USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 615 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 31 THR OG1 : rot -153:sc= 1.26 USER MOD Set 1.2: A 46 THR OG1 : rot -170:sc= 1.04 USER MOD Set 2.1: A 36 THR OG1 : rot 6:sc= 1.94 USER MOD Set 2.2: A 39 SER OG : rot 87:sc= 0.0341 USER MOD Set 3.1: A 23 LYS NZ :NH3+ 156:sc= 1.07 (180deg=1.12) USER MOD Set 3.2: A 26 GLN : amide:sc= -1.99! C(o=-0.92!,f=-6.1!) USER MOD Set 4.1: A -7 GLN : amide:sc= -0.219 K(o=-0.17,f=-0.95) USER MOD Set 4.2: A -9 HIS : no HE2:sc= 0.0469 K(o=-0.17,f=-1) USER MOD Single : A 1 MET CE :methyl -175:sc= -1.07 (180deg=-1.12) USER MOD Single : A 5 GLN : amide:sc= -0.782 X(o=-0.78,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 0.154 (180deg=0.152) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -140:sc= -1.32 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.023 F(o=-0.93,f=-0.023) USER MOD Single : A 22 GLN : amide:sc= 0.263 K(o=0.26,f=-0.4) USER MOD Single : A 29 GLN : amide:sc= -0.0504 K(o=-0.05,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= -0.0106 (180deg=-0.134) USER MOD Single : A 35 MET CE :methyl -124:sc= -0.151 (180deg=-0.782) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0206 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -12 SER OG : rot 180:sc= 0 USER MOD Single : A -14 MET CE :methyl -161:sc= -0.171 (180deg=-0.616) USER MOD Single : A -14 MET N :NH3+ 167:sc= 1.86 (180deg=1.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -14 40.236 23.295 29.591 1.00 0.00 N ATOM 2 CA MET A -14 39.393 23.676 28.447 1.00 0.00 C ATOM 3 C MET A -14 38.782 25.055 28.658 1.00 0.00 C ATOM 4 O MET A -14 38.942 25.940 27.825 1.00 0.00 O ATOM 5 CB MET A -14 38.277 22.646 28.229 1.00 0.00 C ATOM 6 CG MET A -14 38.757 21.246 27.861 1.00 0.00 C ATOM 7 SD MET A -14 39.638 20.417 29.203 1.00 0.00 S ATOM 8 CE MET A -14 39.909 18.799 28.473 1.00 0.00 C ATOM 0 H1 MET A -14 40.462 22.281 29.534 1.00 0.00 H new ATOM 0 H2 MET A -14 41.117 23.847 29.572 1.00 0.00 H new ATOM 0 H3 MET A -14 39.726 23.487 30.477 1.00 0.00 H new ATOM 0 HA MET A -14 40.028 23.704 27.562 1.00 0.00 H new ATOM 0 HB2 MET A -14 37.679 22.582 29.138 1.00 0.00 H new ATOM 0 HB3 MET A -14 37.618 23.008 27.439 1.00 0.00 H new ATOM 0 HG2 MET A -14 37.899 20.640 27.570 1.00 0.00 H new ATOM 0 HG3 MET A -14 39.411 21.311 26.992 1.00 0.00 H new ATOM 0 HE1 MET A -14 40.127 18.077 29.260 1.00 0.00 H new ATOM 0 HE2 MET A -14 39.014 18.489 27.933 1.00 0.00 H new ATOM 0 HE3 MET A -14 40.751 18.848 27.782 1.00 0.00 H new ATOM 20 N ALA A -13 38.086 25.224 29.783 1.00 0.00 N ATOM 21 CA ALA A -13 37.412 26.477 30.110 1.00 0.00 C ATOM 22 C ALA A -13 38.363 27.669 30.078 1.00 0.00 C ATOM 23 O ALA A -13 39.257 27.782 30.918 1.00 0.00 O ATOM 24 CB ALA A -13 36.746 26.369 31.471 1.00 0.00 C ATOM 0 H ALA A -13 37.975 24.497 30.490 1.00 0.00 H new ATOM 0 HA ALA A -13 36.654 26.650 29.347 1.00 0.00 H new ATOM 0 HB1 ALA A -13 36.246 27.308 31.707 1.00 0.00 H new ATOM 0 HB2 ALA A -13 36.014 25.562 31.455 1.00 0.00 H new ATOM 0 HB3 ALA A -13 37.500 26.159 32.230 1.00 0.00 H new ATOM 30 N SER A -12 38.157 28.545 29.087 1.00 0.00 N ATOM 31 CA SER A -12 38.955 29.763 28.899 1.00 0.00 C ATOM 32 C SER A -12 40.430 29.457 28.613 1.00 0.00 C ATOM 33 O SER A -12 40.861 29.477 27.458 1.00 0.00 O ATOM 34 CB SER A -12 38.813 30.701 30.098 1.00 0.00 C ATOM 35 OG SER A -12 37.472 31.143 30.247 1.00 0.00 O ATOM 0 H SER A -12 37.425 28.427 28.387 1.00 0.00 H new ATOM 0 HA SER A -12 38.560 30.268 28.018 1.00 0.00 H new ATOM 0 HB2 SER A -12 39.132 30.188 31.005 1.00 0.00 H new ATOM 0 HB3 SER A -12 39.470 31.561 29.970 1.00 0.00 H new ATOM 0 HG SER A -12 37.408 31.740 31.022 1.00 0.00 H new ATOM 41 N TRP A -11 41.194 29.181 29.657 1.00 0.00 N ATOM 42 CA TRP A -11 42.604 28.879 29.500 1.00 0.00 C ATOM 43 C TRP A -11 43.021 27.722 30.399 1.00 0.00 C ATOM 44 O TRP A -11 44.031 27.063 30.135 1.00 0.00 O ATOM 45 CB TRP A -11 43.476 30.124 29.796 1.00 0.00 C ATOM 46 CG TRP A -11 43.433 30.592 31.230 1.00 0.00 C ATOM 47 CD1 TRP A -11 42.708 31.630 31.737 1.00 0.00 C ATOM 48 CD2 TRP A -11 44.154 30.030 32.338 1.00 0.00 C ATOM 49 NE1 TRP A -11 42.933 31.747 33.088 1.00 0.00 N ATOM 50 CE2 TRP A -11 43.815 30.772 33.479 1.00 0.00 C ATOM 51 CE3 TRP A -11 45.049 28.965 32.468 1.00 0.00 C ATOM 52 CZ2 TRP A -11 44.343 30.484 34.736 1.00 0.00 C ATOM 53 CZ3 TRP A -11 45.568 28.675 33.702 1.00 0.00 C ATOM 54 CH2 TRP A -11 45.215 29.430 34.828 1.00 0.00 C ATOM 0 H TRP A -11 40.860 29.160 30.621 1.00 0.00 H new ATOM 0 HA TRP A -11 42.762 28.584 28.463 1.00 0.00 H new ATOM 0 HB2 TRP A -11 44.509 29.899 29.531 1.00 0.00 H new ATOM 0 HB3 TRP A -11 43.152 30.941 29.151 1.00 0.00 H new ATOM 0 HD1 TRP A -11 42.053 32.267 31.161 1.00 0.00 H new ATOM 0 HE1 TRP A -11 42.512 32.446 33.701 1.00 0.00 H new ATOM 0 HE3 TRP A -11 45.328 28.377 31.606 1.00 0.00 H new ATOM 0 HZ2 TRP A -11 44.076 31.068 35.604 1.00 0.00 H new ATOM 0 HZ3 TRP A -11 46.259 27.852 33.808 1.00 0.00 H new ATOM 0 HH2 TRP A -11 45.639 29.177 35.789 1.00 0.00 H new ATOM 65 N SER A -10 42.239 27.484 31.463 1.00 0.00 N ATOM 66 CA SER A -10 42.544 26.451 32.449 1.00 0.00 C ATOM 67 C SER A -10 42.833 25.122 31.774 1.00 0.00 C ATOM 68 O SER A -10 42.024 24.619 30.989 1.00 0.00 O ATOM 69 CB SER A -10 41.385 26.306 33.444 1.00 0.00 C ATOM 70 OG SER A -10 41.685 25.357 34.460 1.00 0.00 O ATOM 0 H SER A -10 41.383 28.003 31.658 1.00 0.00 H new ATOM 0 HA SER A -10 43.438 26.754 32.994 1.00 0.00 H new ATOM 0 HB2 SER A -10 41.172 27.273 33.900 1.00 0.00 H new ATOM 0 HB3 SER A -10 40.484 25.999 32.913 1.00 0.00 H new ATOM 0 HG SER A -10 40.928 25.289 35.078 1.00 0.00 H new ATOM 76 N HIS A -9 43.990 24.558 32.068 1.00 0.00 N ATOM 77 CA HIS A -9 44.377 23.308 31.467 1.00 0.00 C ATOM 78 C HIS A -9 44.268 22.175 32.480 1.00 0.00 C ATOM 79 O HIS A -9 44.621 22.346 33.649 1.00 0.00 O ATOM 80 CB HIS A -9 45.808 23.386 30.879 1.00 0.00 C ATOM 81 CG HIS A -9 46.924 23.280 31.889 1.00 0.00 C ATOM 82 ND1 HIS A -9 47.431 24.359 32.580 1.00 0.00 N ATOM 83 CD2 HIS A -9 47.629 22.204 32.314 1.00 0.00 C ATOM 84 CE1 HIS A -9 48.391 23.955 33.383 1.00 0.00 C ATOM 85 NE2 HIS A -9 48.534 22.652 33.242 1.00 0.00 N ATOM 0 H HIS A -9 44.672 24.949 32.718 1.00 0.00 H new ATOM 0 HA HIS A -9 43.693 23.103 30.643 1.00 0.00 H new ATOM 0 HB2 HIS A -9 45.926 22.588 30.146 1.00 0.00 H new ATOM 0 HB3 HIS A -9 45.913 24.330 30.343 1.00 0.00 H new ATOM 0 HD1 HIS A -9 47.111 25.323 32.484 1.00 0.00 H new ATOM 0 HD2 HIS A -9 47.502 21.184 31.984 1.00 0.00 H new ATOM 0 HE1 HIS A -9 48.965 24.585 34.046 1.00 0.00 H new ATOM 93 N PRO A -8 43.763 21.017 32.060 1.00 0.00 N ATOM 94 CA PRO A -8 43.666 19.857 32.930 1.00 0.00 C ATOM 95 C PRO A -8 45.027 19.223 33.141 1.00 0.00 C ATOM 96 O PRO A -8 45.875 19.270 32.258 1.00 0.00 O ATOM 97 CB PRO A -8 42.757 18.902 32.154 1.00 0.00 C ATOM 98 CG PRO A -8 42.963 19.268 30.724 1.00 0.00 C ATOM 99 CD PRO A -8 43.243 20.747 30.707 1.00 0.00 C ATOM 0 HA PRO A -8 43.287 20.107 33.921 1.00 0.00 H new ATOM 0 HB2 PRO A -8 43.024 17.862 32.340 1.00 0.00 H new ATOM 0 HB3 PRO A -8 41.714 19.021 32.448 1.00 0.00 H new ATOM 0 HG2 PRO A -8 43.795 18.709 30.295 1.00 0.00 H new ATOM 0 HG3 PRO A -8 42.080 19.032 30.130 1.00 0.00 H new ATOM 0 HD2 PRO A -8 43.970 21.009 29.938 1.00 0.00 H new ATOM 0 HD3 PRO A -8 42.341 21.323 30.502 1.00 0.00 H new ATOM 107 N GLN A -7 45.253 18.663 34.305 1.00 0.00 N ATOM 108 CA GLN A -7 46.500 17.982 34.552 1.00 0.00 C ATOM 109 C GLN A -7 46.449 16.603 33.943 1.00 0.00 C ATOM 110 O GLN A -7 45.526 15.825 34.204 1.00 0.00 O ATOM 111 CB GLN A -7 46.819 17.914 36.040 1.00 0.00 C ATOM 112 CG GLN A -7 47.076 19.275 36.665 1.00 0.00 C ATOM 113 CD GLN A -7 48.191 20.043 35.974 1.00 0.00 C ATOM 114 OE1 GLN A -7 49.135 19.460 35.443 1.00 0.00 O ATOM 115 NE2 GLN A -7 48.081 21.353 35.970 1.00 0.00 N ATOM 0 H GLN A -7 44.598 18.665 35.087 1.00 0.00 H new ATOM 0 HA GLN A -7 47.304 18.550 34.083 1.00 0.00 H new ATOM 0 HB2 GLN A -7 45.990 17.434 36.560 1.00 0.00 H new ATOM 0 HB3 GLN A -7 47.696 17.283 36.188 1.00 0.00 H new ATOM 0 HG2 GLN A -7 46.160 19.864 36.629 1.00 0.00 H new ATOM 0 HG3 GLN A -7 47.330 19.144 37.717 1.00 0.00 H new ATOM 0 HE21 GLN A -7 47.283 21.799 36.422 1.00 0.00 H new ATOM 0 HE22 GLN A -7 48.794 21.923 35.515 1.00 0.00 H new ATOM 124 N PHE A -6 47.417 16.310 33.128 1.00 0.00 N ATOM 125 CA PHE A -6 47.457 15.068 32.408 1.00 0.00 C ATOM 126 C PHE A -6 48.190 14.021 33.218 1.00 0.00 C ATOM 127 O PHE A -6 49.401 13.898 33.146 1.00 0.00 O ATOM 128 CB PHE A -6 48.117 15.292 31.048 1.00 0.00 C ATOM 129 CG PHE A -6 47.506 16.438 30.287 1.00 0.00 C ATOM 130 CD1 PHE A -6 47.992 17.729 30.446 1.00 0.00 C ATOM 131 CD2 PHE A -6 46.440 16.231 29.432 1.00 0.00 C ATOM 132 CE1 PHE A -6 47.421 18.787 29.766 1.00 0.00 C ATOM 133 CE2 PHE A -6 45.866 17.286 28.748 1.00 0.00 C ATOM 134 CZ PHE A -6 46.357 18.566 28.917 1.00 0.00 C ATOM 0 H PHE A -6 48.207 16.928 32.941 1.00 0.00 H new ATOM 0 HA PHE A -6 46.443 14.704 32.241 1.00 0.00 H new ATOM 0 HB2 PHE A -6 49.180 15.483 31.192 1.00 0.00 H new ATOM 0 HB3 PHE A -6 48.034 14.382 30.454 1.00 0.00 H new ATOM 0 HD1 PHE A -6 48.826 17.908 31.109 1.00 0.00 H new ATOM 0 HD2 PHE A -6 46.051 15.233 29.297 1.00 0.00 H new ATOM 0 HE1 PHE A -6 47.808 19.787 29.899 1.00 0.00 H new ATOM 0 HE2 PHE A -6 45.034 17.110 28.082 1.00 0.00 H new ATOM 0 HZ PHE A -6 45.908 19.392 28.385 1.00 0.00 H new ATOM 144 N GLU A -5 47.444 13.285 34.001 1.00 0.00 N ATOM 145 CA GLU A -5 48.015 12.297 34.894 1.00 0.00 C ATOM 146 C GLU A -5 48.168 10.947 34.219 1.00 0.00 C ATOM 147 O GLU A -5 49.231 10.332 34.272 1.00 0.00 O ATOM 148 CB GLU A -5 47.139 12.169 36.130 1.00 0.00 C ATOM 149 CG GLU A -5 47.011 13.460 36.910 1.00 0.00 C ATOM 150 CD GLU A -5 48.303 13.846 37.587 1.00 0.00 C ATOM 151 OE1 GLU A -5 48.516 13.425 38.742 1.00 0.00 O ATOM 152 OE2 GLU A -5 49.117 14.563 36.974 1.00 0.00 O ATOM 0 H GLU A -5 46.427 13.349 34.041 1.00 0.00 H new ATOM 0 HA GLU A -5 49.012 12.632 35.179 1.00 0.00 H new ATOM 0 HB2 GLU A -5 46.146 11.834 35.830 1.00 0.00 H new ATOM 0 HB3 GLU A -5 47.552 11.399 36.781 1.00 0.00 H new ATOM 0 HG2 GLU A -5 46.702 14.260 36.237 1.00 0.00 H new ATOM 0 HG3 GLU A -5 46.227 13.353 37.660 1.00 0.00 H new ATOM 159 N LYS A -4 47.110 10.487 33.585 1.00 0.00 N ATOM 160 CA LYS A -4 47.119 9.186 32.933 1.00 0.00 C ATOM 161 C LYS A -4 47.391 9.321 31.445 1.00 0.00 C ATOM 162 O LYS A -4 47.444 8.330 30.722 1.00 0.00 O ATOM 163 CB LYS A -4 45.789 8.469 33.158 1.00 0.00 C ATOM 164 CG LYS A -4 45.453 8.243 34.620 1.00 0.00 C ATOM 165 CD LYS A -4 44.160 7.467 34.770 1.00 0.00 C ATOM 166 CE LYS A -4 43.787 7.282 36.230 1.00 0.00 C ATOM 167 NZ LYS A -4 42.562 6.464 36.381 1.00 0.00 N ATOM 0 H LYS A -4 46.228 10.993 33.505 1.00 0.00 H new ATOM 0 HA LYS A -4 47.921 8.595 33.375 1.00 0.00 H new ATOM 0 HB2 LYS A -4 44.991 9.051 32.698 1.00 0.00 H new ATOM 0 HB3 LYS A -4 45.816 7.506 32.648 1.00 0.00 H new ATOM 0 HG2 LYS A -4 46.265 7.699 35.103 1.00 0.00 H new ATOM 0 HG3 LYS A -4 45.365 9.203 35.129 1.00 0.00 H new ATOM 0 HD2 LYS A -4 43.357 7.992 34.252 1.00 0.00 H new ATOM 0 HD3 LYS A -4 44.262 6.492 34.293 1.00 0.00 H new ATOM 0 HE2 LYS A -4 44.612 6.804 36.759 1.00 0.00 H new ATOM 0 HE3 LYS A -4 43.634 8.257 36.693 1.00 0.00 H new ATOM 0 HZ1 LYS A -4 42.337 6.358 37.391 1.00 0.00 H new ATOM 0 HZ2 LYS A -4 41.770 6.933 35.897 1.00 0.00 H new ATOM 0 HZ3 LYS A -4 42.717 5.525 35.961 1.00 0.00 H new ATOM 181 N ILE A -3 47.558 10.545 30.992 1.00 0.00 N ATOM 182 CA ILE A -3 47.809 10.805 29.587 1.00 0.00 C ATOM 183 C ILE A -3 49.283 11.161 29.377 1.00 0.00 C ATOM 184 O ILE A -3 49.987 10.511 28.598 1.00 0.00 O ATOM 185 CB ILE A -3 46.905 11.951 29.067 1.00 0.00 C ATOM 186 CG1 ILE A -3 45.466 11.741 29.561 1.00 0.00 C ATOM 187 CG2 ILE A -3 46.933 12.004 27.541 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.508 12.846 29.167 1.00 0.00 C ATOM 0 H ILE A -3 47.525 11.380 31.577 1.00 0.00 H new ATOM 0 HA ILE A -3 47.574 9.902 29.023 1.00 0.00 H new ATOM 0 HB ILE A -3 47.282 12.898 29.452 1.00 0.00 H new ATOM 0 HG12 ILE A -3 45.093 10.795 29.168 1.00 0.00 H new ATOM 0 HG13 ILE A -3 45.476 11.654 30.647 1.00 0.00 H new ATOM 0 HG21 ILE A -3 46.293 12.815 27.193 1.00 0.00 H new ATOM 0 HG22 ILE A -3 47.954 12.177 27.202 1.00 0.00 H new ATOM 0 HG23 ILE A -3 46.572 11.058 27.137 1.00 0.00 H new ATOM 0 HD11 ILE A -3 43.514 12.621 29.554 1.00 0.00 H new ATOM 0 HD12 ILE A -3 44.854 13.793 29.582 1.00 0.00 H new ATOM 0 HD13 ILE A -3 44.466 12.920 28.080 1.00 0.00 H new ATOM 200 N GLU A -2 49.743 12.178 30.101 1.00 0.00 N ATOM 201 CA GLU A -2 51.138 12.613 30.054 1.00 0.00 C ATOM 202 C GLU A -2 52.045 11.497 30.557 1.00 0.00 C ATOM 203 O GLU A -2 51.948 11.079 31.717 1.00 0.00 O ATOM 204 CB GLU A -2 51.309 13.862 30.923 1.00 0.00 C ATOM 205 CG GLU A -2 52.737 14.358 31.093 1.00 0.00 C ATOM 206 CD GLU A -2 53.239 15.149 29.910 1.00 0.00 C ATOM 207 OE1 GLU A -2 52.586 16.155 29.536 1.00 0.00 O ATOM 208 OE2 GLU A -2 54.306 14.803 29.372 1.00 0.00 O ATOM 0 H GLU A -2 49.161 12.724 30.736 1.00 0.00 H new ATOM 0 HA GLU A -2 51.411 12.850 29.026 1.00 0.00 H new ATOM 0 HB2 GLU A -2 50.714 14.667 30.491 1.00 0.00 H new ATOM 0 HB3 GLU A -2 50.896 13.654 31.910 1.00 0.00 H new ATOM 0 HG2 GLU A -2 52.795 14.979 31.987 1.00 0.00 H new ATOM 0 HG3 GLU A -2 53.394 13.504 31.255 1.00 0.00 H new ATOM 215 N GLY A -1 52.898 11.004 29.687 1.00 0.00 N ATOM 216 CA GLY A -1 53.796 9.934 30.055 1.00 0.00 C ATOM 217 C GLY A -1 53.422 8.634 29.383 1.00 0.00 C ATOM 218 O GLY A -1 54.216 7.695 29.339 1.00 0.00 O ATOM 0 H GLY A -1 52.988 11.326 28.723 1.00 0.00 H new ATOM 0 HA2 GLY A -1 54.816 10.205 29.781 1.00 0.00 H new ATOM 0 HA3 GLY A -1 53.781 9.802 31.137 1.00 0.00 H new ATOM 222 N ARG A 0 52.207 8.578 28.865 1.00 0.00 N ATOM 223 CA ARG A 0 51.723 7.392 28.167 1.00 0.00 C ATOM 224 C ARG A 0 51.564 7.709 26.711 1.00 0.00 C ATOM 225 O ARG A 0 52.131 7.043 25.840 1.00 0.00 O ATOM 226 CB ARG A 0 50.370 6.953 28.713 1.00 0.00 C ATOM 227 CG ARG A 0 50.290 6.905 30.213 1.00 0.00 C ATOM 228 CD ARG A 0 51.282 5.912 30.795 1.00 0.00 C ATOM 229 NE ARG A 0 51.064 5.695 32.220 1.00 0.00 N ATOM 230 CZ ARG A 0 51.728 4.807 32.953 1.00 0.00 C ATOM 231 NH1 ARG A 0 52.712 4.095 32.414 1.00 0.00 N ATOM 232 NH2 ARG A 0 51.416 4.635 34.227 1.00 0.00 N ATOM 0 H ARG A 0 51.533 9.342 28.913 1.00 0.00 H new ATOM 0 HA ARG A 0 52.445 6.589 28.314 1.00 0.00 H new ATOM 0 HB2 ARG A 0 49.604 7.634 28.342 1.00 0.00 H new ATOM 0 HB3 ARG A 0 50.136 5.965 28.317 1.00 0.00 H new ATOM 0 HG2 ARG A 0 50.486 7.897 30.620 1.00 0.00 H new ATOM 0 HG3 ARG A 0 49.279 6.630 30.515 1.00 0.00 H new ATOM 0 HD2 ARG A 0 51.197 4.963 30.266 1.00 0.00 H new ATOM 0 HD3 ARG A 0 52.297 6.277 30.635 1.00 0.00 H new ATOM 0 HE ARG A 0 50.355 6.262 32.685 1.00 0.00 H new ATOM 0 HH11 ARG A 0 52.961 4.229 31.434 1.00 0.00 H new ATOM 0 HH12 ARG A 0 53.219 3.415 32.980 1.00 0.00 H new ATOM 0 HH21 ARG A 0 50.666 5.184 34.647 1.00 0.00 H new ATOM 0 HH22 ARG A 0 51.926 3.954 34.789 1.00 0.00 H new ATOM 246 N MET A 1 50.775 8.725 26.453 1.00 0.00 N ATOM 247 CA MET A 1 50.508 9.169 25.123 1.00 0.00 C ATOM 248 C MET A 1 50.641 10.683 25.050 1.00 0.00 C ATOM 249 O MET A 1 49.882 11.419 25.688 1.00 0.00 O ATOM 250 CB MET A 1 49.118 8.696 24.673 1.00 0.00 C ATOM 251 CG MET A 1 47.997 9.043 25.644 1.00 0.00 C ATOM 252 SD MET A 1 46.448 8.199 25.264 1.00 0.00 S ATOM 253 CE MET A 1 46.241 8.623 23.538 1.00 0.00 C ATOM 0 H MET A 1 50.300 9.267 27.175 1.00 0.00 H new ATOM 0 HA MET A 1 51.237 8.734 24.440 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.893 9.138 23.702 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.142 7.615 24.534 1.00 0.00 H new ATOM 0 HG2 MET A 1 48.307 8.783 26.656 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.831 10.120 25.628 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.281 8.247 23.184 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.272 9.707 23.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.044 8.174 22.954 1.00 0.00 H new ATOM 263 N ASP A 2 51.611 11.144 24.299 1.00 0.00 N ATOM 264 CA ASP A 2 51.877 12.568 24.196 1.00 0.00 C ATOM 265 C ASP A 2 52.118 12.966 22.760 1.00 0.00 C ATOM 266 O ASP A 2 52.237 12.107 21.884 1.00 0.00 O ATOM 267 CB ASP A 2 53.095 12.951 25.050 1.00 0.00 C ATOM 268 CG ASP A 2 52.860 12.763 26.534 1.00 0.00 C ATOM 269 OD1 ASP A 2 52.177 13.610 27.136 1.00 0.00 O ATOM 270 OD2 ASP A 2 53.368 11.773 27.105 1.00 0.00 O ATOM 0 H ASP A 2 52.234 10.556 23.746 1.00 0.00 H new ATOM 0 HA ASP A 2 51.001 13.100 24.566 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.950 12.348 24.744 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.354 13.992 24.858 1.00 0.00 H new ATOM 275 N VAL A 3 52.185 14.266 22.517 1.00 0.00 N ATOM 276 CA VAL A 3 52.459 14.781 21.189 1.00 0.00 C ATOM 277 C VAL A 3 53.812 14.257 20.695 1.00 0.00 C ATOM 278 O VAL A 3 54.795 14.238 21.442 1.00 0.00 O ATOM 279 CB VAL A 3 52.431 16.339 21.159 1.00 0.00 C ATOM 280 CG1 VAL A 3 53.448 16.931 22.123 1.00 0.00 C ATOM 281 CG2 VAL A 3 52.656 16.864 19.747 1.00 0.00 C ATOM 0 H VAL A 3 52.052 14.985 23.228 1.00 0.00 H new ATOM 0 HA VAL A 3 51.673 14.429 20.521 1.00 0.00 H new ATOM 0 HB VAL A 3 51.440 16.655 21.485 1.00 0.00 H new ATOM 0 HG11 VAL A 3 53.402 18.019 22.077 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.223 16.601 23.137 1.00 0.00 H new ATOM 0 HG13 VAL A 3 54.448 16.598 21.846 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.631 17.954 19.756 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.626 16.526 19.383 1.00 0.00 H new ATOM 0 HG23 VAL A 3 51.871 16.489 19.090 1.00 0.00 H new ATOM 291 N GLY A 4 53.845 13.795 19.465 1.00 0.00 N ATOM 292 CA GLY A 4 55.057 13.223 18.925 1.00 0.00 C ATOM 293 C GLY A 4 54.973 11.716 18.872 1.00 0.00 C ATOM 294 O GLY A 4 55.522 11.085 17.967 1.00 0.00 O ATOM 0 H GLY A 4 53.052 13.804 18.824 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.233 13.616 17.923 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.908 13.521 19.538 1.00 0.00 H new ATOM 298 N GLN A 5 54.270 11.138 19.843 1.00 0.00 N ATOM 299 CA GLN A 5 54.064 9.699 19.902 1.00 0.00 C ATOM 300 C GLN A 5 53.172 9.248 18.768 1.00 0.00 C ATOM 301 O GLN A 5 52.340 10.008 18.287 1.00 0.00 O ATOM 302 CB GLN A 5 53.438 9.299 21.242 1.00 0.00 C ATOM 303 CG GLN A 5 54.431 9.191 22.381 1.00 0.00 C ATOM 304 CD GLN A 5 55.388 8.039 22.182 1.00 0.00 C ATOM 305 OE1 GLN A 5 55.129 6.922 22.612 1.00 0.00 O ATOM 306 NE2 GLN A 5 56.489 8.295 21.519 1.00 0.00 N ATOM 0 H GLN A 5 53.831 11.653 20.606 1.00 0.00 H new ATOM 0 HA GLN A 5 55.035 9.212 19.807 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.675 10.031 21.507 1.00 0.00 H new ATOM 0 HB3 GLN A 5 52.932 8.341 21.123 1.00 0.00 H new ATOM 0 HG2 GLN A 5 54.993 10.121 22.463 1.00 0.00 H new ATOM 0 HG3 GLN A 5 53.894 9.060 23.320 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.670 9.238 21.176 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.165 7.551 21.346 1.00 0.00 H new ATOM 315 N LYS A 6 53.349 8.026 18.333 1.00 0.00 N ATOM 316 CA LYS A 6 52.540 7.497 17.266 1.00 0.00 C ATOM 317 C LYS A 6 51.521 6.533 17.823 1.00 0.00 C ATOM 318 O LYS A 6 51.758 5.888 18.844 1.00 0.00 O ATOM 319 CB LYS A 6 53.404 6.802 16.217 1.00 0.00 C ATOM 320 CG LYS A 6 54.557 7.652 15.710 1.00 0.00 C ATOM 321 CD LYS A 6 55.261 6.999 14.533 1.00 0.00 C ATOM 322 CE LYS A 6 55.724 5.600 14.883 1.00 0.00 C ATOM 323 NZ LYS A 6 56.626 5.033 13.854 1.00 0.00 N ATOM 0 H LYS A 6 54.046 7.379 18.702 1.00 0.00 H new ATOM 0 HA LYS A 6 52.023 8.326 16.783 1.00 0.00 H new ATOM 0 HB2 LYS A 6 53.803 5.881 16.641 1.00 0.00 H new ATOM 0 HB3 LYS A 6 52.776 6.518 15.373 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.183 8.632 15.413 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.272 7.815 16.517 1.00 0.00 H new ATOM 0 HD2 LYS A 6 54.586 6.959 13.678 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.117 7.605 14.235 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.239 5.620 15.843 1.00 0.00 H new ATOM 0 HE3 LYS A 6 54.856 4.951 15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 56.889 4.063 14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 56.139 5.020 12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.483 5.618 13.784 1.00 0.00 H new ATOM 337 N VAL A 7 50.391 6.446 17.170 1.00 0.00 N ATOM 338 CA VAL A 7 49.333 5.555 17.588 1.00 0.00 C ATOM 339 C VAL A 7 48.743 4.831 16.397 1.00 0.00 C ATOM 340 O VAL A 7 48.798 5.321 15.264 1.00 0.00 O ATOM 341 CB VAL A 7 48.200 6.294 18.348 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.673 6.758 19.716 1.00 0.00 C ATOM 343 CG2 VAL A 7 47.685 7.469 17.537 1.00 0.00 C ATOM 0 H VAL A 7 50.176 6.989 16.334 1.00 0.00 H new ATOM 0 HA VAL A 7 49.786 4.838 18.272 1.00 0.00 H new ATOM 0 HB VAL A 7 47.381 5.590 18.493 1.00 0.00 H new ATOM 0 HG11 VAL A 7 47.859 7.273 20.227 1.00 0.00 H new ATOM 0 HG12 VAL A 7 48.984 5.895 20.305 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.516 7.439 19.598 1.00 0.00 H new ATOM 0 HG21 VAL A 7 46.891 7.972 18.089 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.500 8.169 17.353 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.294 7.110 16.585 1.00 0.00 H new ATOM 353 N ARG A 8 48.201 3.667 16.649 1.00 0.00 N ATOM 354 CA ARG A 8 47.578 2.870 15.620 1.00 0.00 C ATOM 355 C ARG A 8 46.143 2.570 16.007 1.00 0.00 C ATOM 356 O ARG A 8 45.875 2.132 17.132 1.00 0.00 O ATOM 357 CB ARG A 8 48.353 1.566 15.413 1.00 0.00 C ATOM 358 CG ARG A 8 47.847 0.719 14.255 1.00 0.00 C ATOM 359 CD ARG A 8 48.653 -0.560 14.119 1.00 0.00 C ATOM 360 NE ARG A 8 48.267 -1.338 12.946 1.00 0.00 N ATOM 361 CZ ARG A 8 48.428 -2.657 12.831 1.00 0.00 C ATOM 362 NH1 ARG A 8 48.925 -3.361 13.845 1.00 0.00 N ATOM 363 NH2 ARG A 8 48.091 -3.270 11.699 1.00 0.00 N ATOM 0 H ARG A 8 48.179 3.243 17.576 1.00 0.00 H new ATOM 0 HA ARG A 8 47.588 3.429 14.684 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.403 1.803 15.244 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.303 0.977 16.329 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.796 0.475 14.411 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.908 1.291 13.329 1.00 0.00 H new ATOM 0 HD2 ARG A 8 49.713 -0.313 14.056 1.00 0.00 H new ATOM 0 HD3 ARG A 8 48.520 -1.167 15.014 1.00 0.00 H new ATOM 0 HE ARG A 8 47.846 -0.840 12.162 1.00 0.00 H new ATOM 0 HH11 ARG A 8 49.184 -2.892 14.713 1.00 0.00 H new ATOM 0 HH12 ARG A 8 49.047 -4.370 13.754 1.00 0.00 H new ATOM 0 HH21 ARG A 8 47.710 -2.731 10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 8 48.213 -4.279 11.609 1.00 0.00 H new ATOM 377 N VAL A 9 45.223 2.820 15.096 1.00 0.00 N ATOM 378 CA VAL A 9 43.818 2.563 15.357 1.00 0.00 C ATOM 379 C VAL A 9 43.536 1.082 15.170 1.00 0.00 C ATOM 380 O VAL A 9 43.413 0.613 14.055 1.00 0.00 O ATOM 381 CB VAL A 9 42.903 3.370 14.404 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.464 3.347 14.888 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.398 4.802 14.247 1.00 0.00 C ATOM 0 H VAL A 9 45.421 3.200 14.170 1.00 0.00 H new ATOM 0 HA VAL A 9 43.605 2.871 16.381 1.00 0.00 H new ATOM 0 HB VAL A 9 42.940 2.894 13.424 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.840 3.921 14.202 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.109 2.317 14.926 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.408 3.787 15.884 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.736 5.344 13.572 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.406 5.293 15.220 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.408 4.795 13.836 1.00 0.00 H new ATOM 393 N CYS A 10 43.451 0.351 16.258 1.00 0.00 N ATOM 394 CA CYS A 10 43.229 -1.086 16.176 1.00 0.00 C ATOM 395 C CYS A 10 41.754 -1.432 16.239 1.00 0.00 C ATOM 396 O CYS A 10 41.342 -2.509 15.806 1.00 0.00 O ATOM 397 CB CYS A 10 43.996 -1.805 17.275 1.00 0.00 C ATOM 398 SG CYS A 10 45.786 -1.658 17.118 1.00 0.00 S ATOM 0 H CYS A 10 43.531 0.718 17.206 1.00 0.00 H new ATOM 0 HA CYS A 10 43.602 -1.423 15.209 1.00 0.00 H new ATOM 0 HB2 CYS A 10 43.690 -1.405 18.242 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.724 -2.860 17.266 1.00 0.00 H new ATOM 0 HG CYS A 10 46.343 -2.793 17.419 1.00 0.00 H new ATOM 404 N ARG A 11 40.964 -0.527 16.768 1.00 0.00 N ATOM 405 CA ARG A 11 39.539 -0.734 16.873 1.00 0.00 C ATOM 406 C ARG A 11 38.824 0.590 16.844 1.00 0.00 C ATOM 407 O ARG A 11 39.448 1.629 16.979 1.00 0.00 O ATOM 408 CB ARG A 11 39.184 -1.486 18.161 1.00 0.00 C ATOM 409 CG ARG A 11 39.625 -0.785 19.435 1.00 0.00 C ATOM 410 CD ARG A 11 39.137 -1.533 20.660 1.00 0.00 C ATOM 411 NE ARG A 11 39.614 -0.933 21.899 1.00 0.00 N ATOM 412 CZ ARG A 11 39.532 -1.517 23.092 1.00 0.00 C ATOM 413 NH1 ARG A 11 38.953 -2.705 23.220 1.00 0.00 N ATOM 414 NH2 ARG A 11 40.023 -0.913 24.157 1.00 0.00 N ATOM 0 H ARG A 11 41.288 0.368 17.135 1.00 0.00 H new ATOM 0 HA ARG A 11 39.221 -1.339 16.024 1.00 0.00 H new ATOM 0 HB2 ARG A 11 38.105 -1.634 18.196 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.640 -2.475 18.128 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.712 -0.712 19.457 1.00 0.00 H new ATOM 0 HG3 ARG A 11 39.237 0.234 19.447 1.00 0.00 H new ATOM 0 HD2 ARG A 11 38.047 -1.550 20.663 1.00 0.00 H new ATOM 0 HD3 ARG A 11 39.472 -2.569 20.608 1.00 0.00 H new ATOM 0 HE ARG A 11 40.038 -0.007 21.849 1.00 0.00 H new ATOM 0 HH11 ARG A 11 38.568 -3.175 22.401 1.00 0.00 H new ATOM 0 HH12 ARG A 11 38.893 -3.147 24.137 1.00 0.00 H new ATOM 0 HH21 ARG A 11 40.465 0.002 24.066 1.00 0.00 H new ATOM 0 HH22 ARG A 11 39.960 -1.360 25.071 1.00 0.00 H new ATOM 428 N ILE A 12 37.532 0.544 16.659 1.00 0.00 N ATOM 429 CA ILE A 12 36.726 1.740 16.656 1.00 0.00 C ATOM 430 C ILE A 12 35.811 1.729 17.867 1.00 0.00 C ATOM 431 O ILE A 12 35.144 0.725 18.148 1.00 0.00 O ATOM 432 CB ILE A 12 35.899 1.862 15.356 1.00 0.00 C ATOM 433 CG1 ILE A 12 36.828 1.971 14.142 1.00 0.00 C ATOM 434 CG2 ILE A 12 34.963 3.057 15.422 1.00 0.00 C ATOM 435 CD1 ILE A 12 37.707 3.208 14.146 1.00 0.00 C ATOM 0 H ILE A 12 37.008 -0.318 16.507 1.00 0.00 H new ATOM 0 HA ILE A 12 37.387 2.605 16.703 1.00 0.00 H new ATOM 0 HB ILE A 12 35.292 0.963 15.249 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.464 1.086 14.103 1.00 0.00 H new ATOM 0 HG13 ILE A 12 36.224 1.970 13.234 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.391 3.123 14.496 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.280 2.938 16.263 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.546 3.969 15.554 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.334 3.211 13.255 1.00 0.00 H new ATOM 0 HD12 ILE A 12 37.080 4.100 14.152 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.339 3.203 15.034 1.00 0.00 H new ATOM 447 N ARG A 13 35.788 2.826 18.582 1.00 0.00 N ATOM 448 CA ARG A 13 35.025 2.921 19.800 1.00 0.00 C ATOM 449 C ARG A 13 33.568 3.256 19.515 1.00 0.00 C ATOM 450 O ARG A 13 32.665 2.617 20.050 1.00 0.00 O ATOM 451 CB ARG A 13 35.640 3.974 20.718 1.00 0.00 C ATOM 452 CG ARG A 13 35.245 3.839 22.175 1.00 0.00 C ATOM 453 CD ARG A 13 35.955 4.874 23.027 1.00 0.00 C ATOM 454 NE ARG A 13 35.884 4.566 24.460 1.00 0.00 N ATOM 455 CZ ARG A 13 35.904 5.488 25.431 1.00 0.00 C ATOM 456 NH1 ARG A 13 35.855 6.783 25.130 1.00 0.00 N ATOM 457 NH2 ARG A 13 35.942 5.114 26.703 1.00 0.00 N ATOM 0 H ARG A 13 36.296 3.676 18.337 1.00 0.00 H new ATOM 0 HA ARG A 13 35.053 1.951 20.296 1.00 0.00 H new ATOM 0 HB2 ARG A 13 36.726 3.916 20.641 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.347 4.963 20.365 1.00 0.00 H new ATOM 0 HG2 ARG A 13 34.166 3.957 22.276 1.00 0.00 H new ATOM 0 HG3 ARG A 13 35.491 2.839 22.531 1.00 0.00 H new ATOM 0 HD2 ARG A 13 37.000 4.935 22.723 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.513 5.854 22.847 1.00 0.00 H new ATOM 0 HE ARG A 13 35.815 3.586 24.734 1.00 0.00 H new ATOM 0 HH11 ARG A 13 35.802 7.078 24.155 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.871 7.480 25.874 1.00 0.00 H new ATOM 0 HH21 ARG A 13 35.956 4.123 26.943 1.00 0.00 H new ATOM 0 HH22 ARG A 13 35.957 5.818 27.441 1.00 0.00 H new ATOM 471 N ASP A 14 33.336 4.240 18.661 1.00 0.00 N ATOM 472 CA ASP A 14 31.970 4.662 18.368 1.00 0.00 C ATOM 473 C ASP A 14 31.460 4.068 17.058 1.00 0.00 C ATOM 474 O ASP A 14 30.762 3.053 17.058 1.00 0.00 O ATOM 475 CB ASP A 14 31.854 6.193 18.331 1.00 0.00 C ATOM 476 CG ASP A 14 30.406 6.668 18.342 1.00 0.00 C ATOM 477 OD1 ASP A 14 29.705 6.504 17.323 1.00 0.00 O ATOM 478 OD2 ASP A 14 29.964 7.205 19.381 1.00 0.00 O ATOM 0 H ASP A 14 34.061 4.757 18.164 1.00 0.00 H new ATOM 0 HA ASP A 14 31.345 4.284 19.177 1.00 0.00 H new ATOM 0 HB2 ASP A 14 32.378 6.615 19.189 1.00 0.00 H new ATOM 0 HB3 ASP A 14 32.350 6.570 17.437 1.00 0.00 H new ATOM 483 N ARG A 15 31.836 4.683 15.947 1.00 0.00 N ATOM 484 CA ARG A 15 31.357 4.265 14.637 1.00 0.00 C ATOM 485 C ARG A 15 32.457 4.420 13.602 1.00 0.00 C ATOM 486 O ARG A 15 33.342 5.259 13.756 1.00 0.00 O ATOM 487 CB ARG A 15 30.158 5.126 14.235 1.00 0.00 C ATOM 488 CG ARG A 15 30.528 6.579 13.970 1.00 0.00 C ATOM 489 CD ARG A 15 29.306 7.456 13.843 1.00 0.00 C ATOM 490 NE ARG A 15 28.596 7.583 15.109 1.00 0.00 N ATOM 491 CZ ARG A 15 27.605 8.438 15.324 1.00 0.00 C ATOM 492 NH1 ARG A 15 27.235 9.282 14.365 1.00 0.00 N ATOM 493 NH2 ARG A 15 26.996 8.459 16.502 1.00 0.00 N ATOM 0 H ARG A 15 32.475 5.478 15.926 1.00 0.00 H new ATOM 0 HA ARG A 15 31.060 3.217 14.686 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.700 4.705 13.340 1.00 0.00 H new ATOM 0 HB3 ARG A 15 29.409 5.087 15.026 1.00 0.00 H new ATOM 0 HG2 ARG A 15 31.157 6.947 14.781 1.00 0.00 H new ATOM 0 HG3 ARG A 15 31.117 6.643 13.055 1.00 0.00 H new ATOM 0 HD2 ARG A 15 29.603 8.444 13.492 1.00 0.00 H new ATOM 0 HD3 ARG A 15 28.636 7.039 13.091 1.00 0.00 H new ATOM 0 HE ARG A 15 28.879 6.976 15.878 1.00 0.00 H new ATOM 0 HH11 ARG A 15 27.713 9.272 13.464 1.00 0.00 H new ATOM 0 HH12 ARG A 15 26.473 9.939 14.530 1.00 0.00 H new ATOM 0 HH21 ARG A 15 27.290 7.819 17.240 1.00 0.00 H new ATOM 0 HH22 ARG A 15 26.234 9.115 16.670 1.00 0.00 H new ATOM 507 N VAL A 16 32.406 3.626 12.553 1.00 0.00 N ATOM 508 CA VAL A 16 33.402 3.721 11.513 1.00 0.00 C ATOM 509 C VAL A 16 32.808 4.335 10.236 1.00 0.00 C ATOM 510 O VAL A 16 31.933 3.758 9.591 1.00 0.00 O ATOM 511 CB VAL A 16 34.049 2.334 11.214 1.00 0.00 C ATOM 512 CG1 VAL A 16 32.999 1.285 10.864 1.00 0.00 C ATOM 513 CG2 VAL A 16 35.089 2.447 10.111 1.00 0.00 C ATOM 0 H VAL A 16 31.691 2.914 12.401 1.00 0.00 H new ATOM 0 HA VAL A 16 34.190 4.383 11.873 1.00 0.00 H new ATOM 0 HB VAL A 16 34.549 2.005 12.125 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.489 0.333 10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 16 32.309 1.168 11.700 1.00 0.00 H new ATOM 0 HG13 VAL A 16 32.447 1.603 9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 16 35.526 1.467 9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 16 34.616 2.816 9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.872 3.140 10.419 1.00 0.00 H new ATOM 523 N ALA A 17 33.272 5.528 9.909 1.00 0.00 N ATOM 524 CA ALA A 17 32.849 6.222 8.705 1.00 0.00 C ATOM 525 C ALA A 17 33.726 5.842 7.518 1.00 0.00 C ATOM 526 O ALA A 17 34.772 5.211 7.693 1.00 0.00 O ATOM 527 CB ALA A 17 32.842 7.725 8.920 1.00 0.00 C ATOM 0 H ALA A 17 33.951 6.043 10.469 1.00 0.00 H new ATOM 0 HA ALA A 17 31.829 5.911 8.478 1.00 0.00 H new ATOM 0 HB1 ALA A 17 32.522 8.222 8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.154 7.974 9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 17 33.846 8.060 9.183 1.00 0.00 H new ATOM 533 N GLN A 18 33.313 6.247 6.324 1.00 0.00 N ATOM 534 CA GLN A 18 34.064 5.959 5.096 1.00 0.00 C ATOM 535 C GLN A 18 35.493 6.524 5.163 1.00 0.00 C ATOM 536 O GLN A 18 36.420 5.977 4.569 1.00 0.00 O ATOM 537 CB GLN A 18 33.322 6.530 3.879 1.00 0.00 C ATOM 538 CG GLN A 18 34.026 6.300 2.545 1.00 0.00 C ATOM 539 CD GLN A 18 34.260 4.829 2.243 1.00 0.00 C ATOM 540 OE1 GLN A 18 33.369 3.975 2.707 1.00 0.00 O flip ATOM 541 NE2 GLN A 18 35.233 4.468 1.580 1.00 0.00 N flip ATOM 0 H GLN A 18 32.457 6.780 6.173 1.00 0.00 H new ATOM 0 HA GLN A 18 34.140 4.876 4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 18 32.328 6.084 3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 18 33.184 7.602 4.023 1.00 0.00 H new ATOM 0 HG2 GLN A 18 33.430 6.739 1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 18 34.984 6.821 2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 18 35.901 5.158 1.238 1.00 0.00 H new ATOM 0 HE22 GLN A 18 35.370 3.479 1.373 1.00 0.00 H new ATOM 550 N ASP A 19 35.663 7.617 5.883 1.00 0.00 N ATOM 551 CA ASP A 19 36.982 8.225 6.039 1.00 0.00 C ATOM 552 C ASP A 19 37.737 7.603 7.204 1.00 0.00 C ATOM 553 O ASP A 19 38.958 7.682 7.277 1.00 0.00 O ATOM 554 CB ASP A 19 36.869 9.737 6.237 1.00 0.00 C ATOM 555 CG ASP A 19 36.481 10.464 4.969 1.00 0.00 C ATOM 556 OD1 ASP A 19 35.272 10.538 4.660 1.00 0.00 O ATOM 557 OD2 ASP A 19 37.387 10.970 4.265 1.00 0.00 O ATOM 0 H ASP A 19 34.911 8.105 6.370 1.00 0.00 H new ATOM 0 HA ASP A 19 37.541 8.035 5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 19 36.129 9.944 7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.822 10.125 6.596 1.00 0.00 H new ATOM 562 N ILE A 20 37.005 6.967 8.102 1.00 0.00 N ATOM 563 CA ILE A 20 37.600 6.364 9.288 1.00 0.00 C ATOM 564 C ILE A 20 38.104 4.963 8.989 1.00 0.00 C ATOM 565 O ILE A 20 39.136 4.541 9.510 1.00 0.00 O ATOM 566 CB ILE A 20 36.590 6.304 10.458 1.00 0.00 C ATOM 567 CG1 ILE A 20 36.037 7.695 10.737 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.241 5.727 11.703 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.075 7.766 11.908 1.00 0.00 C ATOM 0 H ILE A 20 35.994 6.853 8.034 1.00 0.00 H new ATOM 0 HA ILE A 20 38.440 6.994 9.581 1.00 0.00 H new ATOM 0 HB ILE A 20 35.767 5.648 10.175 1.00 0.00 H new ATOM 0 HG12 ILE A 20 36.870 8.372 10.926 1.00 0.00 H new ATOM 0 HG13 ILE A 20 35.529 8.056 9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.512 5.694 12.513 1.00 0.00 H new ATOM 0 HG22 ILE A 20 37.596 4.718 11.494 1.00 0.00 H new ATOM 0 HG23 ILE A 20 38.083 6.354 11.997 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.731 8.793 12.035 1.00 0.00 H new ATOM 0 HD12 ILE A 20 34.220 7.118 11.716 1.00 0.00 H new ATOM 0 HD13 ILE A 20 35.582 7.439 12.816 1.00 0.00 H new ATOM 581 N ILE A 21 37.383 4.253 8.134 1.00 0.00 N ATOM 582 CA ILE A 21 37.741 2.885 7.779 1.00 0.00 C ATOM 583 C ILE A 21 39.156 2.813 7.178 1.00 0.00 C ATOM 584 O ILE A 21 39.857 1.814 7.322 1.00 0.00 O ATOM 585 CB ILE A 21 36.709 2.256 6.794 1.00 0.00 C ATOM 586 CG1 ILE A 21 37.054 0.790 6.505 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.634 3.054 5.501 1.00 0.00 C ATOM 588 CD1 ILE A 21 36.111 0.123 5.527 1.00 0.00 C ATOM 0 H ILE A 21 36.544 4.602 7.671 1.00 0.00 H new ATOM 0 HA ILE A 21 37.727 2.306 8.703 1.00 0.00 H new ATOM 0 HB ILE A 21 35.729 2.289 7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 21 38.069 0.736 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 21 37.045 0.233 7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.907 2.594 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.328 4.077 5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 21 37.613 3.064 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 21 36.419 -0.911 5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 21 35.097 0.144 5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 21 36.137 0.655 4.576 1.00 0.00 H new ATOM 600 N GLN A 22 39.573 3.896 6.544 1.00 0.00 N ATOM 601 CA GLN A 22 40.887 3.972 5.911 1.00 0.00 C ATOM 602 C GLN A 22 41.988 4.148 6.955 1.00 0.00 C ATOM 603 O GLN A 22 43.166 3.959 6.666 1.00 0.00 O ATOM 604 CB GLN A 22 40.926 5.148 4.947 1.00 0.00 C ATOM 605 CG GLN A 22 39.806 5.154 3.925 1.00 0.00 C ATOM 606 CD GLN A 22 39.760 6.442 3.137 1.00 0.00 C ATOM 607 OE1 GLN A 22 40.785 7.084 2.909 1.00 0.00 O ATOM 608 NE2 GLN A 22 38.574 6.842 2.739 1.00 0.00 N ATOM 0 H GLN A 22 39.016 4.746 6.451 1.00 0.00 H new ATOM 0 HA GLN A 22 41.058 3.040 5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.884 6.074 5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.881 5.141 4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 22 39.936 4.316 3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 22 38.853 5.006 4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 22 37.749 6.280 2.949 1.00 0.00 H new ATOM 0 HE22 GLN A 22 38.478 7.715 2.220 1.00 0.00 H new ATOM 617 N LYS A 23 41.598 4.520 8.161 1.00 0.00 N ATOM 618 CA LYS A 23 42.554 4.776 9.225 1.00 0.00 C ATOM 619 C LYS A 23 42.652 3.583 10.165 1.00 0.00 C ATOM 620 O LYS A 23 43.575 3.490 10.974 1.00 0.00 O ATOM 621 CB LYS A 23 42.140 6.029 10.009 1.00 0.00 C ATOM 622 CG LYS A 23 41.703 7.209 9.132 1.00 0.00 C ATOM 623 CD LYS A 23 42.877 8.041 8.596 1.00 0.00 C ATOM 624 CE LYS A 23 43.790 7.238 7.685 1.00 0.00 C ATOM 625 NZ LYS A 23 44.619 8.111 6.821 1.00 0.00 N ATOM 0 H LYS A 23 40.623 4.652 8.429 1.00 0.00 H new ATOM 0 HA LYS A 23 43.534 4.939 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.322 5.769 10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.976 6.345 10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.122 6.831 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 23 41.043 7.856 9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.489 8.901 8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.455 8.430 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.439 6.604 8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 23 43.189 6.576 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 45.476 7.598 6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 44.074 8.383 5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 44.889 8.966 7.349 1.00 0.00 H new ATOM 639 N LEU A 24 41.699 2.669 10.051 1.00 0.00 N ATOM 640 CA LEU A 24 41.672 1.488 10.898 1.00 0.00 C ATOM 641 C LEU A 24 42.837 0.569 10.542 1.00 0.00 C ATOM 642 O LEU A 24 42.902 0.022 9.441 1.00 0.00 O ATOM 643 CB LEU A 24 40.316 0.757 10.758 1.00 0.00 C ATOM 644 CG LEU A 24 39.933 -0.242 11.883 1.00 0.00 C ATOM 645 CD1 LEU A 24 40.786 -1.502 11.831 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.041 0.421 13.254 1.00 0.00 C ATOM 0 H LEU A 24 40.934 2.724 9.379 1.00 0.00 H new ATOM 0 HA LEU A 24 41.781 1.790 11.940 1.00 0.00 H new ATOM 0 HB2 LEU A 24 39.531 1.510 10.692 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.319 0.216 9.812 1.00 0.00 H new ATOM 0 HG LEU A 24 38.897 -0.537 11.719 1.00 0.00 H new ATOM 0 HD11 LEU A 24 40.488 -2.176 12.634 1.00 0.00 H new ATOM 0 HD12 LEU A 24 40.645 -1.997 10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 24 41.836 -1.236 11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.768 -0.297 14.028 1.00 0.00 H new ATOM 0 HD22 LEU A 24 41.065 0.757 13.416 1.00 0.00 H new ATOM 0 HD23 LEU A 24 39.367 1.276 13.299 1.00 0.00 H new ATOM 658 N GLY A 25 43.753 0.425 11.477 1.00 0.00 N ATOM 659 CA GLY A 25 44.927 -0.389 11.271 1.00 0.00 C ATOM 660 C GLY A 25 46.111 0.433 10.828 1.00 0.00 C ATOM 661 O GLY A 25 47.227 -0.070 10.754 1.00 0.00 O ATOM 0 H GLY A 25 43.703 0.867 12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.173 -0.911 12.195 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.713 -1.151 10.522 1.00 0.00 H new ATOM 665 N GLN A 26 45.877 1.703 10.559 1.00 0.00 N ATOM 666 CA GLN A 26 46.927 2.580 10.083 1.00 0.00 C ATOM 667 C GLN A 26 47.618 3.273 11.257 1.00 0.00 C ATOM 668 O GLN A 26 47.019 3.455 12.325 1.00 0.00 O ATOM 669 CB GLN A 26 46.353 3.619 9.118 1.00 0.00 C ATOM 670 CG GLN A 26 47.366 4.163 8.131 1.00 0.00 C ATOM 671 CD GLN A 26 46.822 5.303 7.302 1.00 0.00 C ATOM 672 OE1 GLN A 26 46.970 6.464 7.661 1.00 0.00 O ATOM 673 NE2 GLN A 26 46.166 4.982 6.206 1.00 0.00 N ATOM 0 H GLN A 26 44.966 2.151 10.663 1.00 0.00 H new ATOM 0 HA GLN A 26 47.665 1.979 9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.527 3.171 8.566 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.940 4.447 9.694 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.248 4.503 8.673 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.689 3.360 7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.064 4.002 5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.760 5.713 5.622 1.00 0.00 H new ATOM 682 N VAL A 27 48.874 3.648 11.057 1.00 0.00 N ATOM 683 CA VAL A 27 49.655 4.310 12.088 1.00 0.00 C ATOM 684 C VAL A 27 49.760 5.810 11.807 1.00 0.00 C ATOM 685 O VAL A 27 49.954 6.227 10.657 1.00 0.00 O ATOM 686 CB VAL A 27 51.082 3.710 12.181 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.900 4.403 13.263 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.017 2.214 12.437 1.00 0.00 C ATOM 0 H VAL A 27 49.376 3.502 10.181 1.00 0.00 H new ATOM 0 HA VAL A 27 49.141 4.153 13.036 1.00 0.00 H new ATOM 0 HB VAL A 27 51.579 3.877 11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.896 3.961 13.305 1.00 0.00 H new ATOM 0 HG12 VAL A 27 51.983 5.465 13.032 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.407 4.279 14.227 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.028 1.811 12.499 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.494 2.028 13.375 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.482 1.728 11.621 1.00 0.00 H new ATOM 698 N GLY A 28 49.625 6.608 12.848 1.00 0.00 N ATOM 699 CA GLY A 28 49.741 8.038 12.712 1.00 0.00 C ATOM 700 C GLY A 28 50.433 8.659 13.906 1.00 0.00 C ATOM 701 O GLY A 28 50.571 8.018 14.943 1.00 0.00 O ATOM 0 H GLY A 28 49.435 6.285 13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.298 8.273 11.805 1.00 0.00 H new ATOM 0 HA3 GLY A 28 48.749 8.475 12.599 1.00 0.00 H new ATOM 705 N GLN A 29 50.852 9.900 13.767 1.00 0.00 N ATOM 706 CA GLN A 29 51.549 10.603 14.835 1.00 0.00 C ATOM 707 C GLN A 29 50.608 11.558 15.567 1.00 0.00 C ATOM 708 O GLN A 29 49.857 12.303 14.937 1.00 0.00 O ATOM 709 CB GLN A 29 52.725 11.387 14.253 1.00 0.00 C ATOM 710 CG GLN A 29 53.583 12.092 15.289 1.00 0.00 C ATOM 711 CD GLN A 29 54.583 13.041 14.659 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.323 13.623 13.604 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.731 13.194 15.287 1.00 0.00 N ATOM 0 H GLN A 29 50.722 10.450 12.918 1.00 0.00 H new ATOM 0 HA GLN A 29 51.915 9.866 15.549 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.354 10.704 13.682 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.341 12.128 13.552 1.00 0.00 H new ATOM 0 HG2 GLN A 29 52.941 12.646 15.973 1.00 0.00 H new ATOM 0 HG3 GLN A 29 54.115 11.349 15.883 1.00 0.00 H new ATOM 0 HE21 GLN A 29 55.906 12.694 16.158 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.444 13.813 14.902 1.00 0.00 H new ATOM 722 N ILE A 30 50.646 11.528 16.890 1.00 0.00 N ATOM 723 CA ILE A 30 49.839 12.427 17.699 1.00 0.00 C ATOM 724 C ILE A 30 50.372 13.843 17.564 1.00 0.00 C ATOM 725 O ILE A 30 51.505 14.128 17.962 1.00 0.00 O ATOM 726 CB ILE A 30 49.862 12.034 19.195 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.363 10.599 19.389 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.018 13.009 20.015 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.432 10.121 20.827 1.00 0.00 C ATOM 0 H ILE A 30 51.230 10.888 17.428 1.00 0.00 H new ATOM 0 HA ILE A 30 48.812 12.360 17.340 1.00 0.00 H new ATOM 0 HB ILE A 30 50.893 12.086 19.546 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.332 10.532 19.042 1.00 0.00 H new ATOM 0 HG13 ILE A 30 49.954 9.930 18.764 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.044 12.719 21.065 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.419 14.017 19.907 1.00 0.00 H new ATOM 0 HG23 ILE A 30 47.988 12.988 19.658 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.063 9.097 20.888 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.465 10.155 21.173 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.818 10.766 21.455 1.00 0.00 H new ATOM 741 N THR A 31 49.576 14.716 16.993 1.00 0.00 N ATOM 742 CA THR A 31 49.991 16.084 16.793 1.00 0.00 C ATOM 743 C THR A 31 49.203 17.051 17.669 1.00 0.00 C ATOM 744 O THR A 31 49.445 18.261 17.648 1.00 0.00 O ATOM 745 CB THR A 31 49.863 16.479 15.325 1.00 0.00 C ATOM 746 OG1 THR A 31 48.592 16.040 14.812 1.00 0.00 O ATOM 747 CG2 THR A 31 50.991 15.865 14.506 1.00 0.00 C ATOM 0 H THR A 31 48.636 14.503 16.658 1.00 0.00 H new ATOM 0 HA THR A 31 51.039 16.148 17.087 1.00 0.00 H new ATOM 0 HB THR A 31 49.929 17.564 15.249 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.661 15.898 13.845 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.883 16.158 13.462 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.950 16.219 14.885 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.948 14.779 14.585 1.00 0.00 H new ATOM 755 N GLY A 32 48.269 16.522 18.438 1.00 0.00 N ATOM 756 CA GLY A 32 47.484 17.356 19.314 1.00 0.00 C ATOM 757 C GLY A 32 46.414 16.579 20.036 1.00 0.00 C ATOM 758 O GLY A 32 46.123 15.434 19.682 1.00 0.00 O ATOM 0 H GLY A 32 48.041 15.528 18.471 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.140 17.831 20.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.021 18.154 18.734 1.00 0.00 H new ATOM 762 N PHE A 33 45.829 17.190 21.043 1.00 0.00 N ATOM 763 CA PHE A 33 44.774 16.565 21.810 1.00 0.00 C ATOM 764 C PHE A 33 43.517 17.411 21.760 1.00 0.00 C ATOM 765 O PHE A 33 43.535 18.593 22.096 1.00 0.00 O ATOM 766 CB PHE A 33 45.212 16.323 23.256 1.00 0.00 C ATOM 767 CG PHE A 33 46.249 15.239 23.395 1.00 0.00 C ATOM 768 CD1 PHE A 33 47.599 15.535 23.314 1.00 0.00 C ATOM 769 CD2 PHE A 33 45.866 13.924 23.602 1.00 0.00 C ATOM 770 CE1 PHE A 33 48.549 14.539 23.438 1.00 0.00 C ATOM 771 CE2 PHE A 33 46.810 12.924 23.727 1.00 0.00 C ATOM 772 CZ PHE A 33 48.151 13.232 23.645 1.00 0.00 C ATOM 0 H PHE A 33 46.070 18.131 21.352 1.00 0.00 H new ATOM 0 HA PHE A 33 44.556 15.594 21.365 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.610 17.251 23.667 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.339 16.059 23.853 1.00 0.00 H new ATOM 0 HD1 PHE A 33 47.913 16.556 23.152 1.00 0.00 H new ATOM 0 HD2 PHE A 33 44.816 13.678 23.666 1.00 0.00 H new ATOM 0 HE1 PHE A 33 49.599 14.781 23.373 1.00 0.00 H new ATOM 0 HE2 PHE A 33 46.498 11.903 23.889 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.891 12.451 23.743 1.00 0.00 H new ATOM 782 N LYS A 34 42.440 16.798 21.355 1.00 0.00 N ATOM 783 CA LYS A 34 41.175 17.470 21.187 1.00 0.00 C ATOM 784 C LYS A 34 40.322 17.290 22.438 1.00 0.00 C ATOM 785 O LYS A 34 40.459 16.298 23.152 1.00 0.00 O ATOM 786 CB LYS A 34 40.453 16.876 19.972 1.00 0.00 C ATOM 787 CG LYS A 34 39.291 17.699 19.469 1.00 0.00 C ATOM 788 CD LYS A 34 38.595 17.017 18.304 1.00 0.00 C ATOM 789 CE LYS A 34 37.353 17.779 17.861 1.00 0.00 C ATOM 790 NZ LYS A 34 37.656 19.189 17.505 1.00 0.00 N ATOM 0 H LYS A 34 42.412 15.804 21.128 1.00 0.00 H new ATOM 0 HA LYS A 34 41.343 18.535 21.029 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.172 16.753 19.162 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.092 15.881 20.231 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.578 17.859 20.278 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.646 18.682 19.159 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.287 16.932 17.466 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.316 16.003 18.591 1.00 0.00 H new ATOM 0 HE2 LYS A 34 36.908 17.277 17.002 1.00 0.00 H new ATOM 0 HE3 LYS A 34 36.612 17.759 18.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.830 19.614 17.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 37.878 19.725 18.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 38.472 19.217 16.861 1.00 0.00 H new ATOM 804 N MET A 35 39.466 18.243 22.711 1.00 0.00 N ATOM 805 CA MET A 35 38.578 18.143 23.851 1.00 0.00 C ATOM 806 C MET A 35 37.199 17.689 23.406 1.00 0.00 C ATOM 807 O MET A 35 36.532 18.366 22.621 1.00 0.00 O ATOM 808 CB MET A 35 38.478 19.476 24.614 1.00 0.00 C ATOM 809 CG MET A 35 38.093 20.673 23.754 1.00 0.00 C ATOM 810 SD MET A 35 37.294 21.984 24.696 1.00 0.00 S ATOM 811 CE MET A 35 35.755 21.175 25.139 1.00 0.00 C ATOM 0 H MET A 35 39.362 19.097 22.163 1.00 0.00 H new ATOM 0 HA MET A 35 38.997 17.402 24.532 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.744 19.368 25.412 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.438 19.680 25.089 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.987 21.071 23.273 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.423 20.343 22.960 1.00 0.00 H new ATOM 0 HE1 MET A 35 34.915 21.778 24.794 1.00 0.00 H new ATOM 0 HE2 MET A 35 35.713 20.192 24.670 1.00 0.00 H new ATOM 0 HE3 MET A 35 35.701 21.063 26.222 1.00 0.00 H new ATOM 821 N THR A 36 36.781 16.537 23.879 1.00 0.00 N ATOM 822 CA THR A 36 35.475 16.025 23.541 1.00 0.00 C ATOM 823 C THR A 36 34.662 15.782 24.806 1.00 0.00 C ATOM 824 O THR A 36 34.904 14.826 25.539 1.00 0.00 O ATOM 825 CB THR A 36 35.580 14.708 22.724 1.00 0.00 C ATOM 826 OG1 THR A 36 36.413 13.757 23.414 1.00 0.00 O ATOM 827 CG2 THR A 36 36.156 14.963 21.335 1.00 0.00 C ATOM 0 H THR A 36 37.327 15.938 24.498 1.00 0.00 H new ATOM 0 HA THR A 36 34.973 16.771 22.925 1.00 0.00 H new ATOM 0 HB THR A 36 34.573 14.306 22.617 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.653 14.112 24.295 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.217 14.022 20.788 1.00 0.00 H new ATOM 0 HG22 THR A 36 35.510 15.656 20.795 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.153 15.394 21.428 1.00 0.00 H new ATOM 835 N ASP A 37 33.698 16.636 25.061 1.00 0.00 N ATOM 836 CA ASP A 37 32.882 16.498 26.250 1.00 0.00 C ATOM 837 C ASP A 37 31.922 15.336 26.098 1.00 0.00 C ATOM 838 O ASP A 37 31.250 15.196 25.077 1.00 0.00 O ATOM 839 CB ASP A 37 32.138 17.801 26.574 1.00 0.00 C ATOM 840 CG ASP A 37 31.255 18.281 25.447 1.00 0.00 C ATOM 841 OD1 ASP A 37 31.774 18.911 24.508 1.00 0.00 O ATOM 842 OD2 ASP A 37 30.032 18.054 25.509 1.00 0.00 O ATOM 0 H ASP A 37 33.459 17.430 24.467 1.00 0.00 H new ATOM 0 HA ASP A 37 33.541 16.288 27.093 1.00 0.00 H new ATOM 0 HB2 ASP A 37 31.529 17.651 27.465 1.00 0.00 H new ATOM 0 HB3 ASP A 37 32.865 18.577 26.812 1.00 0.00 H new ATOM 847 N GLY A 38 31.895 14.479 27.097 1.00 0.00 N ATOM 848 CA GLY A 38 31.052 13.309 27.047 1.00 0.00 C ATOM 849 C GLY A 38 31.854 12.056 26.762 1.00 0.00 C ATOM 850 O GLY A 38 31.406 10.942 27.033 1.00 0.00 O ATOM 0 H GLY A 38 32.446 14.572 27.950 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.527 13.198 27.995 1.00 0.00 H new ATOM 0 HA3 GLY A 38 30.293 13.439 26.276 1.00 0.00 H new ATOM 854 N SER A 39 33.044 12.239 26.225 1.00 0.00 N ATOM 855 CA SER A 39 33.908 11.123 25.889 1.00 0.00 C ATOM 856 C SER A 39 35.290 11.269 26.530 1.00 0.00 C ATOM 857 O SER A 39 35.949 10.276 26.840 1.00 0.00 O ATOM 858 CB SER A 39 34.021 11.001 24.370 1.00 0.00 C ATOM 859 OG SER A 39 34.082 12.287 23.766 1.00 0.00 O ATOM 0 H SER A 39 33.437 13.155 26.011 1.00 0.00 H new ATOM 0 HA SER A 39 33.465 10.211 26.288 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.912 10.430 24.111 1.00 0.00 H new ATOM 0 HB3 SER A 39 33.165 10.451 23.980 1.00 0.00 H new ATOM 0 HG SER A 39 35.012 12.594 23.743 1.00 0.00 H new ATOM 865 N GLY A 40 35.722 12.503 26.724 1.00 0.00 N ATOM 866 CA GLY A 40 37.004 12.743 27.343 1.00 0.00 C ATOM 867 C GLY A 40 37.958 13.466 26.421 1.00 0.00 C ATOM 868 O GLY A 40 37.601 14.475 25.806 1.00 0.00 O ATOM 0 H GLY A 40 35.206 13.344 26.463 1.00 0.00 H new ATOM 0 HA2 GLY A 40 36.863 13.331 28.250 1.00 0.00 H new ATOM 0 HA3 GLY A 40 37.443 11.792 27.644 1.00 0.00 H new ATOM 872 N VAL A 41 39.159 12.953 26.304 1.00 0.00 N ATOM 873 CA VAL A 41 40.155 13.573 25.465 1.00 0.00 C ATOM 874 C VAL A 41 40.279 12.842 24.137 1.00 0.00 C ATOM 875 O VAL A 41 40.439 11.623 24.096 1.00 0.00 O ATOM 876 CB VAL A 41 41.538 13.627 26.169 1.00 0.00 C ATOM 877 CG1 VAL A 41 42.600 14.197 25.239 1.00 0.00 C ATOM 878 CG2 VAL A 41 41.451 14.456 27.442 1.00 0.00 C ATOM 0 H VAL A 41 39.470 12.106 26.780 1.00 0.00 H new ATOM 0 HA VAL A 41 39.826 14.595 25.276 1.00 0.00 H new ATOM 0 HB VAL A 41 41.826 12.609 26.431 1.00 0.00 H new ATOM 0 HG11 VAL A 41 43.559 14.224 25.756 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.683 13.568 24.353 1.00 0.00 H new ATOM 0 HG13 VAL A 41 42.319 15.207 24.942 1.00 0.00 H new ATOM 0 HG21 VAL A 41 42.428 14.485 27.925 1.00 0.00 H new ATOM 0 HG22 VAL A 41 41.138 15.470 27.195 1.00 0.00 H new ATOM 0 HG23 VAL A 41 40.725 14.007 28.120 1.00 0.00 H new ATOM 888 N GLY A 42 40.180 13.594 23.062 1.00 0.00 N ATOM 889 CA GLY A 42 40.334 13.036 21.749 1.00 0.00 C ATOM 890 C GLY A 42 41.749 13.214 21.268 1.00 0.00 C ATOM 891 O GLY A 42 42.397 14.197 21.602 1.00 0.00 O ATOM 0 H GLY A 42 39.993 14.597 23.079 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.079 11.976 21.765 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.644 13.520 21.058 1.00 0.00 H new ATOM 895 N VAL A 43 42.232 12.286 20.507 1.00 0.00 N ATOM 896 CA VAL A 43 43.589 12.344 20.030 1.00 0.00 C ATOM 897 C VAL A 43 43.629 12.750 18.567 1.00 0.00 C ATOM 898 O VAL A 43 43.175 12.009 17.701 1.00 0.00 O ATOM 899 CB VAL A 43 44.289 10.979 20.194 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.785 11.111 19.979 1.00 0.00 C ATOM 901 CG2 VAL A 43 43.989 10.383 21.560 1.00 0.00 C ATOM 0 H VAL A 43 41.707 11.469 20.196 1.00 0.00 H new ATOM 0 HA VAL A 43 44.114 13.090 20.626 1.00 0.00 H new ATOM 0 HB VAL A 43 43.898 10.302 19.434 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.257 10.136 20.100 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.976 11.485 18.973 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.198 11.807 20.709 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.492 9.421 21.655 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.346 11.058 22.338 1.00 0.00 H new ATOM 0 HG23 VAL A 43 42.913 10.243 21.667 1.00 0.00 H new ATOM 911 N ILE A 44 44.154 13.936 18.294 1.00 0.00 N ATOM 912 CA ILE A 44 44.291 14.401 16.928 1.00 0.00 C ATOM 913 C ILE A 44 45.542 13.784 16.319 1.00 0.00 C ATOM 914 O ILE A 44 46.672 14.201 16.609 1.00 0.00 O ATOM 915 CB ILE A 44 44.350 15.950 16.841 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.046 16.553 17.368 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.608 16.402 15.407 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.029 18.071 17.375 1.00 0.00 C ATOM 0 H ILE A 44 44.490 14.590 19.001 1.00 0.00 H new ATOM 0 HA ILE A 44 43.410 14.088 16.368 1.00 0.00 H new ATOM 0 HB ILE A 44 45.176 16.302 17.459 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.218 16.193 16.758 1.00 0.00 H new ATOM 0 HG13 ILE A 44 42.874 16.193 18.382 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.645 17.491 15.370 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.558 15.994 15.062 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.805 16.044 14.763 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.072 18.422 17.762 1.00 0.00 H new ATOM 0 HD12 ILE A 44 43.835 18.441 18.009 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.168 18.441 16.359 1.00 0.00 H new ATOM 930 N VAL A 45 45.335 12.771 15.508 1.00 0.00 N ATOM 931 CA VAL A 45 46.424 12.010 14.937 1.00 0.00 C ATOM 932 C VAL A 45 46.650 12.355 13.474 1.00 0.00 C ATOM 933 O VAL A 45 45.718 12.340 12.671 1.00 0.00 O ATOM 934 CB VAL A 45 46.136 10.494 15.046 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.344 9.679 14.629 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.698 10.126 16.454 1.00 0.00 C ATOM 0 H VAL A 45 44.408 12.452 15.226 1.00 0.00 H new ATOM 0 HA VAL A 45 47.321 12.267 15.501 1.00 0.00 H new ATOM 0 HB VAL A 45 45.319 10.259 14.363 1.00 0.00 H new ATOM 0 HG11 VAL A 45 47.114 8.617 14.715 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.601 9.912 13.596 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.187 9.921 15.276 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.501 9.055 16.506 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.487 10.384 17.160 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.791 10.674 16.708 1.00 0.00 H new ATOM 946 N THR A 46 47.883 12.671 13.137 1.00 0.00 N ATOM 947 CA THR A 46 48.261 12.918 11.769 1.00 0.00 C ATOM 948 C THR A 46 48.862 11.641 11.194 1.00 0.00 C ATOM 949 O THR A 46 49.981 11.256 11.535 1.00 0.00 O ATOM 950 CB THR A 46 49.270 14.076 11.656 1.00 0.00 C ATOM 951 OG1 THR A 46 48.691 15.267 12.214 1.00 0.00 O ATOM 952 CG2 THR A 46 49.641 14.334 10.202 1.00 0.00 C ATOM 0 H THR A 46 48.648 12.763 13.806 1.00 0.00 H new ATOM 0 HA THR A 46 47.374 13.208 11.207 1.00 0.00 H new ATOM 0 HB THR A 46 50.173 13.803 12.203 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.260 16.037 12.004 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.355 15.156 10.149 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.089 13.436 9.776 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.745 14.594 9.639 1.00 0.00 H new ATOM 960 N PHE A 47 48.100 10.980 10.353 1.00 0.00 N ATOM 961 CA PHE A 47 48.495 9.698 9.792 1.00 0.00 C ATOM 962 C PHE A 47 49.542 9.837 8.701 1.00 0.00 C ATOM 963 O PHE A 47 49.929 10.946 8.328 1.00 0.00 O ATOM 964 CB PHE A 47 47.274 8.971 9.255 1.00 0.00 C ATOM 965 CG PHE A 47 46.338 8.501 10.325 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.391 9.356 10.860 1.00 0.00 C ATOM 967 CD2 PHE A 47 46.404 7.201 10.794 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.528 8.922 11.842 1.00 0.00 C ATOM 969 CE2 PHE A 47 45.546 6.762 11.775 1.00 0.00 C ATOM 970 CZ PHE A 47 44.605 7.622 12.300 1.00 0.00 C ATOM 0 H PHE A 47 47.189 11.311 10.036 1.00 0.00 H new ATOM 0 HA PHE A 47 48.947 9.118 10.596 1.00 0.00 H new ATOM 0 HB2 PHE A 47 46.735 9.634 8.578 1.00 0.00 H new ATOM 0 HB3 PHE A 47 47.601 8.113 8.668 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.328 10.374 10.504 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.138 6.523 10.385 1.00 0.00 H new ATOM 0 HE1 PHE A 47 43.792 9.598 12.253 1.00 0.00 H new ATOM 0 HE2 PHE A 47 45.609 5.745 12.134 1.00 0.00 H new ATOM 0 HZ PHE A 47 43.929 7.279 13.069 1.00 0.00 H new ATOM 980 N ASP A 48 49.980 8.690 8.174 1.00 0.00 N ATOM 981 CA ASP A 48 50.997 8.641 7.118 1.00 0.00 C ATOM 982 C ASP A 48 50.508 9.336 5.848 1.00 0.00 C ATOM 983 O ASP A 48 51.298 9.753 5.010 1.00 0.00 O ATOM 984 CB ASP A 48 51.385 7.193 6.826 1.00 0.00 C ATOM 985 CG ASP A 48 52.477 7.065 5.778 1.00 0.00 C ATOM 986 OD1 ASP A 48 53.624 7.478 6.053 1.00 0.00 O ATOM 987 OD2 ASP A 48 52.203 6.525 4.689 1.00 0.00 O ATOM 0 H ASP A 48 49.642 7.773 8.465 1.00 0.00 H new ATOM 0 HA ASP A 48 51.880 9.176 7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 48 51.720 6.720 7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 48 50.503 6.648 6.490 1.00 0.00 H new ATOM 992 N ASP A 49 49.191 9.477 5.728 1.00 0.00 N ATOM 993 CA ASP A 49 48.586 10.175 4.588 1.00 0.00 C ATOM 994 C ASP A 49 48.739 11.684 4.743 1.00 0.00 C ATOM 995 O ASP A 49 48.283 12.456 3.896 1.00 0.00 O ATOM 996 CB ASP A 49 47.097 9.823 4.459 1.00 0.00 C ATOM 997 CG ASP A 49 46.859 8.371 4.117 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.967 8.010 2.926 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.560 7.582 5.035 1.00 0.00 O ATOM 0 H ASP A 49 48.518 9.118 6.405 1.00 0.00 H new ATOM 0 HA ASP A 49 49.105 9.852 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.592 10.057 5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 49 46.647 10.450 3.689 1.00 0.00 H new ATOM 1004 N ARG A 50 49.377 12.094 5.847 1.00 0.00 N ATOM 1005 CA ARG A 50 49.611 13.502 6.167 1.00 0.00 C ATOM 1006 C ARG A 50 48.308 14.221 6.474 1.00 0.00 C ATOM 1007 O ARG A 50 48.225 15.443 6.407 1.00 0.00 O ATOM 1008 CB ARG A 50 50.379 14.213 5.048 1.00 0.00 C ATOM 1009 CG ARG A 50 51.808 13.725 4.885 1.00 0.00 C ATOM 1010 CD ARG A 50 52.555 14.522 3.830 1.00 0.00 C ATOM 1011 NE ARG A 50 52.552 15.958 4.126 1.00 0.00 N ATOM 1012 CZ ARG A 50 53.637 16.664 4.453 1.00 0.00 C ATOM 1013 NH1 ARG A 50 54.820 16.069 4.561 1.00 0.00 N ATOM 1014 NH2 ARG A 50 53.536 17.966 4.681 1.00 0.00 N ATOM 0 H ARG A 50 49.747 11.450 6.546 1.00 0.00 H new ATOM 0 HA ARG A 50 50.230 13.532 7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 50 49.847 14.072 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 50 50.391 15.284 5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 50 52.331 13.803 5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.804 12.670 4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 50 53.583 14.166 3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 50 52.098 14.351 2.855 1.00 0.00 H new ATOM 0 HE ARG A 50 51.660 16.451 4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 50 54.904 15.066 4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 50 55.644 16.615 4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 50 52.630 18.428 4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 50 54.365 18.506 4.931 1.00 0.00 H new ATOM 1028 N SER A 51 47.300 13.449 6.826 1.00 0.00 N ATOM 1029 CA SER A 51 46.008 13.990 7.179 1.00 0.00 C ATOM 1030 C SER A 51 45.740 13.744 8.658 1.00 0.00 C ATOM 1031 O SER A 51 46.072 12.673 9.187 1.00 0.00 O ATOM 1032 CB SER A 51 44.927 13.341 6.327 1.00 0.00 C ATOM 1033 OG SER A 51 45.274 13.394 4.952 1.00 0.00 O ATOM 0 H SER A 51 47.355 12.432 6.875 1.00 0.00 H new ATOM 0 HA SER A 51 45.999 15.064 6.993 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.789 12.304 6.633 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.976 13.849 6.487 1.00 0.00 H new ATOM 0 HG SER A 51 44.568 12.971 4.420 1.00 0.00 H new ATOM 1039 N SER A 52 45.159 14.720 9.317 1.00 0.00 N ATOM 1040 CA SER A 52 44.887 14.621 10.731 1.00 0.00 C ATOM 1041 C SER A 52 43.433 14.242 10.998 1.00 0.00 C ATOM 1042 O SER A 52 42.514 14.760 10.364 1.00 0.00 O ATOM 1043 CB SER A 52 45.246 15.938 11.412 1.00 0.00 C ATOM 1044 OG SER A 52 44.826 17.045 10.624 1.00 0.00 O ATOM 0 H SER A 52 44.864 15.599 8.891 1.00 0.00 H new ATOM 0 HA SER A 52 45.503 13.825 11.148 1.00 0.00 H new ATOM 0 HB2 SER A 52 44.775 15.985 12.394 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.323 15.988 11.573 1.00 0.00 H new ATOM 0 HG SER A 52 45.064 17.880 11.079 1.00 0.00 H new ATOM 1050 N THR A 53 43.244 13.312 11.909 1.00 0.00 N ATOM 1051 CA THR A 53 41.927 12.858 12.302 1.00 0.00 C ATOM 1052 C THR A 53 41.947 12.505 13.791 1.00 0.00 C ATOM 1053 O THR A 53 42.946 11.988 14.293 1.00 0.00 O ATOM 1054 CB THR A 53 41.495 11.629 11.465 1.00 0.00 C ATOM 1055 OG1 THR A 53 41.638 11.935 10.068 1.00 0.00 O ATOM 1056 CG2 THR A 53 40.046 11.252 11.746 1.00 0.00 C ATOM 0 H THR A 53 44.006 12.846 12.402 1.00 0.00 H new ATOM 0 HA THR A 53 41.205 13.655 12.122 1.00 0.00 H new ATOM 0 HB THR A 53 42.130 10.787 11.739 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.367 11.159 9.534 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.772 10.386 11.144 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.931 11.010 12.803 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.396 12.090 11.493 1.00 0.00 H new ATOM 1064 N TRP A 54 40.870 12.806 14.494 1.00 0.00 N ATOM 1065 CA TRP A 54 40.819 12.572 15.926 1.00 0.00 C ATOM 1066 C TRP A 54 40.149 11.246 16.272 1.00 0.00 C ATOM 1067 O TRP A 54 39.131 10.879 15.690 1.00 0.00 O ATOM 1068 CB TRP A 54 40.130 13.743 16.650 1.00 0.00 C ATOM 1069 CG TRP A 54 38.759 14.070 16.131 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.457 14.841 15.047 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.505 13.646 16.684 1.00 0.00 C ATOM 1072 NE1 TRP A 54 37.098 14.916 14.885 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.490 14.191 15.877 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.145 12.855 17.780 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.138 13.972 16.130 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.802 12.639 18.030 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.814 13.195 17.208 1.00 0.00 C ATOM 0 H TRP A 54 40.022 13.212 14.099 1.00 0.00 H new ATOM 0 HA TRP A 54 41.849 12.508 16.276 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.057 13.506 17.711 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.759 14.629 16.564 1.00 0.00 H new ATOM 0 HD1 TRP A 54 39.183 15.322 14.409 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.617 15.428 14.146 1.00 0.00 H new ATOM 0 HE3 TRP A 54 37.901 12.422 18.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.374 14.400 15.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.510 12.031 18.874 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.774 13.006 17.430 1.00 0.00 H new ATOM 1088 N PHE A 55 40.752 10.539 17.211 1.00 0.00 N ATOM 1089 CA PHE A 55 40.246 9.264 17.703 1.00 0.00 C ATOM 1090 C PHE A 55 40.278 9.261 19.224 1.00 0.00 C ATOM 1091 O PHE A 55 40.877 10.144 19.828 1.00 0.00 O ATOM 1092 CB PHE A 55 41.089 8.103 17.163 1.00 0.00 C ATOM 1093 CG PHE A 55 40.872 7.819 15.704 1.00 0.00 C ATOM 1094 CD1 PHE A 55 41.584 8.501 14.732 1.00 0.00 C ATOM 1095 CD2 PHE A 55 39.952 6.867 15.308 1.00 0.00 C ATOM 1096 CE1 PHE A 55 41.379 8.236 13.393 1.00 0.00 C ATOM 1097 CE2 PHE A 55 39.744 6.598 13.974 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.459 7.283 13.015 1.00 0.00 C ATOM 0 H PHE A 55 41.618 10.835 17.661 1.00 0.00 H new ATOM 0 HA PHE A 55 39.221 9.135 17.357 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.143 8.326 17.327 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.861 7.204 17.736 1.00 0.00 H new ATOM 0 HD1 PHE A 55 42.307 9.248 15.024 1.00 0.00 H new ATOM 0 HD2 PHE A 55 39.389 6.327 16.055 1.00 0.00 H new ATOM 0 HE1 PHE A 55 41.939 8.775 12.643 1.00 0.00 H new ATOM 0 HE2 PHE A 55 39.022 5.851 13.679 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.298 7.073 11.968 1.00 0.00 H new ATOM 1108 N PHE A 56 39.640 8.291 19.843 1.00 0.00 N ATOM 1109 CA PHE A 56 39.619 8.222 21.299 1.00 0.00 C ATOM 1110 C PHE A 56 40.856 7.505 21.848 1.00 0.00 C ATOM 1111 O PHE A 56 41.515 6.737 21.144 1.00 0.00 O ATOM 1112 CB PHE A 56 38.346 7.545 21.804 1.00 0.00 C ATOM 1113 CG PHE A 56 37.080 8.171 21.284 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.634 9.383 21.786 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.340 7.550 20.291 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.474 9.962 21.307 1.00 0.00 C ATOM 1117 CE2 PHE A 56 35.181 8.124 19.809 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.746 9.331 20.318 1.00 0.00 C ATOM 0 H PHE A 56 39.132 7.543 19.371 1.00 0.00 H new ATOM 0 HA PHE A 56 39.632 9.248 21.667 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.366 6.494 21.516 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.336 7.577 22.893 1.00 0.00 H new ATOM 0 HD1 PHE A 56 37.199 9.881 22.560 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.674 6.605 19.889 1.00 0.00 H new ATOM 0 HE1 PHE A 56 35.137 10.907 21.706 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.615 7.629 19.034 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.838 9.781 19.944 1.00 0.00 H new ATOM 1128 N GLU A 57 41.152 7.760 23.117 1.00 0.00 N ATOM 1129 CA GLU A 57 42.316 7.192 23.804 1.00 0.00 C ATOM 1130 C GLU A 57 42.281 5.667 23.813 1.00 0.00 C ATOM 1131 O GLU A 57 43.257 5.012 23.474 1.00 0.00 O ATOM 1132 CB GLU A 57 42.344 7.688 25.242 1.00 0.00 C ATOM 1133 CG GLU A 57 42.031 9.158 25.378 1.00 0.00 C ATOM 1134 CD GLU A 57 41.747 9.561 26.805 1.00 0.00 C ATOM 1135 OE1 GLU A 57 42.685 9.560 27.629 1.00 0.00 O ATOM 1136 OE2 GLU A 57 40.570 9.866 27.118 1.00 0.00 O ATOM 0 H GLU A 57 40.588 8.372 23.707 1.00 0.00 H new ATOM 0 HA GLU A 57 43.208 7.512 23.265 1.00 0.00 H new ATOM 0 HB2 GLU A 57 41.626 7.116 25.829 1.00 0.00 H new ATOM 0 HB3 GLU A 57 43.329 7.494 25.666 1.00 0.00 H new ATOM 0 HG2 GLU A 57 42.871 9.741 25.000 1.00 0.00 H new ATOM 0 HG3 GLU A 57 41.169 9.401 24.757 1.00 0.00 H new ATOM 1143 N ASP A 58 41.146 5.113 24.195 1.00 0.00 N ATOM 1144 CA ASP A 58 40.995 3.662 24.313 1.00 0.00 C ATOM 1145 C ASP A 58 40.644 3.032 22.954 1.00 0.00 C ATOM 1146 O ASP A 58 40.286 1.855 22.857 1.00 0.00 O ATOM 1147 CB ASP A 58 39.922 3.338 25.366 1.00 0.00 C ATOM 1148 CG ASP A 58 39.828 1.862 25.693 1.00 0.00 C ATOM 1149 OD1 ASP A 58 40.868 1.251 26.020 1.00 0.00 O ATOM 1150 OD2 ASP A 58 38.710 1.310 25.641 1.00 0.00 O ATOM 0 H ASP A 58 40.307 5.643 24.432 1.00 0.00 H new ATOM 0 HA ASP A 58 41.944 3.234 24.635 1.00 0.00 H new ATOM 0 HB2 ASP A 58 40.140 3.892 26.279 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.954 3.685 25.006 1.00 0.00 H new ATOM 1155 N GLU A 59 40.774 3.825 21.916 1.00 0.00 N ATOM 1156 CA GLU A 59 40.465 3.401 20.562 1.00 0.00 C ATOM 1157 C GLU A 59 41.755 3.208 19.753 1.00 0.00 C ATOM 1158 O GLU A 59 41.795 2.444 18.780 1.00 0.00 O ATOM 1159 CB GLU A 59 39.552 4.459 19.936 1.00 0.00 C ATOM 1160 CG GLU A 59 39.274 4.322 18.464 1.00 0.00 C ATOM 1161 CD GLU A 59 38.208 5.297 18.021 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.440 6.514 18.132 1.00 0.00 O ATOM 1163 OE2 GLU A 59 37.120 4.845 17.610 1.00 0.00 O ATOM 0 H GLU A 59 41.099 4.790 21.983 1.00 0.00 H new ATOM 0 HA GLU A 59 39.952 2.439 20.566 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.599 4.444 20.466 1.00 0.00 H new ATOM 0 HB3 GLU A 59 39.997 5.439 20.109 1.00 0.00 H new ATOM 0 HG2 GLU A 59 40.190 4.498 17.899 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.954 3.303 18.244 1.00 0.00 H new ATOM 1170 N VAL A 60 42.819 3.868 20.187 1.00 0.00 N ATOM 1171 CA VAL A 60 44.103 3.773 19.513 1.00 0.00 C ATOM 1172 C VAL A 60 45.202 3.394 20.501 1.00 0.00 C ATOM 1173 O VAL A 60 45.165 3.788 21.663 1.00 0.00 O ATOM 1174 CB VAL A 60 44.476 5.105 18.805 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.431 5.465 17.766 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.636 6.239 19.813 1.00 0.00 C ATOM 0 H VAL A 60 42.817 4.477 21.006 1.00 0.00 H new ATOM 0 HA VAL A 60 44.014 2.994 18.756 1.00 0.00 H new ATOM 0 HB VAL A 60 45.433 4.962 18.304 1.00 0.00 H new ATOM 0 HG11 VAL A 60 43.708 6.400 17.280 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.371 4.672 17.020 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.461 5.581 18.250 1.00 0.00 H new ATOM 0 HG21 VAL A 60 44.897 7.158 19.288 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.699 6.382 20.351 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.426 5.988 20.520 1.00 0.00 H new ATOM 1186 N GLU A 61 46.164 2.620 20.047 1.00 0.00 N ATOM 1187 CA GLU A 61 47.258 2.201 20.910 1.00 0.00 C ATOM 1188 C GLU A 61 48.545 2.907 20.531 1.00 0.00 C ATOM 1189 O GLU A 61 48.742 3.275 19.373 1.00 0.00 O ATOM 1190 CB GLU A 61 47.451 0.692 20.847 1.00 0.00 C ATOM 1191 CG GLU A 61 47.730 0.163 19.456 1.00 0.00 C ATOM 1192 CD GLU A 61 47.997 -1.315 19.456 1.00 0.00 C ATOM 1193 OE1 GLU A 61 47.077 -2.086 19.794 1.00 0.00 O ATOM 1194 OE2 GLU A 61 49.120 -1.719 19.121 1.00 0.00 O ATOM 0 H GLU A 61 46.215 2.267 19.091 1.00 0.00 H new ATOM 0 HA GLU A 61 46.999 2.476 21.933 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.277 0.414 21.502 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.557 0.205 21.237 1.00 0.00 H new ATOM 0 HG2 GLU A 61 46.879 0.377 18.810 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.589 0.686 19.035 1.00 0.00 H new ATOM 1201 N VAL A 62 49.416 3.084 21.504 1.00 0.00 N ATOM 1202 CA VAL A 62 50.678 3.764 21.294 1.00 0.00 C ATOM 1203 C VAL A 62 51.684 2.836 20.615 1.00 0.00 C ATOM 1204 O VAL A 62 51.794 1.653 20.964 1.00 0.00 O ATOM 1205 CB VAL A 62 51.264 4.280 22.633 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.542 5.069 22.400 1.00 0.00 C ATOM 1207 CG2 VAL A 62 50.237 5.129 23.371 1.00 0.00 C ATOM 0 H VAL A 62 49.269 2.761 22.460 1.00 0.00 H new ATOM 0 HA VAL A 62 50.488 4.619 20.645 1.00 0.00 H new ATOM 0 HB VAL A 62 51.510 3.417 23.251 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.932 5.420 23.355 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.282 4.430 21.918 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.330 5.925 21.759 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.664 5.483 24.309 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.959 5.983 22.753 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.351 4.529 23.580 1.00 0.00 H new ATOM 1217 N VAL A 63 52.403 3.376 19.641 1.00 0.00 N ATOM 1218 CA VAL A 63 53.397 2.626 18.884 1.00 0.00 C ATOM 1219 C VAL A 63 54.580 3.528 18.551 1.00 0.00 C ATOM 1220 O VAL A 63 54.496 4.753 18.687 1.00 0.00 O ATOM 1221 CB VAL A 63 52.818 2.035 17.561 1.00 0.00 C ATOM 1222 CG1 VAL A 63 51.767 0.969 17.844 1.00 0.00 C ATOM 1223 CG2 VAL A 63 52.241 3.131 16.682 1.00 0.00 C ATOM 0 H VAL A 63 52.313 4.350 19.352 1.00 0.00 H new ATOM 0 HA VAL A 63 53.715 1.792 19.510 1.00 0.00 H new ATOM 0 HB VAL A 63 53.641 1.563 17.025 1.00 0.00 H new ATOM 0 HG11 VAL A 63 51.383 0.577 16.902 1.00 0.00 H new ATOM 0 HG12 VAL A 63 52.216 0.159 18.418 1.00 0.00 H new ATOM 0 HG13 VAL A 63 50.948 1.408 18.415 1.00 0.00 H new ATOM 0 HG21 VAL A 63 51.844 2.692 15.767 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.440 3.642 17.216 1.00 0.00 H new ATOM 0 HG23 VAL A 63 53.024 3.847 16.432 1.00 0.00 H new ATOM 1233 N GLY A 64 55.678 2.931 18.157 1.00 0.00 N ATOM 1234 CA GLY A 64 56.842 3.697 17.794 1.00 0.00 C ATOM 1235 C GLY A 64 57.507 3.140 16.563 1.00 0.00 C ATOM 1236 O GLY A 64 56.796 2.568 15.711 1.00 0.00 O ATOM 1237 OXT GLY A 64 58.734 3.265 16.436 1.00 0.00 O ATOM 0 H GLY A 64 55.789 1.920 18.080 1.00 0.00 H new ATOM 0 HA2 GLY A 64 56.556 4.734 17.617 1.00 0.00 H new ATOM 0 HA3 GLY A 64 57.551 3.699 18.622 1.00 0.00 H new TER 1241 GLY A 64