1.00 0.00 C ATOM 163 CD LYS A 13 2.231 16.822 17.584 1.00 0.00 C ATOM 164 CE LYS A 13 2.430 16.390 19.044 1.00 0.00 C ATOM 165 NZ LYS A 13 1.243 16.684 19.892 1.00 0.00 N ATOM 0 H LYS A 13 4.056 19.931 14.363 1.00 0.00 H new ATOM 0 HA LYS A 13 3.075 17.243 14.996 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.898 19.885 15.949 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.909 18.451 15.761 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.305 18.696 17.628 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.626 18.827 18.112 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.266 16.459 17.231 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.994 16.352 16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.641 15.321 19.078 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.301 16.900 19.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.428 16.374 20.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.055 17.707 19.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.415 16.177 19.518 1.00 0.00 H new ATOM 179 N THR A 14 1.102 17.662 13.261 1.00 0.00 N ATOM 180 CA THR A 14 0.283 17.619 12.031 1.00 0.00 C ATOM 181 C THR A 14 -1.225 17.730 12.340 1.00 0.00 C ATOM 182 O THR A 14 -1.633 17.460 13.477 1.00 0.00 O ATOM 183 CB THR A 14 0.571 16.328 11.240 1.00 0.00 C ATOM 184 OG1 THR A 14 0.472 15.181 12.051 1.00 0.00 O ATOM 185 CG2 THR A 14 1.969 16.317 10.627 1.00 0.00 C ATOM 0 H THR A 14 0.761 17.016 13.973 1.00 0.00 H new ATOM 0 HA THR A 14 0.559 18.481 11.424 1.00 0.00 H new ATOM 0 HB THR A 14 -0.183 16.310 10.453 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.954 14.439 11.629 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.120 15.386 10.081 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.073 17.159 9.943 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.714 16.398 11.419 1.00 0.00 H new ATOM 193 N PRO A 15 -2.074 18.139 11.372 1.00 0.00 N ATOM 194 CA PRO A 15 -3.511 18.337 11.601 1.00 0.00 C ATOM 195 C PRO A 15 -4.294 17.019 11.738 1.00 0.00 C ATOM 196 O PRO A 15 -3.872 15.965 11.250 1.00 0.00 O ATOM 197 CB PRO A 15 -4.002 19.151 10.395 1.00 0.00 C ATOM 198 CG PRO A 15 -3.048 18.736 9.278 1.00 0.00 C ATOM 199 CD PRO A 15 -1.724 18.561 10.018 1.00 0.00 C ATOM 0 HA PRO A 15 -3.678 18.850 12.548 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.037 18.917 10.147 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.954 20.223 10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.367 17.813 8.795 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.980 19.496 8.500 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.098 17.817 9.527 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.159 19.493 10.033 1.00 0.00 H new ATOM 207 N SER A 16 -5.480 17.102 12.351 1.00 0.00 N ATOM 208 CA SER A 16 -6.423 15.982 12.539 1.00 0.00 C ATOM 209 C SER A 16 -7.556 15.940 11.498 1.00 0.00 C ATOM 210 O SER A 16 -8.264 14.936 11.395 1.00 0.00 O ATOM 211 CB SER A 16 -7.045 16.048 13.942 1.00 0.00 C ATOM 212 OG SER A 16 -6.038 16.055 14.945 1.00 0.00 O ATOM 0 H SER A 16 -5.826 17.977 12.745 1.00 0.00 H new ATOM 0 HA SER A 16 -5.834 15.074 12.410 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.658 16.945 14.030 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.706 15.194 14.091 1.00 0.00 H new ATOM 0 HG SER A 16 -6.458 16.099 15.830 1.00 0.00 H new ATOM 218 N LEU A 17 -7.743 17.014 10.716 1.00 0.00 N ATOM 219 CA LEU A 17 -8.747 17.128 9.649 1.00 0.00 C ATOM 220 C LEU A 17 -8.457 16.103 8.534 1.00 0.00 C ATOM 221 O LEU A 17 -7.488 16.242 7.783 1.00 0.00 O ATOM 222 CB LEU A 17 -8.785 18.590 9.152 1.00 0.00 C ATOM 223 CG LEU A 17 -10.056 18.993 8.373 1.00 0.00 C ATOM 224 CD1 LEU A 17 -10.030 20.501 8.113 1.00 0.00 C ATOM 225 CD2 LEU A 17 -10.213 18.297 7.017 1.00 0.00 C ATOM 0 H LEU A 17 -7.178 17.858 10.814 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.742 16.888 10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.682 19.251 10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.919 18.761 8.513 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.894 18.686 8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.925 20.791 7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.000 21.034 9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.146 20.754 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.131 18.637 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.361 18.540 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.259 17.218 7.165 1.00 0.00 H new ATOM 237 N THR A 18 -9.293 15.064 8.448 1.00 0.00 N ATOM 238 CA THR A 18 -9.151 13.920 7.525 1.00 0.00 C ATOM 239 C THR A 18 -10.463 13.671 6.769 1.00 0.00 C ATOM 240 O THR A 18 -11.549 13.906 7.305 1.00 0.00 O ATOM 241 CB THR A 18 -8.741 12.652 8.305 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.685 12.909 9.209 1.00 0.00 O ATOM 243 CG2 THR A 18 -8.239 11.523 7.403 1.00 0.00 C ATOM 0 H THR A 18 -10.121 14.988 9.039 1.00 0.00 H new ATOM 0 HA THR A 18 -8.372 14.157 6.801 1.00 0.00 H new ATOM 0 HB THR A 18 -9.655 12.353 8.819 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.007 13.487 9.932 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.968 10.662 8.014 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.026 11.238 6.704 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.365 11.863 6.847 1.00 0.00 H new ATOM 251 N ARG A 19 -10.388 13.149 5.535 1.00 0.00 N ATOM 252 CA ARG A 19 -11.544 12.836 4.658 1.00 0.00 C ATOM 253 C ARG A 19 -12.431 11.655 5.117 1.00 0.00 C ATOM 254 O ARG A 19 -13.402 11.317 4.438 1.00 0.00 O ATOM 255 CB ARG A 19 -11.047 12.658 3.206 1.00 0.00 C ATOM 256 CG ARG A 19 -10.298 11.335 2.948 1.00 0.00 C ATOM 257 CD ARG A 19 -9.762 11.249 1.511 1.00 0.00 C ATOM 258 NE ARG A 19 -8.561 12.086 1.309 1.00 0.00 N ATOM 259 CZ ARG A 19 -7.940 12.326 0.167 1.00 0.00 C ATOM 260 NH1 ARG A 19 -8.382 11.876 -0.973 1.00 0.00 N ATOM 261 NH2 ARG A 19 -6.845 13.032 0.149 1.00 0.00 N ATOM 0 H ARG A 19 -9.494 12.923 5.099 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.218 13.690 4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -11.902 12.715 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.388 13.489 2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.469 11.244 3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.968 10.496 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.523 10.212 1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.541 11.562 0.816 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.169 12.526 2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.235 11.318 -1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.875 12.082 -1.834 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.463 13.403 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.370 13.214 -0.735 1.00 0.00 H new ATOM 275 N ARG A 20 -12.089 11.014 6.240 1.00 0.00 N ATOM 276 CA ARG A 20 -12.684 9.790 6.812 1.00 0.00 C ATOM 277 C ARG A 20 -12.835 9.895 8.333 1.00 0.00 C ATOM 278 O ARG A 20 -11.981 10.477 9.008 1.00 0.00 O ATOM 279 CB ARG A 20 -11.761 8.604 6.479 1.00 0.00 C ATOM 280 CG ARG A 20 -12.014 7.924 5.122 1.00 0.00 C ATOM 281 CD ARG A 20 -13.316 7.110 5.076 1.00 0.00 C ATOM 282 NE ARG A 20 -13.347 6.057 6.115 1.00 0.00 N ATOM 283 CZ ARG A 20 -14.384 5.328 6.490 1.00 0.00 C ATOM 284 NH1 ARG A 20 -15.542 5.425 5.903 1.00 0.00 N ATOM 285 NH2 ARG A 20 -14.276 4.486 7.477 1.00 0.00 N ATOM 0 H ARG A 20 -11.328 11.362 6.823 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.677 9.650 6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.729 8.953 6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.863 7.856 7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.044 8.686 4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.176 7.266 4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.167 7.778 5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.423 6.652 4.092 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.467 5.872 6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.669 6.078 5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.323 4.848 6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.387 4.385 7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.081 3.927 7.761 1.00 0.00 H new ATOM 299 N ILE A 21 -13.885 9.270 8.866 1.00 0.00 N ATOM 300 CA ILE A 21 -14.252 9.250 10.295 1.00 0.00 C ATOM 301 C ILE A 21 -13.165 8.628 11.197 1.00 0.00 C ATOM 302 O ILE A 21 -12.339 7.828 10.756 1.00 0.00 O ATOM 303 CB ILE A 21 -15.627 8.546 10.439 1.00 0.00 C ATOM 304 CG1 ILE A 21 -16.342 8.763 11.791 1.00 0.00 C ATOM 305 CG2 ILE A 21 -15.531 7.034 10.163 1.00 0.00 C ATOM 306 CD1 ILE A 21 -16.627 10.234 12.119 1.00 0.00 C ATOM 0 H ILE A 21 -14.538 8.737 8.292 1.00 0.00 H new ATOM 0 HA ILE A 21 -14.333 10.277 10.650 1.00 0.00 H new ATOM 0 HB ILE A 21 -16.238 9.034 9.680 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -17.284 8.214 11.784 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.730 8.336 12.586 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -16.516 6.580 10.275 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -15.170 6.872 9.147 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -14.839 6.578 10.871 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -17.130 10.301 13.084 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -15.688 10.786 12.161 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -17.266 10.662 11.346 1.00 0.00 H new ATOM 318 N ASP A 22 -13.166 8.983 12.484 1.00 0.00 N ATOM 319 CA ASP A 22 -12.252 8.457 13.514 1.00 0.00 C ATOM 320 C ASP A 22 -12.673 7.090 14.098 1.00 0.00 C ATOM 321 O ASP A 22 -11.892 6.458 14.806 1.00 0.00 O ATOM 322 CB ASP A 22 -12.150 9.492 14.645 1.00 0.00 C ATOM 323 CG ASP A 22 -11.451 10.777 14.179 1.00 0.00 C ATOM 324 OD1 ASP A 22 -10.218 10.743 13.950 1.00 0.00 O ATOM 325 OD2 ASP A 22 -12.132 11.822 14.043 1.00 0.00 O ATOM 0 H ASP A 22 -13.824 9.668 12.856 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.290 8.287 13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.149 9.733 15.009 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.601 9.062 15.483 1.00 0.00 H new ATOM 330 N ASP A 23 -13.889 6.613 13.816 1.00 0.00 N ATOM 331 CA ASP A 23 -14.537 5.465 14.480 1.00 0.00 C ATOM 332 C ASP A 23 -13.748 4.138 14.409 1.00 0.00 C ATOM 333 O ASP A 23 -13.890 3.277 15.282 1.00 0.00 O ATOM 334 CB ASP A 23 -15.946 5.301 13.891 1.00 0.00 C ATOM 335 CG ASP A 23 -16.808 4.303 14.685 1.00 0.00 C ATOM 336 OD1 ASP A 23 -17.093 4.567 15.878 1.00 0.00 O ATOM 337 OD2 ASP A 23 -17.246 3.281 14.105 1.00 0.00 O ATOM 0 H ASP A 23 -14.476 7.028 13.092 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.576 5.692 15.545 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.443 6.271 13.873 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.867 4.964 12.857 1.00 0.00 H new ATOM 342 N THR A 24 -12.854 3.990 13.426 1.00 0.00 N ATOM 343 CA THR A 24 -11.930 2.851 13.294 1.00 0.00 C ATOM 344 C THR A 24 -11.004 2.679 14.511 1.00 0.00 C ATOM 345 O THR A 24 -10.632 1.553 14.846 1.00 0.00 O ATOM 346 CB THR A 24 -11.098 2.966 12.004 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.931 3.316 10.915 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.414 1.650 11.632 1.00 0.00 C ATOM 0 H THR A 24 -12.748 4.676 12.678 1.00 0.00 H new ATOM 0 HA THR A 24 -12.554 1.959 13.243 1.00 0.00 H new ATOM 0 HB THR A 24 -10.343 3.728 12.198 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.391 3.388 10.100 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.840 1.785 10.715 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.745 1.347 12.438 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.169 0.879 11.478 1.00 0.00 H new ATOM 356 N ILE A 25 -10.684 3.769 15.227 1.00 0.00 N ATOM 357 CA ILE A 25 -9.964 3.758 16.515 1.00 0.00 C ATOM 358 C ILE A 25 -10.716 2.922 17.565 1.00 0.00 C ATOM 359 O ILE A 25 -10.107 2.117 18.272 1.00 0.00 O ATOM 360 CB ILE A 25 -9.726 5.214 17.002 1.00 0.00 C ATOM 361 CG1 ILE A 25 -8.654 5.919 16.135 1.00 0.00 C ATOM 362 CG2 ILE A 25 -9.303 5.276 18.483 1.00 0.00 C ATOM 363 CD1 ILE A 25 -8.752 7.449 16.131 1.00 0.00 C ATOM 0 H ILE A 25 -10.925 4.711 14.918 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.993 3.285 16.370 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.680 5.732 16.900 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.666 5.631 16.494 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.738 5.559 15.110 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.149 6.315 18.774 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.085 4.837 19.103 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.376 4.720 18.620 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.965 7.862 15.500 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.725 7.750 15.742 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.636 7.824 17.148 1.00 0.00 H new ATOM 375 N PHE A 26 -12.037 3.104 17.669 1.00 0.00 N ATOM 376 CA PHE A 26 -12.884 2.409 18.641 1.00 0.00 C ATOM 377 C PHE A 26 -13.108 0.933 18.266 1.00 0.00 C ATOM 378 O PHE A 26 -13.029 0.057 19.130 1.00 0.00 O ATOM 379 CB PHE A 26 -14.225 3.158 18.798 1.00 0.00 C ATOM 380 CG PHE A 26 -14.632 3.446 20.238 1.00 0.00 C ATOM 381 CD1 PHE A 26 -14.650 2.419 21.204 1.00 0.00 C ATOM 382 CD2 PHE A 26 -15.000 4.753 20.616 1.00 0.00 C ATOM 383 CE1 PHE A 26 -15.013 2.700 22.534 1.00 0.00 C ATOM 384 CE2 PHE A 26 -15.371 5.032 21.944 1.00 0.00 C ATOM 385 CZ PHE A 26 -15.373 4.007 22.905 1.00 0.00 C ATOM 0 H PHE A 26 -12.554 3.748 17.071 1.00 0.00 H new ATOM 0 HA PHE A 26 -12.365 2.408 19.600 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.163 4.102 18.257 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -15.011 2.570 18.324 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.384 1.411 20.921 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.997 5.545 19.882 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.015 1.910 23.271 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -15.655 6.035 22.225 1.00 0.00 H new ATOM 0 HZ PHE A 26 -15.650 4.223 23.926 1.00 0.00 H new ATOM 395 N GLN A 27 -13.389 0.640 16.988 1.00 0.00 N ATOM 396 CA GLN A 27 -13.792 -0.706 16.546 1.00 0.00 C ATOM 397 C GLN A 27 -12.661 -1.759 16.559 1.00 0.00 C ATOM 398 O GLN A 27 -12.953 -2.957 16.542 1.00 0.00 O ATOM 399 CB GLN A 27 -14.485 -0.627 15.168 1.00 0.00 C ATOM 400 CG GLN A 27 -13.532 -0.702 13.959 1.00 0.00 C ATOM 401 CD GLN A 27 -14.208 -0.445 12.609 1.00 0.00 C ATOM 402 OE1 GLN A 27 -15.338 0.014 12.496 1.00 0.00 O ATOM 403 NE2 GLN A 27 -13.542 -0.747 11.515 1.00 0.00 N ATOM 0 H GLN A 27 -13.344 1.325 16.234 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.502 -1.068 17.290 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.208 -1.439 15.094 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.047 0.306 15.113 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.732 0.025 14.096 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.067 -1.688 13.938 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.599 -1.131 11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.969 -0.597 10.601 1.00 0.00 H new ATOM 412 N ASN A 28 -11.387 -1.341 16.565 1.00 0.00 N ATOM 413 CA ASN A 28 -10.227 -2.218 16.367 1.00 0.00 C ATOM 414 C ASN A 28 -9.102 -1.946 17.401 1.00 0.00 C ATOM 415 O ASN A 28 -8.348 -0.982 17.242 1.00 0.00 O ATOM 416 CB ASN A 28 -9.762 -2.074 14.906 1.00 0.00 C ATOM 417 CG ASN A 28 -8.863 -3.230 14.513 1.00 0.00 C ATOM 418 OD1 ASN A 28 -9.317 -4.312 14.174 1.00 0.00 O ATOM 419 ND2 ASN A 28 -7.567 -3.057 14.580 1.00 0.00 N ATOM 0 H ASN A 28 -11.131 -0.365 16.711 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.510 -3.256 16.544 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.628 -2.040 14.245 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.228 -1.132 14.780 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.937 -3.825 14.349 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.187 -2.154 14.863 1.00 0.00 H new ATOM 426 N PRO A 29 -8.948 -2.767 18.464 1.00 0.00 N ATOM 427 CA PRO A 29 -8.105 -2.440 19.624 1.00 0.00 C ATOM 428 C PRO A 29 -6.589 -2.415 19.351 1.00 0.00 C ATOM 429 O PRO A 29 -5.839 -1.825 20.132 1.00 0.00 O ATOM 430 CB PRO A 29 -8.469 -3.475 20.695 1.00 0.00 C ATOM 431 CG PRO A 29 -8.943 -4.678 19.881 1.00 0.00 C ATOM 432 CD PRO A 29 -9.645 -4.026 18.691 1.00 0.00 C ATOM 0 HA PRO A 29 -8.307 -1.415 19.935 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.611 -3.725 21.319 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.250 -3.107 21.360 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.110 -5.306 19.565 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.621 -5.312 20.453 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.596 -4.665 17.809 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.700 -3.856 18.904 1.00 0.00 H new ATOM 440 N MET A 30 -6.127 -2.975 18.225 1.00 0.00 N ATOM 441 CA MET A 30 -4.731 -2.869 17.762 1.00 0.00 C ATOM 442 C MET A 30 -4.292 -1.415 17.518 1.00 0.00 C ATOM 443 O MET A 30 -3.098 -1.121 17.537 1.00 0.00 O ATOM 444 CB MET A 30 -4.538 -3.650 16.454 1.00 0.00 C ATOM 445 CG MET A 30 -4.823 -5.153 16.564 1.00 0.00 C ATOM 446 SD MET A 30 -5.020 -6.010 14.972 1.00 0.00 S ATOM 447 CE MET A 30 -3.544 -5.459 14.072 1.00 0.00 C ATOM 0 H MET A 30 -6.718 -3.522 17.599 1.00 0.00 H new ATOM 0 HA MET A 30 -4.117 -3.287 18.560 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.190 -3.224 15.691 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.513 -3.511 16.110 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.009 -5.623 17.116 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.730 -5.295 17.152 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.369 -6.118 13.222 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.694 -4.440 13.716 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.681 -5.488 14.737 1.00 0.00 H new ATOM 457 N VAL A 31 -5.244 -0.496 17.306 1.00 0.00 N ATOM 458 CA VAL A 31 -4.972 0.935 17.121 1.00 0.00 C ATOM 459 C VAL A 31 -4.278 1.525 18.350 1.00 0.00 C ATOM 460 O VAL A 31 -3.156 2.005 18.233 1.00 0.00 O ATOM 461 CB VAL A 31 -6.249 1.705 16.728 1.00 0.00 C ATOM 462 CG1 VAL A 31 -6.008 3.216 16.682 1.00 0.00 C ATOM 463 CG2 VAL A 31 -6.722 1.253 15.337 1.00 0.00 C ATOM 0 H VAL A 31 -6.236 -0.729 17.258 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.280 1.046 16.286 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.003 1.489 17.485 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.931 3.723 16.401 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.687 3.563 17.664 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.234 3.439 15.948 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.624 1.800 15.064 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.941 1.453 14.604 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.937 0.185 15.355 1.00 0.00 H new ATOM 473 N GLN A 32 -4.885 1.445 19.539 1.00 0.00 N ATOM 474 CA GLN A 32 -4.313 1.998 20.780 1.00 0.00 C ATOM 475 C GLN A 32 -2.916 1.424 21.099 1.00 0.00 C ATOM 476 O GLN A 32 -2.022 2.147 21.545 1.00 0.00 O ATOM 477 CB GLN A 32 -5.277 1.745 21.953 1.00 0.00 C ATOM 478 CG GLN A 32 -6.650 2.419 21.762 1.00 0.00 C ATOM 479 CD GLN A 32 -7.597 2.220 22.949 1.00 0.00 C ATOM 480 OE1 GLN A 32 -7.408 1.385 23.827 1.00 0.00 O ATOM 481 NE2 GLN A 32 -8.668 2.983 23.028 1.00 0.00 N ATOM 0 H GLN A 32 -5.790 0.994 19.672 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.184 3.070 20.631 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.420 0.671 22.073 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.824 2.112 22.874 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.503 3.487 21.600 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.119 2.022 20.862 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.848 3.685 22.310 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.317 2.872 23.807 1.00 0.00 H new ATOM 490 N GLU A 33 -2.704 0.134 20.816 1.00 0.00 N ATOM 491 CA GLU A 33 -1.415 -0.561 20.936 1.00 0.00 C ATOM 492 C GLU A 33 -0.325 0.003 19.999 1.00 0.00 C ATOM 493 O GLU A 33 0.850 -0.016 20.359 1.00 0.00 O ATOM 494 CB GLU A 33 -1.660 -2.062 20.696 1.00 0.00 C ATOM 495 CG GLU A 33 -0.421 -2.970 20.784 1.00 0.00 C ATOM 496 CD GLU A 33 0.245 -2.999 22.175 1.00 0.00 C ATOM 497 OE1 GLU A 33 -0.472 -2.978 23.205 1.00 0.00 O ATOM 498 OE2 GLU A 33 1.495 -3.087 22.250 1.00 0.00 O ATOM 0 H GLU A 33 -3.451 -0.477 20.485 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.022 -0.399 21.940 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.394 -2.411 21.423 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.106 -2.184 19.709 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.708 -3.985 20.510 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.312 -2.637 20.049 1.00 0.00 H new ATOM 505 N ALA A 34 -0.680 0.560 18.834 1.00 0.00 N ATOM 506 CA ALA A 34 0.263 1.288 17.980 1.00 0.00 C ATOM 507 C ALA A 34 0.697 2.623 18.622 1.00 0.00 C ATOM 508 O ALA A 34 1.896 2.850 18.800 1.00 0.00 O ATOM 509 CB ALA A 34 -0.333 1.472 16.579 1.00 0.00 C ATOM 0 H ALA A 34 -1.628 0.518 18.459 1.00 0.00 H new ATOM 0 HA ALA A 34 1.173 0.696 17.877 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.374 2.014 15.951 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.535 0.496 16.139 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.262 2.037 16.650 1.00 0.00 H new ATOM 515 N ILE A 35 -0.246 3.496 19.017 1.00 0.00 N ATOM 516 CA ILE A 35 0.074 4.802 19.639 1.00 0.00 C ATOM 517 C ILE A 35 1.004 4.658 20.858 1.00 0.00 C ATOM 518 O ILE A 35 1.940 5.449 20.996 1.00 0.00 O ATOM 519 CB ILE A 35 -1.197 5.628 19.978 1.00 0.00 C ATOM 520 CG1 ILE A 35 -1.910 6.143 18.704 1.00 0.00 C ATOM 521 CG2 ILE A 35 -0.874 6.858 20.850 1.00 0.00 C ATOM 522 CD1 ILE A 35 -3.107 5.279 18.318 1.00 0.00 C ATOM 0 H ILE A 35 -1.246 3.322 18.917 1.00 0.00 H new ATOM 0 HA ILE A 35 0.623 5.368 18.886 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.846 4.943 20.523 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.243 7.168 18.866 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.200 6.165 17.877 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.793 7.405 21.062 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.422 6.531 21.787 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.179 7.508 20.319 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.572 5.683 17.419 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.773 4.259 18.128 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.832 5.277 19.132 1.00 0.00 H new ATOM 534 N ARG A 36 0.816 3.640 21.717 1.00 0.00 N ATOM 535 CA ARG A 36 1.647 3.449 22.929 1.00 0.00 C ATOM 536 C ARG A 36 3.154 3.284 22.652 1.00 0.00 C ATOM 537 O ARG A 36 3.961 3.568 23.537 1.00 0.00 O ATOM 538 CB ARG A 36 1.081 2.328 23.832 1.00 0.00 C ATOM 539 CG ARG A 36 1.721 0.944 23.627 1.00 0.00 C ATOM 540 CD ARG A 36 1.010 -0.163 24.415 1.00 0.00 C ATOM 541 NE ARG A 36 1.266 -0.084 25.869 1.00 0.00 N ATOM 542 CZ ARG A 36 2.254 -0.652 26.540 1.00 0.00 C ATOM 543 NH1 ARG A 36 3.193 -1.339 25.950 1.00 0.00 N ATOM 544 NH2 ARG A 36 2.322 -0.541 27.836 1.00 0.00 N ATOM 0 H ARG A 36 0.093 2.931 21.597 1.00 0.00 H new ATOM 0 HA ARG A 36 1.579 4.386 23.481 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.210 2.621 24.874 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.009 2.246 23.655 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.706 0.695 22.566 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.767 0.984 23.930 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.063 -0.099 24.235 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.338 -1.134 24.045 1.00 0.00 H new ATOM 0 HE ARG A 36 0.607 0.470 26.416 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.181 -1.453 24.936 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.939 -1.762 26.502 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.610 -0.013 28.341 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.087 -0.982 28.346 1.00 0.00 H new ATOM 558 N MET A 37 3.543 2.858 21.444 1.00 0.00 N ATOM 559 CA MET A 37 4.952 2.743 21.025 1.00 0.00 C ATOM 560 C MET A 37 5.585 4.076 20.570 1.00 0.00 C ATOM 561 O MET A 37 6.798 4.133 20.358 1.00 0.00 O ATOM 562 CB MET A 37 5.110 1.701 19.906 1.00 0.00 C ATOM 563 CG MET A 37 4.540 0.321 20.264 1.00 0.00 C ATOM 564 SD MET A 37 5.423 -1.094 19.538 1.00 0.00 S ATOM 565 CE MET A 37 5.548 -0.577 17.805 1.00 0.00 C ATOM 0 H MET A 37 2.883 2.579 20.718 1.00 0.00 H new ATOM 0 HA MET A 37 5.488 2.424 21.919 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.614 2.068 19.007 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.168 1.596 19.666 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.545 0.214 21.349 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.499 0.282 19.944 1.00 0.00 H new ATOM 0 HE1 MET A 37 5.904 -1.412 17.201 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.567 -0.263 17.447 1.00 0.00 H new ATOM 0 HE3 MET A 37 6.248 0.255 17.723 1.00 0.00 H new ATOM 575 N GLY A 38 4.792 5.144 20.418 1.00 0.00 N ATOM 576 CA GLY A 38 5.235 6.496 20.046 1.00 0.00 C ATOM 577 C GLY A 38 4.676 7.033 18.718 1.00 0.00 C ATOM 578 O GLY A 38 4.946 8.187 18.374 1.00 0.00 O ATOM 0 H GLY A 38 3.783 5.089 20.556 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.954 7.184 20.843 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.324 6.500 19.990 1.00 0.00 H new ATOM 582 N PHE A 39 3.903 6.238 17.967 1.00 0.00 N ATOM 583 CA PHE A 39 3.179 6.697 16.770 1.00 0.00 C ATOM 584 C PHE A 39 2.050 7.702 17.113 1.00 0.00 C ATOM 585 O PHE A 39 1.612 7.802 18.262 1.00 0.00 O ATOM 586 CB PHE A 39 2.597 5.488 16.023 1.00 0.00 C ATOM 587 CG PHE A 39 3.595 4.531 15.392 1.00 0.00 C ATOM 588 CD1 PHE A 39 4.240 4.877 14.188 1.00 0.00 C ATOM 589 CD2 PHE A 39 3.825 3.260 15.954 1.00 0.00 C ATOM 590 CE1 PHE A 39 5.108 3.966 13.560 1.00 0.00 C ATOM 591 CE2 PHE A 39 4.682 2.344 15.320 1.00 0.00 C ATOM 592 CZ PHE A 39 5.324 2.696 14.123 1.00 0.00 C ATOM 0 H PHE A 39 3.760 5.249 18.173 1.00 0.00 H new ATOM 0 HA PHE A 39 3.893 7.220 16.134 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.978 4.923 16.720 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.937 5.858 15.238 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.067 5.847 13.745 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.339 2.987 16.879 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.609 4.242 12.644 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.846 1.369 15.754 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.983 1.993 13.635 1.00 0.00 H new ATOM 602 N SER A 40 1.541 8.423 16.106 1.00 0.00 N ATOM 603 CA SER A 40 0.467 9.426 16.246 1.00 0.00 C ATOM 604 C SER A 40 -0.905 8.864 15.852 1.00 0.00 C ATOM 605 O SER A 40 -1.026 8.205 14.820 1.00 0.00 O ATOM 606 CB SER A 40 0.768 10.642 15.358 1.00 0.00 C ATOM 607 OG SER A 40 1.972 11.279 15.758 1.00 0.00 O ATOM 0 H SER A 40 1.870 8.326 15.145 1.00 0.00 H new ATOM 0 HA SER A 40 0.434 9.713 17.297 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.848 10.326 14.318 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.058 11.351 15.414 1.00 0.00 H new ATOM 0 HG SER A 40 2.143 12.049 15.177 1.00 0.00 H new ATOM 613 N PHE A 41 -1.961 9.189 16.613 1.00 0.00 N ATOM 614 CA PHE A 41 -3.354 8.768 16.358 1.00 0.00 C ATOM 615 C PHE A 41 -3.799 8.982 14.904 1.00 0.00 C ATOM 616 O PHE A 41 -4.329 8.061 14.273 1.00 0.00 O ATOM 617 CB PHE A 41 -4.319 9.493 17.320 1.00 0.00 C ATOM 618 CG PHE A 41 -4.688 8.708 18.564 1.00 0.00 C ATOM 619 CD1 PHE A 41 -5.621 7.657 18.469 1.00 0.00 C ATOM 620 CD2 PHE A 41 -4.132 9.035 19.816 1.00 0.00 C ATOM 621 CE1 PHE A 41 -5.987 6.928 19.615 1.00 0.00 C ATOM 622 CE2 PHE A 41 -4.500 8.305 20.962 1.00 0.00 C ATOM 623 CZ PHE A 41 -5.423 7.249 20.861 1.00 0.00 C ATOM 0 H PHE A 41 -1.871 9.768 17.448 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.387 7.694 16.539 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.865 10.436 17.624 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.233 9.739 16.779 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.057 7.410 17.512 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.423 9.846 19.897 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.701 6.122 19.537 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.072 8.557 21.921 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.698 6.685 21.740 1.00 0.00 H new ATOM 633 N LYS A 42 -3.553 10.185 14.366 1.00 0.00 N ATOM 634 CA LYS A 42 -3.887 10.576 12.988 1.00 0.00 C ATOM 635 C LYS A 42 -3.241 9.692 11.913 1.00 0.00 C ATOM 636 O LYS A 42 -3.851 9.491 10.868 1.00 0.00 O ATOM 637 CB LYS A 42 -3.630 12.085 12.780 1.00 0.00 C ATOM 638 CG LYS A 42 -2.172 12.564 12.933 1.00 0.00 C ATOM 639 CD LYS A 42 -1.305 12.446 11.672 1.00 0.00 C ATOM 640 CE LYS A 42 -1.726 13.426 10.573 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.803 13.330 9.414 1.00 0.00 N ATOM 0 H LYS A 42 -3.103 10.934 14.892 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.954 10.399 12.855 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.974 12.355 11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.246 12.637 13.490 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.181 13.607 13.251 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.701 11.991 13.732 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.263 12.626 11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.366 11.428 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.745 13.208 10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.725 14.443 10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.101 14.000 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.164 13.559 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.825 12.363 9.032 1.00 0.00 H new ATOM 655 N ASP A 43 -2.057 9.125 12.164 1.00 0.00 N ATOM 656 CA ASP A 43 -1.410 8.184 11.237 1.00 0.00 C ATOM 657 C ASP A 43 -2.035 6.786 11.325 1.00 0.00 C ATOM 658 O ASP A 43 -2.194 6.131 10.295 1.00 0.00 O ATOM 659 CB ASP A 43 0.108 8.093 11.483 1.00 0.00 C ATOM 660 CG ASP A 43 0.929 9.251 10.883 1.00 0.00 C ATOM 661 OD1 ASP A 43 0.441 9.979 9.985 1.00 0.00 O ATOM 662 OD2 ASP A 43 2.106 9.400 11.290 1.00 0.00 O ATOM 0 H ASP A 43 -1.519 9.303 13.012 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.574 8.576 10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.287 8.058 12.558 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.474 7.154 11.068 1.00 0.00 H new ATOM 667 N ILE A 44 -2.429 6.326 12.521 1.00 0.00 N ATOM 668 CA ILE A 44 -3.021 4.989 12.676 1.00 0.00 C ATOM 669 C ILE A 44 -4.397 4.913 12.007 1.00 0.00 C ATOM 670 O ILE A 44 -4.635 4.000 11.216 1.00 0.00 O ATOM 671 CB ILE A 44 -3.099 4.501 14.138 1.00 0.00 C ATOM 672 CG1 ILE A 44 -1.899 4.866 15.033 1.00 0.00 C ATOM 673 CG2 ILE A 44 -3.262 2.967 14.115 1.00 0.00 C ATOM 674 CD1 ILE A 44 -0.519 4.585 14.441 1.00 0.00 C ATOM 0 H ILE A 44 -2.350 6.855 13.389 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.337 4.309 12.169 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.948 5.018 14.585 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.960 5.927 15.276 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.990 4.318 15.971 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.320 2.592 15.137 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.175 2.706 13.580 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.406 2.518 13.612 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.250 4.880 15.155 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.425 3.521 14.225 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.396 5.154 13.520 1.00 0.00 H new ATOM 686 N LYS A 45 -5.295 5.883 12.257 1.00 0.00 N ATOM 687 CA LYS A 45 -6.586 5.958 11.540 1.00 0.00 C ATOM 688 C LYS A 45 -6.389 6.059 10.023 1.00 0.00 C ATOM 689 O LYS A 45 -7.052 5.333 9.286 1.00 0.00 O ATOM 690 CB LYS A 45 -7.526 7.036 12.128 1.00 0.00 C ATOM 691 CG LYS A 45 -7.030 8.494 12.099 1.00 0.00 C ATOM 692 CD LYS A 45 -7.346 9.336 10.849 1.00 0.00 C ATOM 693 CE LYS A 45 -8.771 9.904 10.789 1.00 0.00 C ATOM 694 NZ LYS A 45 -9.739 8.991 10.132 1.00 0.00 N ATOM 0 H LYS A 45 -5.154 6.623 12.945 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.107 5.015 11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.472 6.990 11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.737 6.771 13.164 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.450 9.008 12.964 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.948 8.482 12.230 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.639 10.164 10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.179 8.721 9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.113 10.117 11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.754 10.852 10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.494 9.549 9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.249 8.428 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.153 8.355 10.843 1.00 0.00 H new ATOM 708 N LYS A 46 -5.430 6.878 9.566 1.00 0.00 N ATOM 709 CA LYS A 46 -5.089 7.078 8.146 1.00 0.00 C ATOM 710 C LYS A 46 -4.557 5.811 7.467 1.00 0.00 C ATOM 711 O LYS A 46 -4.933 5.542 6.326 1.00 0.00 O ATOM 712 CB LYS A 46 -4.124 8.268 8.016 1.00 0.00 C ATOM 713 CG LYS A 46 -3.594 8.479 6.592 1.00 0.00 C ATOM 714 CD LYS A 46 -2.857 9.820 6.455 1.00 0.00 C ATOM 715 CE LYS A 46 -1.813 9.723 5.336 1.00 0.00 C ATOM 716 NZ LYS A 46 -1.212 11.045 5.016 1.00 0.00 N ATOM 0 H LYS A 46 -4.851 7.438 10.192 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.008 7.311 7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.633 9.175 8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.281 8.116 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.919 7.664 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.424 8.445 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.568 10.616 6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.372 10.078 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.026 9.030 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.279 9.311 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.512 10.933 4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.958 11.700 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.745 11.428 5.862 1.00 0.00 H new ATOM 730 N ILE A 47 -3.715 5.015 8.131 1.00 0.00 N ATOM 731 CA ILE A 47 -3.243 3.752 7.545 1.00 0.00 C ATOM 732 C ILE A 47 -4.311 2.652 7.603 1.00 0.00 C ATOM 733 O ILE A 47 -4.465 1.912 6.636 1.00 0.00 O ATOM 734 CB ILE A 47 -1.876 3.321 8.119 1.00 0.00 C ATOM 735 CG1 ILE A 47 -1.118 2.572 7.007 1.00 0.00 C ATOM 736 CG2 ILE A 47 -1.979 2.491 9.411 1.00 0.00 C ATOM 737 CD1 ILE A 47 0.338 2.264 7.352 1.00 0.00 C ATOM 0 H ILE A 47 -3.349 5.216 9.062 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.070 3.932 6.484 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.327 4.212 8.423 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.636 1.637 6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.147 3.169 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.979 2.226 9.754 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.483 3.076 10.180 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.548 1.582 9.215 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.805 1.736 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.873 3.196 7.537 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.376 1.641 8.245 1.00 0.00 H new ATOM 749 N MET A 48 -5.097 2.579 8.684 1.00 0.00 N ATOM 750 CA MET A 48 -6.235 1.663 8.832 1.00 0.00 C ATOM 751 C MET A 48 -7.280 1.863 7.727 1.00 0.00 C ATOM 752 O MET A 48 -7.575 0.925 6.986 1.00 0.00 O ATOM 753 CB MET A 48 -6.877 1.848 10.216 1.00 0.00 C ATOM 754 CG MET A 48 -6.114 1.113 11.321 1.00 0.00 C ATOM 755 SD MET A 48 -6.612 -0.623 11.470 1.00 0.00 S ATOM 756 CE MET A 48 -5.329 -1.230 12.592 1.00 0.00 C ATOM 0 H MET A 48 -4.955 3.171 9.502 1.00 0.00 H new ATOM 0 HA MET A 48 -5.858 0.645 8.740 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.919 2.911 10.454 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.905 1.487 10.187 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.045 1.165 11.116 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.281 1.619 12.272 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.489 -2.290 12.789 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.350 -1.090 12.135 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.374 -0.676 13.530 1.00 0.00 H new ATOM 766 N GLU A 49 -7.828 3.075 7.590 1.00 0.00 N ATOM 767 CA GLU A 49 -8.827 3.402 6.560 1.00 0.00 C ATOM 768 C GLU A 49 -8.310 3.093 5.142 1.00 0.00 C ATOM 769 O GLU A 49 -9.025 2.488 4.346 1.00 0.00 O ATOM 770 CB GLU A 49 -9.316 4.860 6.715 1.00 0.00 C ATOM 771 CG GLU A 49 -8.258 5.898 6.314 1.00 0.00 C ATOM 772 CD GLU A 49 -8.552 7.342 6.752 1.00 0.00 C ATOM 773 OE1 GLU A 49 -8.963 7.576 7.914 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.315 8.265 5.937 1.00 0.00 O ATOM 0 H GLU A 49 -7.591 3.863 8.193 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.693 2.757 6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.207 5.004 6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.608 5.030 7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.299 5.596 6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.149 5.880 5.230 1.00 0.00 H new ATOM 781 N GLU A 50 -7.055 3.445 4.832 1.00 0.00 N ATOM 782 CA GLU A 50 -6.431 3.196 3.530 1.00 0.00 C ATOM 783 C GLU A 50 -6.213 1.697 3.267 1.00 0.00 C ATOM 784 O GLU A 50 -6.566 1.218 2.191 1.00 0.00 O ATOM 785 CB GLU A 50 -5.123 3.996 3.423 1.00 0.00 C ATOM 786 CG GLU A 50 -4.535 3.966 2.007 1.00 0.00 C ATOM 787 CD GLU A 50 -3.339 4.929 1.888 1.00 0.00 C ATOM 788 OE1 GLU A 50 -2.190 4.518 2.183 1.00 0.00 O ATOM 789 OE2 GLU A 50 -3.535 6.104 1.490 1.00 0.00 O ATOM 0 H GLU A 50 -6.437 3.918 5.491 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.112 3.538 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.307 5.030 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.394 3.591 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.217 2.953 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.303 4.242 1.284 1.00 0.00 H new ATOM 796 N LYS A 51 -5.699 0.931 4.241 1.00 0.00 N ATOM 797 CA LYS A 51 -5.534 -0.531 4.151 1.00 0.00 C ATOM 798 C LYS A 51 -6.858 -1.220 3.819 1.00 0.00 C ATOM 799 O LYS A 51 -6.927 -1.975 2.850 1.00 0.00 O ATOM 800 CB LYS A 51 -4.933 -1.069 5.461 1.00 0.00 C ATOM 801 CG LYS A 51 -4.514 -2.549 5.412 1.00 0.00 C ATOM 802 CD LYS A 51 -3.240 -2.772 4.582 1.00 0.00 C ATOM 803 CE LYS A 51 -2.627 -4.138 4.917 1.00 0.00 C ATOM 804 NZ LYS A 51 -1.261 -4.272 4.355 1.00 0.00 N ATOM 0 H LYS A 51 -5.380 1.316 5.130 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.846 -0.755 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.062 -0.467 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.662 -0.937 6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.351 -2.911 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.327 -3.140 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.475 -2.721 3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.519 -1.981 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.591 -4.267 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.263 -4.930 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.968 -5.269 4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.258 -3.943 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.598 -3.698 4.914 1.00 0.00 H new ATOM 818 N ILE A 52 -7.914 -0.928 4.581 1.00 0.00 N ATOM 819 CA ILE A 52 -9.260 -1.488 4.379 1.00 0.00 C ATOM 820 C ILE A 52 -9.824 -1.080 3.005 1.00 0.00 C ATOM 821 O ILE A 52 -10.333 -1.933 2.281 1.00 0.00 O ATOM 822 CB ILE A 52 -10.198 -1.088 5.543 1.00 0.00 C ATOM 823 CG1 ILE A 52 -9.665 -1.584 6.912 1.00 0.00 C ATOM 824 CG2 ILE A 52 -11.611 -1.666 5.326 1.00 0.00 C ATOM 825 CD1 ILE A 52 -10.283 -0.838 8.102 1.00 0.00 C ATOM 0 H ILE A 52 -7.861 -0.285 5.371 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.190 -2.576 4.382 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.236 0.001 5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.871 -2.650 7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.582 -1.465 6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.255 -1.373 6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.023 -1.280 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.556 -2.753 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.870 -1.230 9.031 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.055 0.225 8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.364 -0.978 8.098 1.00 0.00 H new ATOM 837 N GLN A 53 -9.700 0.193 2.612 1.00 0.00 N ATOM 838 CA GLN A 53 -10.154 0.718 1.316 1.00 0.00 C ATOM 839 C GLN A 53 -9.454 0.050 0.115 1.00 0.00 C ATOM 840 O GLN A 53 -10.119 -0.395 -0.823 1.00 0.00 O ATOM 841 CB GLN A 53 -9.958 2.246 1.316 1.00 0.00 C ATOM 842 CG GLN A 53 -10.465 2.945 0.047 1.00 0.00 C ATOM 843 CD GLN A 53 -10.312 4.463 0.152 1.00 0.00 C ATOM 844 OE1 GLN A 53 -10.993 5.138 0.914 1.00 0.00 O ATOM 845 NE2 GLN A 53 -9.414 5.068 -0.600 1.00 0.00 N ATOM 0 H GLN A 53 -9.270 0.906 3.201 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.210 0.479 1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.473 2.667 2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.897 2.465 1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.911 2.580 -0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.513 2.693 -0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.836 4.525 -1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.297 6.079 -0.540 1.00 0.00 H new ATOM 854 N ILE A 54 -8.117 -0.008 0.125 1.00 0.00 N ATOM 855 CA ILE A 54 -7.280 -0.531 -0.967 1.00 0.00 C ATOM 856 C ILE A 54 -7.295 -2.071 -1.018 1.00 0.00 C ATOM 857 O ILE A 54 -7.577 -2.650 -2.071 1.00 0.00 O ATOM 858 CB ILE A 54 -5.840 0.033 -0.841 1.00 0.00 C ATOM 859 CG1 ILE A 54 -5.784 1.578 -0.973 1.00 0.00 C ATOM 860 CG2 ILE A 54 -4.873 -0.609 -1.853 1.00 0.00 C ATOM 861 CD1 ILE A 54 -6.184 2.160 -2.337 1.00 0.00 C ATOM 0 H ILE A 54 -7.567 0.318 0.920 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.700 -0.194 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.517 -0.230 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.435 2.010 -0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.769 1.904 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.878 -0.182 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.831 -1.685 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.225 -0.415 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.105 3.247 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.520 1.770 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.211 1.877 -2.566 1.00 0.00 H new ATOM 873 N SER A 55 -6.981 -2.744 0.095 1.00 0.00 N ATOM 874 CA SER A 55 -6.835 -4.211 0.170 1.00 0.00 C ATOM 875 C SER A 55 -8.175 -4.956 0.293 1.00 0.00 C ATOM 876 O SER A 55 -8.335 -6.051 -0.254 1.00 0.00 O ATOM 877 CB SER A 55 -5.941 -4.571 1.364 1.00 0.00 C ATOM 878 OG SER A 55 -5.549 -5.933 1.307 1.00 0.00 O ATOM 0 H SER A 55 -6.817 -2.280 0.988 1.00 0.00 H new ATOM 0 HA SER A 55 -6.384 -4.531 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.057 -3.933 1.368 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.475 -4.380 2.295 1.00 0.00 H new ATOM 0 HG SER A 55 -4.979 -6.142 2.076 1.00 0.00 H new ATOM 884 N GLY A 56 -9.151 -4.366 0.994 1.00 0.00 N ATOM 885 CA GLY A 56 -10.486 -4.927 1.255 1.00 0.00 C ATOM 886 C GLY A 56 -10.694 -5.475 2.678 1.00 0.00 C ATOM 887 O GLY A 56 -11.830 -5.792 3.041 1.00 0.00 O ATOM 0 H GLY A 56 -9.028 -3.445 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.231 -4.154 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.672 -5.730 0.542 1.00 0.00 H new ATOM 891 N SER A 57 -9.633 -5.574 3.492 1.00 0.00 N ATOM 892 CA SER A 57 -9.653 -6.129 4.861 1.00 0.00 C ATOM 893 C SER A 57 -8.748 -5.350 5.831 1.00 0.00 C ATOM 894 O SER A 57 -7.850 -4.615 5.417 1.00 0.00 O ATOM 895 CB SER A 57 -9.210 -7.604 4.843 1.00 0.00 C ATOM 896 OG SER A 57 -10.049 -8.403 4.018 1.00 0.00 O ATOM 0 H SER A 57 -8.704 -5.260 3.210 1.00 0.00 H new ATOM 0 HA SER A 57 -10.680 -6.042 5.216 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.182 -7.669 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.220 -7.998 5.859 1.00 0.00 H new ATOM 0 HG SER A 57 -9.734 -9.331 4.032 1.00 0.00 H new ATOM 902 N ASN A 58 -8.977 -5.530 7.139 1.00 0.00 N ATOM 903 CA ASN A 58 -8.166 -4.963 8.227 1.00 0.00 C ATOM 904 C ASN A 58 -6.812 -5.706 8.389 1.00 0.00 C ATOM 905 O ASN A 58 -6.582 -6.761 7.788 1.00 0.00 O ATOM 906 CB ASN A 58 -9.032 -4.987 9.510 1.00 0.00 C ATOM 907 CG ASN A 58 -8.666 -3.909 10.524 1.00 0.00 C ATOM 908 OD1 ASN A 58 -7.541 -3.793 10.981 1.00 0.00 O ATOM 909 ND2 ASN A 58 -9.596 -3.064 10.901 1.00 0.00 N ATOM 0 H ASN A 58 -9.757 -6.092 7.481 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.886 -3.934 8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.079 -4.869 9.232 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.936 -5.964 9.983 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.373 -2.324 11.567 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.542 -3.147 10.528 1.00 0.00 H new ATOM 916 N TYR A 59 -5.917 -5.171 9.222 1.00 0.00 N ATOM 917 CA TYR A 59 -4.638 -5.773 9.611 1.00 0.00 C ATOM 918 C TYR A 59 -4.800 -7.088 10.400 1.00 0.00 C ATOM 919 O TYR A 59 -5.765 -7.278 11.147 1.00 0.00 O ATOM 920 CB TYR A 59 -3.840 -4.745 10.429 1.00 0.00 C ATOM 921 CG TYR A 59 -3.179 -3.695 9.563 1.00 0.00 C ATOM 922 CD1 TYR A 59 -1.964 -4.011 8.931 1.00 0.00 C ATOM 923 CD2 TYR A 59 -3.772 -2.431 9.360 1.00 0.00 C ATOM 924 CE1 TYR A 59 -1.341 -3.077 8.089 1.00 0.00 C ATOM 925 CE2 TYR A 59 -3.143 -1.487 8.525 1.00 0.00 C ATOM 926 CZ TYR A 59 -1.933 -1.815 7.877 1.00 0.00 C ATOM 927 OH TYR A 59 -1.358 -0.940 7.014 1.00 0.00 O ATOM 0 H TYR A 59 -6.070 -4.265 9.665 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.102 -6.038 8.700 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.506 -4.257 11.140 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.077 -5.263 11.011 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.508 -4.976 9.094 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.706 -2.188 9.844 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.409 -3.325 7.604 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.586 -0.513 8.381 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.731 -1.418 6.432 1.00 0.00 H new ATOM 937 N LYS A 60 -3.820 -7.990 10.246 1.00 0.00 N ATOM 938 CA LYS A 60 -3.771 -9.323 10.881 1.00 0.00 C ATOM 939 C LYS A 60 -3.340 -9.247 12.351 1.00 0.00 C ATOM 940 O LYS A 60 -4.072 -9.675 13.244 1.00 0.00 O ATOM 941 CB LYS A 60 -2.826 -10.249 10.087 1.00 0.00 C ATOM 942 CG LYS A 60 -3.241 -10.419 8.617 1.00 0.00 C ATOM 943 CD LYS A 60 -2.285 -11.369 7.886 1.00 0.00 C ATOM 944 CE LYS A 60 -2.640 -11.424 6.395 1.00 0.00 C ATOM 945 NZ LYS A 60 -1.731 -12.331 5.649 1.00 0.00 N ATOM 0 H LYS A 60 -3.009 -7.809 9.655 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.780 -9.735 10.865 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.814 -9.846 10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.799 -11.228 10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.258 -10.808 8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.245 -9.448 8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.256 -11.031 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.348 -12.367 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.669 -11.763 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.584 -10.422 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.001 -12.343 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.752 -11.993 5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.803 -13.292 6.039 1.00 0.00 H new ATOM 959 N SER A 61 -2.145 -8.697 12.576 1.00 0.00 N ATOM 960 CA SER A 61 -1.462 -8.527 13.866 1.00 0.00 C ATOM 961 C SER A 61 -0.601 -7.258 13.846 1.00 0.00 C ATOM 962 O SER A 61 -0.372 -6.672 12.781 1.00 0.00 O ATOM 963 CB SER A 61 -0.560 -9.741 14.158 1.00 0.00 C ATOM 964 OG SER A 61 -1.291 -10.958 14.182 1.00 0.00 O ATOM 0 H SER A 61 -1.586 -8.331 11.806 1.00 0.00 H new ATOM 0 HA SER A 61 -2.220 -8.442 14.645 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.220 -9.803 13.399 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.062 -9.599 15.117 1.00 0.00 H new ATOM 0 HG SER A 61 -0.681 -11.702 14.369 1.00 0.00 H new ATOM 970 N LEU A 62 -0.088 -6.839 15.009 1.00 0.00 N ATOM 971 CA LEU A 62 0.727 -5.623 15.144 1.00 0.00 C ATOM 972 C LEU A 62 1.977 -5.647 14.254 1.00 0.00 C ATOM 973 O LEU A 62 2.344 -4.608 13.722 1.00 0.00 O ATOM 974 CB LEU A 62 1.133 -5.383 16.615 1.00 0.00 C ATOM 975 CG LEU A 62 0.065 -4.818 17.571 1.00 0.00 C ATOM 976 CD1 LEU A 62 -0.530 -3.503 17.064 1.00 0.00 C ATOM 977 CD2 LEU A 62 -1.077 -5.794 17.859 1.00 0.00 C ATOM 0 H LEU A 62 -0.227 -7.336 15.889 1.00 0.00 H new ATOM 0 HA LEU A 62 0.099 -4.798 14.807 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.482 -6.331 17.025 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.983 -4.701 16.621 1.00 0.00 H new ATOM 0 HG LEU A 62 0.604 -4.641 18.502 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.277 -3.145 17.772 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.261 -2.760 16.965 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.998 -3.666 16.093 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.791 -5.329 18.539 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.579 -6.052 16.927 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.676 -6.698 18.317 1.00 0.00 H new ATOM 989 N GLU A 63 2.591 -6.815 14.036 1.00 0.00 N ATOM 990 CA GLU A 63 3.761 -6.996 13.159 1.00 0.00 C ATOM 991 C GLU A 63 3.559 -6.383 11.762 1.00 0.00 C ATOM 992 O GLU A 63 4.400 -5.616 11.289 1.00 0.00 O ATOM 993 CB GLU A 63 4.091 -8.492 13.024 1.00 0.00 C ATOM 994 CG GLU A 63 4.648 -9.101 14.320 1.00 0.00 C ATOM 995 CD GLU A 63 4.898 -10.619 14.195 1.00 0.00 C ATOM 996 OE1 GLU A 63 5.445 -11.084 13.163 1.00 0.00 O ATOM 997 OE2 GLU A 63 4.565 -11.369 15.147 1.00 0.00 O ATOM 0 H GLU A 63 2.283 -7.684 14.473 1.00 0.00 H new ATOM 0 HA GLU A 63 4.592 -6.468 13.627 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.191 -9.033 12.732 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.818 -8.628 12.223 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.581 -8.602 14.581 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.949 -8.916 15.135 1.00 0.00 H new ATOM 1004 N VAL A 64 2.432 -6.694 11.112 1.00 0.00 N ATOM 1005 CA VAL A 64 2.068 -6.156 9.788 1.00 0.00 C ATOM 1006 C VAL A 64 1.741 -4.661 9.881 1.00 0.00 C ATOM 1007 O VAL A 64 2.184 -3.874 9.042 1.00 0.00 O ATOM 1008 CB VAL A 64 0.879 -6.928 9.172 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.689 -6.564 7.694 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.064 -8.451 9.242 1.00 0.00 C ATOM 0 H VAL A 64 1.735 -7.335 11.492 1.00 0.00 H new ATOM 0 HA VAL A 64 2.929 -6.286 9.133 1.00 0.00 H new ATOM 0 HB VAL A 64 0.009 -6.639 9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.154 -7.122 7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.494 -5.495 7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.592 -6.815 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.200 -8.943 8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.965 -8.734 8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.159 -8.759 10.283 1.00 0.00 H new ATOM 1020 N LEU A 65 0.996 -4.262 10.920 1.00 0.00 N ATOM 1021 CA LEU A 65 0.572 -2.881 11.173 1.00 0.00 C ATOM 1022 C LEU A 65 1.778 -1.928 11.294 1.00 0.00 C ATOM 1023 O LEU A 65 1.871 -0.943 10.562 1.00 0.00 O ATOM 1024 CB LEU A 65 -0.328 -2.847 12.432 1.00 0.00 C ATOM 1025 CG LEU A 65 -1.492 -1.835 12.412 1.00 0.00 C ATOM 1026 CD1 LEU A 65 -1.965 -1.595 13.847 1.00 0.00 C ATOM 1027 CD2 LEU A 65 -1.169 -0.475 11.796 1.00 0.00 C ATOM 0 H LEU A 65 0.662 -4.914 11.630 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.008 -2.524 10.322 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.743 -3.843 12.583 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.300 -2.629 13.296 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.253 -2.288 11.777 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.788 -0.881 13.844 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.303 -2.536 14.281 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.141 -1.197 14.440 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.054 0.160 11.832 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.362 -0.004 12.357 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.860 -0.609 10.759 1.00 0.00 H new ATOM 1039 N VAL A 66 2.718 -2.220 12.201 1.00 0.00 N ATOM 1040 CA VAL A 66 3.886 -1.364 12.486 1.00 0.00 C ATOM 1041 C VAL A 66 4.900 -1.340 11.342 1.00 0.00 C ATOM 1042 O VAL A 66 5.499 -0.294 11.088 1.00 0.00 O ATOM 1043 CB VAL A 66 4.564 -1.692 13.832 1.00 0.00 C ATOM 1044 CG1 VAL A 66 3.542 -1.648 14.978 1.00 0.00 C ATOM 1045 CG2 VAL A 66 5.325 -3.024 13.847 1.00 0.00 C ATOM 0 H VAL A 66 2.692 -3.068 12.768 1.00 0.00 H new ATOM 0 HA VAL A 66 3.482 -0.356 12.575 1.00 0.00 H new ATOM 0 HB VAL A 66 5.317 -0.917 13.976 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.040 -1.882 15.919 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.104 -0.651 15.037 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.755 -2.379 14.792 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.771 -3.177 14.830 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.635 -3.840 13.631 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.110 -3.003 13.091 1.00 0.00 H new ATOM 1055 N ALA A 67 5.057 -2.448 10.607 1.00 0.00 N ATOM 1056 CA ALA A 67 5.870 -2.506 9.391 1.00 0.00 C ATOM 1057 C ALA A 67 5.321 -1.569 8.302 1.00 0.00 C ATOM 1058 O ALA A 67 6.058 -0.747 7.753 1.00 0.00 O ATOM 1059 CB ALA A 67 5.945 -3.958 8.907 1.00 0.00 C ATOM 0 H ALA A 67 4.618 -3.337 10.844 1.00 0.00 H new ATOM 0 HA ALA A 67 6.878 -2.157 9.617 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.549 -4.009 8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.399 -4.577 9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.940 -4.323 8.694 1.00 0.00 H new ATOM 1065 N ASP A 68 4.018 -1.650 8.014 1.00 0.00 N ATOM 1066 CA ASP A 68 3.352 -0.741 7.078 1.00 0.00 C ATOM 1067 C ASP A 68 3.392 0.721 7.552 1.00 0.00 C ATOM 1068 O ASP A 68 3.627 1.604 6.729 1.00 0.00 O ATOM 1069 CB ASP A 68 1.904 -1.182 6.839 1.00 0.00 C ATOM 1070 CG ASP A 68 1.732 -2.304 5.805 1.00 0.00 C ATOM 1071 OD1 ASP A 68 2.715 -2.942 5.358 1.00 0.00 O ATOM 1072 OD2 ASP A 68 0.564 -2.519 5.405 1.00 0.00 O ATOM 0 H ASP A 68 3.396 -2.347 8.423 1.00 0.00 H new ATOM 0 HA ASP A 68 3.903 -0.792 6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.479 -1.513 7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.325 -0.317 6.515 1.00 0.00 H new ATOM 1077 N LEU A 69 3.223 0.993 8.853 1.00 0.00 N ATOM 1078 CA LEU A 69 3.350 2.337 9.435 1.00 0.00 C ATOM 1079 C LEU A 69 4.708 2.974 9.129 1.00 0.00 C ATOM 1080 O LEU A 69 4.747 4.038 8.510 1.00 0.00 O ATOM 1081 CB LEU A 69 3.103 2.312 10.952 1.00 0.00 C ATOM 1082 CG LEU A 69 1.622 2.343 11.360 1.00 0.00 C ATOM 1083 CD1 LEU A 69 1.493 1.968 12.836 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.021 3.742 11.176 1.00 0.00 C ATOM 0 H LEU A 69 2.991 0.276 9.541 1.00 0.00 H new ATOM 0 HA LEU A 69 2.583 2.953 8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.562 1.414 11.367 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.608 3.166 11.403 1.00 0.00 H new ATOM 0 HG LEU A 69 1.089 1.636 10.725 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.443 1.990 13.126 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.892 0.966 12.993 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.052 2.680 13.443 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.028 3.730 11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.565 4.456 11.794 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.098 4.036 10.129 1.00 0.00 H new ATOM 1096 N VAL A 70 5.820 2.351 9.539 1.00 0.00 N ATOM 1097 CA VAL A 70 7.155 2.930 9.294 1.00 0.00 C ATOM 1098 C VAL A 70 7.462 3.071 7.799 1.00 0.00 C ATOM 1099 O VAL A 70 8.078 4.057 7.396 1.00 0.00 O ATOM 1100 CB VAL A 70 8.295 2.196 10.031 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.068 2.202 11.545 1.00 0.00 C ATOM 1102 CG2 VAL A 70 8.532 0.753 9.572 1.00 0.00 C ATOM 0 H VAL A 70 5.828 1.460 10.035 1.00 0.00 H new ATOM 0 HA VAL A 70 7.111 3.931 9.722 1.00 0.00 H new ATOM 0 HB VAL A 70 9.191 2.761 9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.887 1.678 12.038 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.028 3.231 11.903 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.127 1.702 11.774 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.351 0.319 10.145 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.627 0.167 9.731 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.787 0.746 8.512 1.00 0.00 H new ATOM 1112 N ASN A 71 6.985 2.144 6.962 1.00 0.00 N ATOM 1113 CA ASN A 71 7.091 2.221 5.503 1.00 0.00 C ATOM 1114 C ASN A 71 6.303 3.412 4.913 1.00 0.00 C ATOM 1115 O ASN A 71 6.824 4.130 4.059 1.00 0.00 O ATOM 1116 CB ASN A 71 6.631 0.878 4.915 1.00 0.00 C ATOM 1117 CG ASN A 71 6.763 0.838 3.402 1.00 0.00 C ATOM 1118 OD1 ASN A 71 7.852 0.903 2.849 1.00 0.00 O ATOM 1119 ND2 ASN A 71 5.668 0.735 2.683 1.00 0.00 N ATOM 0 H ASN A 71 6.506 1.304 7.286 1.00 0.00 H new ATOM 0 HA ASN A 71 8.130 2.405 5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.221 0.072 5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.592 0.699 5.192 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.727 0.709 1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.759 0.681 3.143 1.00 0.00 H new ATOM 1126 N ALA A 72 5.066 3.639 5.365 1.00 0.00 N ATOM 1127 CA ALA A 72 4.206 4.742 4.930 1.00 0.00 C ATOM 1128 C ALA A 72 4.675 6.124 5.435 1.00 0.00 C ATOM 1129 O ALA A 72 4.497 7.126 4.739 1.00 0.00 O ATOM 1130 CB ALA A 72 2.772 4.449 5.390 1.00 0.00 C ATOM 0 H ALA A 72 4.623 3.043 6.064 1.00 0.00 H new ATOM 0 HA ALA A 72 4.258 4.800 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.116 5.260 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.431 3.514 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.749 4.365 6.476 1.00 0.00 H new ATOM 1136 N GLN A 73 5.280 6.193 6.629 1.00 0.00 N ATOM 1137 CA GLN A 73 5.897 7.414 7.168 1.00 0.00 C ATOM 1138 C GLN A 73 7.193 7.806 6.429 1.00 0.00 C ATOM 1139 O GLN A 73 7.472 8.997 6.269 1.00 0.00 O ATOM 1140 CB GLN A 73 6.178 7.246 8.671 1.00 0.00 C ATOM 1141 CG GLN A 73 4.903 7.305 9.531 1.00 0.00 C ATOM 1142 CD GLN A 73 5.218 7.263 11.029 1.00 0.00 C ATOM 1143 OE1 GLN A 73 6.153 6.619 11.487 1.00 0.00 O ATOM 1144 NE2 GLN A 73 4.476 7.965 11.858 1.00 0.00 N ATOM 0 H GLN A 73 5.356 5.392 7.256 1.00 0.00 H new ATOM 0 HA GLN A 73 5.184 8.224 7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.678 6.292 8.837 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.865 8.027 8.996 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.353 8.218 9.302 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.253 6.468 9.274 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.691 8.511 11.503 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.686 7.964 12.856 1.00 0.00 H new ATOM 1153 N LYS A 74 7.984 6.826 5.963 1.00 0.00 N ATOM 1154 CA LYS A 74 9.155 7.035 5.089 1.00 0.00 C ATOM 1155 C LYS A 74 8.760 7.539 3.690 1.00 0.00 C ATOM 1156 O LYS A 74 7.601 7.458 3.280 1.00 0.00 O ATOM 1157 CB LYS A 74 9.965 5.727 5.007 1.00 0.00 C ATOM 1158 CG LYS A 74 10.795 5.510 6.282 1.00 0.00 C ATOM 1159 CD LYS A 74 11.381 4.091 6.331 1.00 0.00 C ATOM 1160 CE LYS A 74 12.322 3.876 7.526 1.00 0.00 C ATOM 1161 NZ LYS A 74 11.642 4.069 8.834 1.00 0.00 N ATOM 0 H LYS A 74 7.826 5.844 6.187 1.00 0.00 H new ATOM 0 HA LYS A 74 9.774 7.818 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.288 4.885 4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.625 5.758 4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.603 6.241 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.170 5.678 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.567 3.368 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.925 3.895 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.735 2.868 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.161 4.568 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.030 4.910 9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.622 4.199 8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.798 3.233 9.433 1.00 0.00 H new ATOM 1175 N ASP A 75 9.746 8.057 2.952 1.00 0.00 N ATOM 1176 CA ASP A 75 9.610 8.684 1.622 1.00 0.00 C ATOM 1177 C ASP A 75 8.514 9.780 1.546 1.00 0.00 C ATOM 1178 O ASP A 75 7.853 9.963 0.519 1.00 0.00 O ATOM 1179 CB ASP A 75 9.483 7.582 0.549 1.00 0.00 C ATOM 1180 CG ASP A 75 9.682 8.104 -0.887 1.00 0.00 C ATOM 1181 OD1 ASP A 75 10.671 8.837 -1.140 1.00 0.00 O ATOM 1182 OD2 ASP A 75 8.888 7.733 -1.788 1.00 0.00 O ATOM 0 H ASP A 75 10.713 8.053 3.277 1.00 0.00 H new ATOM 0 HA ASP A 75 10.520 9.249 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.218 6.802 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.499 7.120 0.627 1.00 0.00 H new ATOM 1187 N SER A 76 8.292 10.502 2.652 1.00 0.00 N ATOM 1188 CA SER A 76 7.301 11.587 2.757 1.00 0.00 C ATOM 1189 C SER A 76 7.608 12.768 1.816 1.00 0.00 C ATOM 1190 O SER A 76 8.757 12.978 1.411 1.00 0.00 O ATOM 1191 CB SER A 76 7.223 12.072 4.210 1.00 0.00 C ATOM 1192 OG SER A 76 6.091 12.909 4.387 1.00 0.00 O ATOM 0 H SER A 76 8.806 10.347 3.519 1.00 0.00 H new ATOM 0 HA SER A 76 6.338 11.181 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.161 11.217 4.884 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.131 12.617 4.469 1.00 0.00 H new ATOM 0 HG SER A 76 6.050 13.211 5.318 1.00 0.00 H new ATOM 1198 N MET A 77 6.579 13.556 1.477 1.00 0.00 N ATOM 1199 CA MET A 77 6.645 14.666 0.509 1.00 0.00 C ATOM 1200 C MET A 77 5.954 15.950 0.995 1.00 0.00 C ATOM 1201 O MET A 77 6.508 17.040 0.833 1.00 0.00 O ATOM 1202 CB MET A 77 6.050 14.231 -0.841 1.00 0.00 C ATOM 1203 CG MET A 77 6.796 13.047 -1.470 1.00 0.00 C ATOM 1204 SD MET A 77 6.288 12.633 -3.165 1.00 0.00 S ATOM 1205 CE MET A 77 7.065 13.997 -4.078 1.00 0.00 C ATOM 0 H MET A 77 5.649 13.438 1.879 1.00 0.00 H new ATOM 0 HA MET A 77 7.702 14.906 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.003 13.961 -0.701 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.072 15.075 -1.530 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.863 13.268 -1.470 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.652 12.170 -0.839 1.00 0.00 H new ATOM 0 HE1 MET A 77 6.940 13.836 -5.149 1.00 0.00 H new ATOM 0 HE2 MET A 77 6.594 14.939 -3.795 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.128 14.036 -3.839 1.00 0.00 H new ATOM 1215 N GLN A 78 4.751 15.848 1.575 1.00 0.00 N ATOM 1216 CA GLN A 78 4.036 16.989 2.160 1.00 0.00 C ATOM 1217 C GLN A 78 4.653 17.388 3.515 1.00 0.00 C ATOM 1218 O GLN A 78 4.808 16.551 4.409 1.00 0.00 O ATOM 1219 CB GLN A 78 2.539 16.648 2.293 1.00 0.00 C ATOM 1220 CG GLN A 78 1.663 17.832 2.741 1.00 0.00 C ATOM 1221 CD GLN A 78 1.623 18.970 1.717 1.00 0.00 C ATOM 1222 OE1 GLN A 78 2.538 19.774 1.598 1.00 0.00 O ATOM 1223 NE2 GLN A 78 0.572 19.086 0.930 1.00 0.00 N ATOM 0 H GLN A 78 4.244 14.966 1.652 1.00 0.00 H new ATOM 0 HA GLN A 78 4.134 17.851 1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.174 16.282 1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.425 15.834 3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 78 0.648 17.478 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.040 18.217 3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.202 18.427 1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.533 19.835 0.239 1.00 0.00 H new ATOM 1232 N ASP A 79 4.982 18.670 3.678 1.00 0.00 N ATOM 1233 CA ASP A 79 5.556 19.264 4.895 1.00 0.00 C ATOM 1234 C ASP A 79 4.918 20.632 5.220 1.00 0.00 C ATOM 1235 O ASP A 79 4.224 21.232 4.396 1.00 0.00 O ATOM 1236 CB ASP A 79 7.083 19.400 4.735 1.00 0.00 C ATOM 1237 CG ASP A 79 7.820 18.060 4.896 1.00 0.00 C ATOM 1238 OD1 ASP A 79 7.874 17.538 6.036 1.00 0.00 O ATOM 1239 OD2 ASP A 79 8.393 17.551 3.903 1.00 0.00 O ATOM 0 H ASP A 79 4.852 19.356 2.935 1.00 0.00 H new ATOM 0 HA ASP A 79 5.338 18.601 5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 79 7.305 19.816 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.460 20.108 5.473 1.00 0.00 H new ATOM 1244 N GLU A 80 5.181 21.144 6.424 1.00 0.00 N ATOM 1245 CA GLU A 80 4.736 22.454 6.925 1.00 0.00 C ATOM 1246 C GLU A 80 5.907 23.252 7.527 1.00 0.00 C ATOM 1247 O GLU A 80 6.964 22.692 7.836 1.00 0.00 O ATOM 1248 CB GLU A 80 3.628 22.253 7.979 1.00 0.00 C ATOM 1249 CG GLU A 80 2.283 21.774 7.405 1.00 0.00 C ATOM 1250 CD GLU A 80 1.598 22.794 6.466 1.00 0.00 C ATOM 1251 OE1 GLU A 80 1.908 24.009 6.514 1.00 0.00 O ATOM 1252 OE2 GLU A 80 0.698 22.385 5.686 1.00 0.00 O ATOM 0 H GLU A 80 5.736 20.635 7.112 1.00 0.00 H new ATOM 0 HA GLU A 80 4.342 23.028 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.973 21.529 8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.470 23.194 8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.444 20.845 6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.608 21.546 8.230 1.00 0.00 H new ATOM 1259 N SER A 81 5.718 24.561 7.718 1.00 0.00 N ATOM 1260 CA SER A 81 6.669 25.466 8.389 1.00 0.00 C ATOM 1261 C SER A 81 5.963 26.626 9.108 1.00 0.00 C ATOM 1262 O SER A 81 4.822 26.972 8.778 1.00 0.00 O ATOM 1263 CB SER A 81 7.698 26.004 7.382 1.00 0.00 C ATOM 1264 OG SER A 81 7.086 26.704 6.307 1.00 0.00 O ATOM 0 H SER A 81 4.874 25.039 7.402 1.00 0.00 H new ATOM 0 HA SER A 81 7.185 24.883 9.152 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.393 26.668 7.896 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.283 25.174 6.986 1.00 0.00 H new ATOM 0 HG SER A 81 7.777 27.029 5.693 1.00 0.00 H new ATOM 1270 N SER A 82 6.627 27.228 10.098 1.00 0.00 N ATOM 1271 CA SER A 82 6.095 28.337 10.916 1.00 0.00 C ATOM 1272 C SER A 82 7.185 29.104 11.684 1.00 0.00 C ATOM 1273 O SER A 82 8.321 28.642 11.828 1.00 0.00 O ATOM 1274 CB SER A 82 5.043 27.808 11.909 1.00 0.00 C ATOM 1275 OG SER A 82 5.581 26.812 12.767 1.00 0.00 O ATOM 0 H SER A 82 7.573 26.956 10.365 1.00 0.00 H new ATOM 0 HA SER A 82 5.639 29.040 10.219 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.660 28.635 12.507 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.198 27.395 11.358 1.00 0.00 H new ATOM 0 HG SER A 82 4.886 26.501 13.384 1.00 0.00 H new ATOM 1281 N GLN A 83 6.843 30.288 12.204 1.00 0.00 N ATOM 1282 CA GLN A 83 7.677 31.041 13.155 1.00 0.00 C ATOM 1283 C GLN A 83 7.511 30.527 14.601 1.00 0.00 C ATOM 1284 O GLN A 83 6.480 29.943 14.950 1.00 0.00 O ATOM 1285 CB GLN A 83 7.363 32.545 13.041 1.00 0.00 C ATOM 1286 CG GLN A 83 5.954 32.948 13.520 1.00 0.00 C ATOM 1287 CD GLN A 83 5.613 34.406 13.207 1.00 0.00 C ATOM 1288 OE1 GLN A 83 6.456 35.296 13.180 1.00 0.00 O ATOM 1289 NE2 GLN A 83 4.359 34.717 12.946 1.00 0.00 N ATOM 0 H GLN A 83 5.968 30.759 11.975 1.00 0.00 H new ATOM 0 HA GLN A 83 8.724 30.884 12.896 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.101 33.101 13.619 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.479 32.848 12.000 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.216 32.298 13.049 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.881 32.786 14.595 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.640 33.994 12.962 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.108 35.681 12.728 1.00 0.00 H new ATOM 1298 N THR A 84 8.499 30.791 15.464 1.00 0.00 N ATOM 1299 CA THR A 84 8.490 30.414 16.893 1.00 0.00 C ATOM 1300 C THR A 84 9.203 31.478 17.733 1.00 0.00 C ATOM 1301 O THR A 84 10.327 31.877 17.417 1.00 0.00 O ATOM 1302 CB THR A 84 9.166 29.046 17.135 1.00 0.00 C ATOM 1303 OG1 THR A 84 8.813 28.087 16.155 1.00 0.00 O ATOM 1304 CG2 THR A 84 8.775 28.443 18.486 1.00 0.00 C ATOM 0 H THR A 84 9.348 31.283 15.188 1.00 0.00 H new ATOM 0 HA THR A 84 7.445 30.340 17.194 1.00 0.00 H new ATOM 0 HB THR A 84 10.235 29.257 17.096 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.265 27.240 16.349 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.273 27.482 18.613 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.078 29.118 19.287 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.695 28.299 18.521 1.00 0.00 H new ATOM 1312 N SER A 85 8.558 31.951 18.804 1.00 0.00 N ATOM 1313 CA SER A 85 9.150 32.850 19.808 1.00 0.00 C ATOM 1314 C SER A 85 10.228 32.163 20.669 1.00 0.00 C ATOM 1315 O SER A 85 10.379 30.937 20.657 1.00 0.00 O ATOM 1316 CB SER A 85 8.033 33.429 20.692 1.00 0.00 C ATOM 1317 OG SER A 85 7.241 32.407 21.287 1.00 0.00 O ATOM 0 H SER A 85 7.586 31.715 19.005 1.00 0.00 H new ATOM 0 HA SER A 85 9.657 33.654 19.274 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.473 34.048 21.474 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.396 34.079 20.092 1.00 0.00 H new ATOM 0 HG SER A 85 6.544 32.815 21.842 1.00 0.00 H new ATOM 1323 N LEU A 86 10.968 32.953 21.453 1.00 0.00 N ATOM 1324 CA LEU A 86 11.952 32.492 22.443 1.00 0.00 C ATOM 1325 C LEU A 86 11.901 33.324 23.739 1.00 0.00 C ATOM 1326 O LEU A 86 11.166 34.310 23.834 1.00 0.00 O ATOM 1327 CB LEU A 86 13.356 32.412 21.792 1.00 0.00 C ATOM 1328 CG LEU A 86 13.886 33.656 21.044 1.00 0.00 C ATOM 1329 CD1 LEU A 86 14.062 34.890 21.930 1.00 0.00 C ATOM 1330 CD2 LEU A 86 15.251 33.326 20.436 1.00 0.00 C ATOM 0 H LEU A 86 10.897 33.970 21.416 1.00 0.00 H new ATOM 0 HA LEU A 86 11.696 31.482 22.761 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.072 32.164 22.575 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.350 31.578 21.090 1.00 0.00 H new ATOM 0 HG LEU A 86 13.136 33.898 20.291 1.00 0.00 H new ATOM 0 HD11 LEU A 86 14.437 35.719 21.329 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.102 35.164 22.367 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.773 34.668 22.726 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.634 34.198 19.906 1.00 0.00 H new ATOM 0 HD22 LEU A 86 15.946 33.050 21.229 1.00 0.00 H new ATOM 0 HD23 LEU A 86 15.147 32.494 19.739 1.00 0.00 H new ATOM 1342 N GLN A 87 12.696 32.928 24.736 1.00 0.00 N ATOM 1343 CA GLN A 87 12.889 33.635 26.008 1.00 0.00 C ATOM 1344 C GLN A 87 14.381 33.812 26.336 1.00 0.00 C ATOM 1345 O GLN A 87 15.236 33.090 25.809 1.00 0.00 O ATOM 1346 CB GLN A 87 12.137 32.904 27.141 1.00 0.00 C ATOM 1347 CG GLN A 87 12.635 31.470 27.411 1.00 0.00 C ATOM 1348 CD GLN A 87 12.000 30.838 28.652 1.00 0.00 C ATOM 1349 OE1 GLN A 87 10.835 31.038 28.977 1.00 0.00 O ATOM 1350 NE2 GLN A 87 12.741 30.052 29.408 1.00 0.00 N ATOM 0 H GLN A 87 13.246 32.071 24.678 1.00 0.00 H new ATOM 0 HA GLN A 87 12.470 34.637 25.912 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.229 33.487 28.057 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.076 32.867 26.892 1.00 0.00 H new ATOM 0 HG2 GLN A 87 12.419 30.847 26.543 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.718 31.485 27.532 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.713 29.871 29.157 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.342 29.625 30.244 1.00 0.00 H new ATOM 1359 N LYS A 88 14.692 34.747 27.240 1.00 0.00 N ATOM 1360 CA LYS A 88 16.034 34.979 27.799 1.00 0.00 C ATOM 1361 C LYS A 88 15.942 35.558 29.218 1.00 0.00 C ATOM 1362 O LYS A 88 14.917 36.127 29.602 1.00 0.00 O ATOM 1363 CB LYS A 88 16.808 35.913 26.839 1.00 0.00 C ATOM 1364 CG LYS A 88 18.340 35.905 26.979 1.00 0.00 C ATOM 1365 CD LYS A 88 18.972 34.540 26.656 1.00 0.00 C ATOM 1366 CE LYS A 88 20.502 34.642 26.685 1.00 0.00 C ATOM 1367 NZ LYS A 88 21.141 33.346 26.334 1.00 0.00 N ATOM 0 H LYS A 88 13.994 35.387 27.618 1.00 0.00 H new ATOM 0 HA LYS A 88 16.574 34.036 27.886 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.555 35.639 25.815 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.454 36.933 26.992 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.763 36.660 26.316 1.00 0.00 H new ATOM 0 HG3 LYS A 88 18.607 36.190 27.997 1.00 0.00 H new ATOM 0 HD2 LYS A 88 18.637 33.796 27.379 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.642 34.202 25.674 1.00 0.00 H new ATOM 0 HE2 LYS A 88 20.830 35.412 25.986 1.00 0.00 H new ATOM 0 HE3 LYS A 88 20.828 34.953 27.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 22.175 33.450 26.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 20.847 32.618 27.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 20.848 33.063 25.377 1.00 0.00 H new ATOM 1381 N GLU A 89 17.020 35.437 29.985 1.00 0.00 N ATOM 1382 CA GLU A 89 17.204 36.036 31.315 1.00 0.00 C ATOM 1383 C GLU A 89 18.635 36.584 31.487 1.00 0.00 C ATOM 1384 O GLU A 89 19.484 36.416 30.607 1.00 0.00 O ATOM 1385 CB GLU A 89 16.796 35.026 32.409 1.00 0.00 C ATOM 1386 CG GLU A 89 17.641 33.742 32.510 1.00 0.00 C ATOM 1387 CD GLU A 89 18.938 33.927 33.327 1.00 0.00 C ATOM 1388 OE1 GLU A 89 18.854 34.144 34.560 1.00 0.00 O ATOM 1389 OE2 GLU A 89 20.047 33.825 32.751 1.00 0.00 O ATOM 0 H GLU A 89 17.831 34.894 29.688 1.00 0.00 H new ATOM 0 HA GLU A 89 16.546 36.899 31.418 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.832 35.534 33.373 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.758 34.739 32.238 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.041 32.955 32.967 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.897 33.404 31.506 1.00 0.00 H new ATOM 1396 N ILE A 90 18.904 37.249 32.614 1.00 0.00 N ATOM 1397 CA ILE A 90 20.223 37.795 32.965 1.00 0.00 C ATOM 1398 C ILE A 90 20.538 37.548 34.447 1.00 0.00 C ATOM 1399 O ILE A 90 19.744 37.882 35.331 1.00 0.00 O ATOM 1400 CB ILE A 90 20.324 39.284 32.545 1.00 0.00 C ATOM 1401 CG1 ILE A 90 21.730 39.886 32.763 1.00 0.00 C ATOM 1402 CG2 ILE A 90 19.288 40.194 33.232 1.00 0.00 C ATOM 1403 CD1 ILE A 90 22.825 39.213 31.926 1.00 0.00 C ATOM 0 H ILE A 90 18.196 37.428 33.326 1.00 0.00 H new ATOM 0 HA ILE A 90 20.995 37.268 32.404 1.00 0.00 H new ATOM 0 HB ILE A 90 20.109 39.259 31.477 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.702 40.949 32.522 1.00 0.00 H new ATOM 0 HG13 ILE A 90 21.990 39.805 33.818 1.00 0.00 H new ATOM 0 HG21 ILE A 90 19.420 41.220 32.889 1.00 0.00 H new ATOM 0 HG22 ILE A 90 18.283 39.855 32.982 1.00 0.00 H new ATOM 0 HG23 ILE A 90 19.427 40.152 34.312 1.00 0.00 H new ATOM 0 HD11 ILE A 90 23.784 39.688 32.132 1.00 0.00 H new ATOM 0 HD12 ILE A 90 22.882 38.155 32.184 1.00 0.00 H new ATOM 0 HD13 ILE A 90 22.589 39.316 30.867 1.00 0.00 H new ATOM 1415 N SER A 91 21.699 36.948 34.725 1.00 0.00 N ATOM 1416 CA SER A 91 22.209 36.737 36.085 1.00 0.00 C ATOM 1417 C SER A 91 22.689 38.058 36.698 1.00 0.00 C ATOM 1418 O SER A 91 23.843 38.464 36.540 1.00 0.00 O ATOM 1419 CB SER A 91 23.318 35.678 36.092 1.00 0.00 C ATOM 1420 OG SER A 91 23.687 35.382 37.430 1.00 0.00 O ATOM 0 H SER A 91 22.321 36.589 34.001 1.00 0.00 H new ATOM 0 HA SER A 91 21.393 36.364 36.704 1.00 0.00 H new ATOM 0 HB2 SER A 91 22.974 34.773 35.591 1.00 0.00 H new ATOM 0 HB3 SER A 91 24.184 36.040 35.537 1.00 0.00 H new ATOM 0 HG SER A 91 24.395 34.704 37.432 1.00 0.00 H new ATOM 1426 N THR A 92 21.796 38.754 37.403 1.00 0.00 N ATOM 1427 CA THR A 92 22.098 39.989 38.153 1.00 0.00 C ATOM 1428 C THR A 92 23.138 39.775 39.258 1.00 0.00 C ATOM 1429 O THR A 92 23.842 40.714 39.623 1.00 0.00 O ATOM 1430 CB THR A 92 20.818 40.592 38.755 1.00 0.00 C ATOM 1431 OG1 THR A 92 20.070 39.593 39.420 1.00 0.00 O ATOM 1432 CG2 THR A 92 19.931 41.227 37.677 1.00 0.00 C ATOM 0 H THR A 92 20.818 38.474 37.474 1.00 0.00 H new ATOM 0 HA THR A 92 22.525 40.686 37.432 1.00 0.00 H new ATOM 0 HB THR A 92 21.128 41.364 39.459 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.259 39.990 39.800 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.036 41.642 38.140 1.00 0.00 H new ATOM 0 HG22 THR A 92 20.482 42.022 37.174 1.00 0.00 H new ATOM 0 HG23 THR A 92 19.644 40.468 36.949 1.00 0.00 H new ATOM 1440 N GLU A 93 23.327 38.538 39.728 1.00 0.00 N ATOM 1441 CA GLU A 93 24.399 38.142 40.654 1.00 0.00 C ATOM 1442 C GLU A 93 25.808 38.420 40.091 1.00 0.00 C ATOM 1443 O GLU A 93 26.733 38.718 40.849 1.00 0.00 O ATOM 1444 CB GLU A 93 24.273 36.646 40.993 1.00 0.00 C ATOM 1445 CG GLU A 93 22.919 36.223 41.588 1.00 0.00 C ATOM 1446 CD GLU A 93 22.624 36.907 42.939 1.00 0.00 C ATOM 1447 OE1 GLU A 93 23.320 36.606 43.940 1.00 0.00 O ATOM 1448 OE2 GLU A 93 21.683 37.733 43.020 1.00 0.00 O ATOM 0 H GLU A 93 22.721 37.759 39.468 1.00 0.00 H new ATOM 0 HA GLU A 93 24.280 38.748 41.552 1.00 0.00 H new ATOM 0 HB2 GLU A 93 24.450 36.068 40.086 1.00 0.00 H new ATOM 0 HB3 GLU A 93 25.061 36.382 41.699 1.00 0.00 H new ATOM 0 HG2 GLU A 93 22.125 36.465 40.882 1.00 0.00 H new ATOM 0 HG3 GLU A 93 22.908 35.141 41.723 1.00 0.00 H new ATOM 1455 N GLU A 94 25.985 38.376 38.765 1.00 0.00 N ATOM 1456 CA GLU A 94 27.247 38.719 38.093 1.00 0.00 C ATOM 1457 C GLU A 94 27.544 40.231 38.137 1.00 0.00 C ATOM 1458 O GLU A 94 28.709 40.626 38.183 1.00 0.00 O ATOM 1459 CB GLU A 94 27.205 38.178 36.651 1.00 0.00 C ATOM 1460 CG GLU A 94 28.564 38.154 35.924 1.00 0.00 C ATOM 1461 CD GLU A 94 29.003 39.498 35.298 1.00 0.00 C ATOM 1462 OE1 GLU A 94 28.148 40.264 34.790 1.00 0.00 O ATOM 1463 OE2 GLU A 94 30.230 39.761 35.241 1.00 0.00 O ATOM 0 H GLU A 94 25.247 38.098 38.119 1.00 0.00 H new ATOM 0 HA GLU A 94 28.071 38.248 38.629 1.00 0.00 H new ATOM 0 HB2 GLU A 94 26.803 37.165 36.671 1.00 0.00 H new ATOM 0 HB3 GLU A 94 26.510 38.786 36.071 1.00 0.00 H new ATOM 0 HG2 GLU A 94 29.330 37.834 36.631 1.00 0.00 H new ATOM 0 HG3 GLU A 94 28.523 37.402 35.136 1.00 0.00 H new ATOM 1470 N GLN A 95 26.518 41.089 38.207 1.00 0.00 N ATOM 1471 CA GLN A 95 26.693 42.542 38.345 1.00 0.00 C ATOM 1472 C GLN A 95 27.273 42.926 39.719 1.00 0.00 C ATOM 1473 O GLN A 95 28.056 43.872 39.817 1.00 0.00 O ATOM 1474 CB GLN A 95 25.364 43.284 38.103 1.00 0.00 C ATOM 1475 CG GLN A 95 24.695 42.987 36.746 1.00 0.00 C ATOM 1476 CD GLN A 95 25.494 43.449 35.524 1.00 0.00 C ATOM 1477 OE1 GLN A 95 26.392 44.281 35.584 1.00 0.00 O ATOM 1478 NE2 GLN A 95 25.183 42.940 34.349 1.00 0.00 N ATOM 0 H GLN A 95 25.542 40.796 38.170 1.00 0.00 H new ATOM 0 HA GLN A 95 27.411 42.848 37.584 1.00 0.00 H new ATOM 0 HB2 GLN A 95 24.668 43.023 38.900 1.00 0.00 H new ATOM 0 HB3 GLN A 95 25.544 44.356 38.176 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.525 41.913 36.667 1.00 0.00 H new ATOM 0 HG3 GLN A 95 23.716 43.467 36.726 1.00 0.00 H new ATOM 0 HE21 GLN A 95 24.439 42.246 34.275 1.00 0.00 H new ATOM 0 HE22 GLN A 95 25.686 43.240 33.514 1.00 0.00 H new ATOM 1487 N LEU A 96 26.949 42.173 40.781 1.00 0.00 N ATOM 1488 CA LEU A 96 27.499 42.374 42.132 1.00 0.00 C ATOM 1489 C LEU A 96 29.010 42.074 42.209 1.00 0.00 C ATOM 1490 O LEU A 96 29.712 42.674 43.024 1.00 0.00 O ATOM 1491 CB LEU A 96 26.729 41.521 43.163 1.00 0.00 C ATOM 1492 CG LEU A 96 25.399 42.126 43.660 1.00 0.00 C ATOM 1493 CD1 LEU A 96 24.309 42.191 42.589 1.00 0.00 C ATOM 1494 CD2 LEU A 96 24.858 41.279 44.812 1.00 0.00 C ATOM 0 H LEU A 96 26.289 41.397 40.726 1.00 0.00 H new ATOM 0 HA LEU A 96 27.371 43.430 42.371 1.00 0.00 H new ATOM 0 HB2 LEU A 96 26.523 40.546 42.721 1.00 0.00 H new ATOM 0 HB3 LEU A 96 27.375 41.351 44.024 1.00 0.00 H new ATOM 0 HG LEU A 96 25.630 43.147 43.964 1.00 0.00 H new ATOM 0 HD11 LEU A 96 23.406 42.628 43.015 1.00 0.00 H new ATOM 0 HD12 LEU A 96 24.652 42.807 41.757 1.00 0.00 H new ATOM 0 HD13 LEU A 96 24.091 41.185 42.230 1.00 0.00 H new ATOM 0 HD21 LEU A 96 23.918 41.703 45.166 1.00 0.00 H new ATOM 0 HD22 LEU A 96 24.688 40.260 44.466 1.00 0.00 H new ATOM 0 HD23 LEU A 96 25.581 41.269 45.627 1.00 0.00 H new ATOM 1506 N ARG A 97 29.542 41.204 41.335 1.00 0.00 N ATOM 1507 CA ARG A 97 30.981 40.875 41.251 1.00 0.00 C ATOM 1508 C ARG A 97 31.852 42.091 40.899 1.00 0.00 C ATOM 1509 O ARG A 97 33.004 42.158 41.324 1.00 0.00 O ATOM 1510 CB ARG A 97 31.170 39.728 40.237 1.00 0.00 C ATOM 1511 CG ARG A 97 32.559 39.066 40.224 1.00 0.00 C ATOM 1512 CD ARG A 97 32.925 38.405 41.559 1.00 0.00 C ATOM 1513 NE ARG A 97 34.135 37.570 41.426 1.00 0.00 N ATOM 1514 CZ ARG A 97 34.678 36.795 42.348 1.00 0.00 C ATOM 1515 NH1 ARG A 97 34.197 36.715 43.558 1.00 0.00 N ATOM 1516 NH2 ARG A 97 35.726 36.074 42.070 1.00 0.00 N ATOM 0 H ARG A 97 28.977 40.698 40.653 1.00 0.00 H new ATOM 0 HA ARG A 97 31.318 40.554 42.237 1.00 0.00 H new ATOM 0 HB2 ARG A 97 30.425 38.960 40.443 1.00 0.00 H new ATOM 0 HB3 ARG A 97 30.963 40.113 39.239 1.00 0.00 H new ATOM 0 HG2 ARG A 97 32.590 38.316 39.434 1.00 0.00 H new ATOM 0 HG3 ARG A 97 33.310 39.817 39.980 1.00 0.00 H new ATOM 0 HD2 ARG A 97 33.091 39.173 42.315 1.00 0.00 H new ATOM 0 HD3 ARG A 97 32.093 37.792 41.905 1.00 0.00 H new ATOM 0 HE ARG A 97 34.605 37.594 40.521 1.00 0.00 H new ATOM 0 HH11 ARG A 97 33.376 37.262 43.818 1.00 0.00 H new ATOM 0 HH12 ARG A 97 34.642 36.106 44.245 1.00 0.00 H new ATOM 0 HH21 ARG A 97 36.133 36.105 41.135 1.00 0.00 H new ATOM 0 HH22 ARG A 97 36.140 35.478 42.787 1.00 0.00 H new ATOM 1530 N ARG A 98 31.293 43.077 40.186 1.00 0.00 N ATOM 1531 CA ARG A 98 31.919 44.370 39.835 1.00 0.00 C ATOM 1532 C ARG A 98 32.211 45.246 41.065 1.00 0.00 C ATOM 1533 O ARG A 98 33.165 46.021 41.051 1.00 0.00 O ATOM 1534 CB ARG A 98 30.999 45.068 38.811 1.00 0.00 C ATOM 1535 CG ARG A 98 31.632 46.166 37.935 1.00 0.00 C ATOM 1536 CD ARG A 98 31.668 47.560 38.580 1.00 0.00 C ATOM 1537 NE ARG A 98 31.846 48.620 37.566 1.00 0.00 N ATOM 1538 CZ ARG A 98 30.909 49.201 36.832 1.00 0.00 C ATOM 1539 NH1 ARG A 98 29.649 48.878 36.928 1.00 0.00 N ATOM 1540 NH2 ARG A 98 31.223 50.127 35.972 1.00 0.00 N ATOM 0 H ARG A 98 30.345 42.996 39.817 1.00 0.00 H new ATOM 0 HA ARG A 98 32.900 44.196 39.393 1.00 0.00 H new ATOM 0 HB2 ARG A 98 30.586 44.305 38.151 1.00 0.00 H new ATOM 0 HB3 ARG A 98 30.162 45.508 39.353 1.00 0.00 H new ATOM 0 HG2 ARG A 98 32.651 45.870 37.685 1.00 0.00 H new ATOM 0 HG3 ARG A 98 31.079 46.228 36.998 1.00 0.00 H new ATOM 0 HD2 ARG A 98 30.743 47.732 39.130 1.00 0.00 H new ATOM 0 HD3 ARG A 98 32.482 47.607 39.304 1.00 0.00 H new ATOM 0 HE ARG A 98 32.802 48.942 37.414 1.00 0.00 H new ATOM 0 HH11 ARG A 98 29.356 48.155 37.586 1.00 0.00 H new ATOM 0 HH12 ARG A 98 28.956 49.348 36.345 1.00 0.00 H new ATOM 0 HH21 ARG A 98 32.197 50.410 35.860 1.00 0.00 H new ATOM 0 HH22 ARG A 98 30.495 50.569 35.411 1.00 0.00 H new ATOM 1554 N LEU A 99 31.419 45.109 42.135 1.00 0.00 N ATOM 1555 CA LEU A 99 31.562 45.851 43.398 1.00 0.00 C ATOM 1556 C LEU A 99 32.841 45.438 44.161 1.00 0.00 C ATOM 1557 O LEU A 99 33.556 46.289 44.691 1.00 0.00 O ATOM 1558 CB LEU A 99 30.269 45.635 44.227 1.00 0.00 C ATOM 1559 CG LEU A 99 29.842 46.730 45.228 1.00 0.00 C ATOM 1560 CD1 LEU A 99 30.856 46.992 46.338 1.00 0.00 C ATOM 1561 CD2 LEU A 99 29.509 48.055 44.536 1.00 0.00 C ATOM 0 H LEU A 99 30.634 44.458 42.148 1.00 0.00 H new ATOM 0 HA LEU A 99 31.683 46.916 43.199 1.00 0.00 H new ATOM 0 HB2 LEU A 99 29.447 45.488 43.526 1.00 0.00 H new ATOM 0 HB3 LEU A 99 30.384 44.705 44.783 1.00 0.00 H new ATOM 0 HG LEU A 99 28.943 46.323 45.691 1.00 0.00 H new ATOM 0 HD11 LEU A 99 30.480 47.774 46.997 1.00 0.00 H new ATOM 0 HD12 LEU A 99 31.012 46.078 46.911 1.00 0.00 H new ATOM 0 HD13 LEU A 99 31.801 47.311 45.899 1.00 0.00 H new ATOM 0 HD21 LEU A 99 29.215 48.792 45.283 1.00 0.00 H new ATOM 0 HD22 LEU A 99 30.386 48.415 43.998 1.00 0.00 H new ATOM 0 HD23 LEU A 99 28.689 47.903 43.834 1.00 0.00 H new ATOM 1573 N GLN A 100 33.156 44.138 44.183 1.00 0.00 N ATOM 1574 CA GLN A 100 34.383 43.576 44.765 1.00 0.00 C ATOM 1575 C GLN A 100 35.641 44.056 44.009 1.00 0.00 C ATOM 1576 O GLN A 100 35.823 43.746 42.829 1.00 0.00 O ATOM 1577 CB GLN A 100 34.305 42.036 44.770 1.00 0.00 C ATOM 1578 CG GLN A 100 33.201 41.459 45.678 1.00 0.00 C ATOM 1579 CD GLN A 100 33.432 41.658 47.181 1.00 0.00 C ATOM 1580 OE1 GLN A 100 34.462 42.125 47.649 1.00 0.00 O ATOM 1581 NE2 GLN A 100 32.475 41.301 48.011 1.00 0.00 N ATOM 0 H GLN A 100 32.546 43.425 43.784 1.00 0.00 H new ATOM 0 HA GLN A 100 34.465 43.932 45.792 1.00 0.00 H new ATOM 0 HB2 GLN A 100 34.138 41.689 43.750 1.00 0.00 H new ATOM 0 HB3 GLN A 100 35.267 41.636 45.089 1.00 0.00 H new ATOM 0 HG2 GLN A 100 32.251 41.919 45.407 1.00 0.00 H new ATOM 0 HG3 GLN A 100 33.107 40.392 45.478 1.00 0.00 H new ATOM 0 HE21 GLN A 100 31.606 40.909 47.649 1.00 0.00 H new ATOM 0 HE22 GLN A 100 32.603 41.416 49.016 1.00 0.00 H new ATOM 1590 N GLU A 101 36.507 44.829 44.674 1.00 0.00 N ATOM 1591 CA GLU A 101 37.714 45.435 44.089 1.00 0.00 C ATOM 1592 C GLU A 101 38.893 45.451 45.085 1.00 0.00 C ATOM 1593 O GLU A 101 38.896 46.208 46.060 1.00 0.00 O ATOM 1594 CB GLU A 101 37.383 46.849 43.579 1.00 0.00 C ATOM 1595 CG GLU A 101 38.533 47.452 42.761 1.00 0.00 C ATOM 1596 CD GLU A 101 38.162 48.853 42.240 1.00 0.00 C ATOM 1597 OE1 GLU A 101 37.516 48.960 41.169 1.00 0.00 O ATOM 1598 OE2 GLU A 101 38.522 49.864 42.894 1.00 0.00 O ATOM 0 H GLU A 101 36.387 45.058 45.661 1.00 0.00 H new ATOM 0 HA GLU A 101 38.035 44.822 43.247 1.00 0.00 H new ATOM 0 HB2 GLU A 101 36.483 46.811 42.965 1.00 0.00 H new ATOM 0 HB3 GLU A 101 37.163 47.497 44.427 1.00 0.00 H new ATOM 0 HG2 GLU A 101 39.429 47.515 43.378 1.00 0.00 H new ATOM 0 HG3 GLU A 101 38.769 46.798 41.921 1.00 0.00 H new ATOM 1605 N GLU A 102 39.906 44.616 44.840 1.00 0.00 N ATOM 1606 CA GLU A 102 41.157 44.553 45.613 1.00 0.00 C ATOM 1607 C GLU A 102 42.263 45.385 44.932 1.00 0.00 C ATOM 1608 O GLU A 102 42.725 45.042 43.838 1.00 0.00 O ATOM 1609 CB GLU A 102 41.615 43.092 45.787 1.00 0.00 C ATOM 1610 CG GLU A 102 40.801 42.298 46.821 1.00 0.00 C ATOM 1611 CD GLU A 102 39.346 42.025 46.387 1.00 0.00 C ATOM 1612 OE1 GLU A 102 39.130 41.289 45.392 1.00 0.00 O ATOM 1613 OE2 GLU A 102 38.407 42.516 47.060 1.00 0.00 O ATOM 0 H GLU A 102 39.881 43.942 44.075 1.00 0.00 H new ATOM 0 HA GLU A 102 40.967 44.976 46.600 1.00 0.00 H new ATOM 0 HB2 GLU A 102 41.551 42.585 44.824 1.00 0.00 H new ATOM 0 HB3 GLU A 102 42.664 43.084 46.083 1.00 0.00 H new ATOM 0 HG2 GLU A 102 41.299 41.347 47.010 1.00 0.00 H new ATOM 0 HG3 GLU A 102 40.793 42.846 47.763 1.00 0.00 H new ATOM 1620 N LYS A 103 42.694 46.477 45.581 1.00 0.00 N ATOM 1621 CA LYS A 103 43.830 47.330 45.176 1.00 0.00 C ATOM 1622 C LYS A 103 44.752 47.679 46.360 1.00 0.00 C ATOM 1623 O LYS A 103 44.460 47.319 47.505 1.00 0.00 O ATOM 1624 CB LYS A 103 43.313 48.576 44.425 1.00 0.00 C ATOM 1625 CG LYS A 103 42.667 49.641 45.330 1.00 0.00 C ATOM 1626 CD LYS A 103 42.187 50.842 44.500 1.00 0.00 C ATOM 1627 CE LYS A 103 41.618 51.970 45.374 1.00 0.00 C ATOM 1628 NZ LYS A 103 42.681 52.708 46.111 1.00 0.00 N ATOM 0 H LYS A 103 42.246 46.806 46.436 1.00 0.00 H new ATOM 0 HA LYS A 103 44.457 46.765 44.486 1.00 0.00 H new ATOM 0 HB2 LYS A 103 44.144 49.031 43.885 1.00 0.00 H new ATOM 0 HB3 LYS A 103 42.584 48.259 43.679 1.00 0.00 H new ATOM 0 HG2 LYS A 103 41.825 49.205 45.869 1.00 0.00 H new ATOM 0 HG3 LYS A 103 43.386 49.974 46.078 1.00 0.00 H new ATOM 0 HD2 LYS A 103 43.019 51.228 43.910 1.00 0.00 H new ATOM 0 HD3 LYS A 103 41.423 50.511 43.796 1.00 0.00 H new ATOM 0 HE2 LYS A 103 41.063 52.668 44.746 1.00 0.00 H new ATOM 0 HE3 LYS A 103 40.909 51.551 46.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 42.248 53.458 46.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 43.195 52.050 46.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 43.344 53.132 45.431 1.00 0.00 H new ATOM 1642 N LEU A 104 45.845 48.400 46.080 1.00 0.00 N ATOM 1643 CA LEU A 104 46.837 48.904 47.046 1.00 0.00 C ATOM 1644 C LEU A 104 46.872 50.447 47.024 1.00 0.00 C ATOM 1645 O LEU A 104 47.353 51.031 46.025 1.00 0.00 O ATOM 1646 CB LEU A 104 48.194 48.208 46.761 1.00 0.00 C ATOM 1647 CG LEU A 104 49.161 48.118 47.956 1.00 0.00 C ATOM 1648 CD1 LEU A 104 50.418 47.365 47.521 1.00 0.00 C ATOM 1649 CD2 LEU A 104 49.589 49.477 48.506 1.00 0.00 C ATOM 1650 OXT LEU A 104 46.352 51.062 47.981 1.00 0.00 O ATOM 0 H LEU A 104 46.076 48.663 45.122 1.00 0.00 H new ATOM 0 HA LEU A 104 46.568 48.653 48.072 1.00 0.00 H new ATOM 0 HB2 LEU A 104 47.995 47.199 46.401 1.00 0.00 H new ATOM 0 HB3 LEU A 104 48.693 48.742 45.953 1.00 0.00 H new ATOM 0 HG LEU A 104 48.623 47.601 48.751 1.00 0.00 H new ATOM 0 HD11 LEU A 104 51.110 47.296 48.361 1.00 0.00 H new ATOM 0 HD12 LEU A 104 50.146 46.362 47.192 1.00 0.00 H new ATOM 0 HD13 LEU A 104 50.896 47.899 46.700 1.00 0.00 H new ATOM 0 HD21 LEU A 104 50.269 49.332 49.345 1.00 0.00 H new ATOM 0 HD22 LEU A 104 50.094 50.044 47.724 1.00 0.00 H new ATOM 0 HD23 LEU A 104 48.710 50.027 48.842 1.00 0.00 H new TER 1662 LEU A 104