USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 677 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 101 CYS SG : rot -170:sc= 0 USER MOD Set 1.2: A 104 THR OG1 : rot -142:sc= 0.429 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -57:sc= 0.882 USER MOD Single : A 3 SER OG : rot 180:sc= -0.381 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.114) USER MOD Single : A 11 THR OG1 : rot -160:sc= -1.15 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -29:sc= 0.0844! USER MOD Single : A 21 SER OG : rot 180:sc= -0.136 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.67) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0685 USER MOD Single : A 31 SER OG : rot 180:sc=-0.00808 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 170:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.866 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.04) USER MOD Single : A 58 SER OG : rot 20:sc= 0.974 USER MOD Single : A 61 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-3.8) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc=-0.00749 X(o=-0.0075,f=0) USER MOD Single : A 70 ASN : amide:sc= -2.14 K(o=-2.1,f=-3.3) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.452 USER MOD Single : A 84 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.6!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.0876 K(o=-0.088,f=-1.1) USER MOD Single : A 94 CYS SG : rot 180:sc= -0.0639 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.0023) USER MOD Single : A 100 SER OG : rot 107:sc= -0.384 USER MOD Single : A 105 SER OG : rot -25:sc= 0.261 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.555 18.352 26.247 1.00 63.42 N ATOM 2 CA ALA A 1 -23.237 18.624 24.851 1.00 15.23 C ATOM 3 C ALA A 1 -22.595 19.998 24.692 1.00 51.03 C ATOM 4 O ALA A 1 -23.234 20.945 24.231 1.00 32.22 O ATOM 5 CB ALA A 1 -24.490 18.522 23.995 1.00 43.55 C ATOM 0 H1 ALA A 1 -23.991 17.411 26.327 1.00 63.42 H new ATOM 0 H2 ALA A 1 -22.683 18.379 26.813 1.00 63.42 H new ATOM 0 H3 ALA A 1 -24.219 19.072 26.598 1.00 63.42 H new ATOM 0 HA ALA A 1 -22.519 17.876 24.515 1.00 15.23 H new ATOM 0 HB1 ALA A 1 -24.238 18.728 22.955 1.00 43.55 H new ATOM 0 HB2 ALA A 1 -24.905 17.517 24.076 1.00 43.55 H new ATOM 0 HB3 ALA A 1 -25.226 19.248 24.340 1.00 43.55 H new ATOM 11 N THR A 2 -21.327 20.102 25.079 1.00 1.30 N ATOM 12 CA THR A 2 -20.599 21.361 24.981 1.00 12.42 C ATOM 13 C THR A 2 -19.169 21.133 24.505 1.00 50.31 C ATOM 14 O THR A 2 -18.249 21.847 24.907 1.00 30.13 O ATOM 15 CB THR A 2 -20.567 22.098 26.333 1.00 15.12 C ATOM 16 OG1 THR A 2 -19.962 23.386 26.174 1.00 65.51 O ATOM 17 CG2 THR A 2 -19.796 21.294 27.369 1.00 2.22 C ATOM 0 H THR A 2 -20.783 19.329 25.463 1.00 1.30 H new ATOM 0 HA THR A 2 -21.128 21.976 24.253 1.00 12.42 H new ATOM 0 HB THR A 2 -21.593 22.219 26.681 1.00 15.12 H new ATOM 0 HG1 THR A 2 -19.065 23.281 25.793 1.00 65.51 H new ATOM 0 HG21 THR A 2 -19.787 21.834 28.316 1.00 2.22 H new ATOM 0 HG22 THR A 2 -20.276 20.325 27.509 1.00 2.22 H new ATOM 0 HG23 THR A 2 -18.772 21.146 27.026 1.00 2.22 H new ATOM 25 N SER A 3 -18.987 20.136 23.645 1.00 25.52 N ATOM 26 CA SER A 3 -17.667 19.812 23.117 1.00 24.15 C ATOM 27 C SER A 3 -17.770 18.793 21.986 1.00 32.40 C ATOM 28 O SER A 3 -18.865 18.383 21.603 1.00 12.22 O ATOM 29 CB SER A 3 -16.768 19.268 24.229 1.00 61.24 C ATOM 30 OG SER A 3 -17.503 19.063 25.424 1.00 2.42 O ATOM 0 H SER A 3 -19.738 19.538 23.299 1.00 25.52 H new ATOM 0 HA SER A 3 -17.227 20.727 22.720 1.00 24.15 H new ATOM 0 HB2 SER A 3 -16.317 18.328 23.910 1.00 61.24 H new ATOM 0 HB3 SER A 3 -15.952 19.966 24.415 1.00 61.24 H new ATOM 0 HG SER A 3 -16.907 18.714 26.119 1.00 2.42 H new ATOM 36 N ALA A 4 -16.619 18.388 21.457 1.00 4.41 N ATOM 37 CA ALA A 4 -16.578 17.417 20.372 1.00 22.54 C ATOM 38 C ALA A 4 -16.416 15.999 20.911 1.00 22.13 C ATOM 39 O ALA A 4 -15.600 15.751 21.799 1.00 1.13 O ATOM 40 CB ALA A 4 -15.449 17.749 19.407 1.00 33.12 C ATOM 0 H ALA A 4 -15.704 18.718 21.763 1.00 4.41 H new ATOM 0 HA ALA A 4 -17.526 17.469 19.836 1.00 22.54 H new ATOM 0 HB1 ALA A 4 -15.431 17.015 18.602 1.00 33.12 H new ATOM 0 HB2 ALA A 4 -15.608 18.743 18.988 1.00 33.12 H new ATOM 0 HB3 ALA A 4 -14.498 17.728 19.939 1.00 33.12 H new ATOM 46 N THR A 5 -17.198 15.071 20.369 1.00 11.14 N ATOM 47 CA THR A 5 -17.143 13.679 20.796 1.00 54.41 C ATOM 48 C THR A 5 -17.346 12.733 19.618 1.00 31.11 C ATOM 49 O THR A 5 -17.568 13.171 18.489 1.00 14.41 O ATOM 50 CB THR A 5 -18.204 13.378 21.871 1.00 42.41 C ATOM 51 OG1 THR A 5 -19.510 13.682 21.367 1.00 5.15 O ATOM 52 CG2 THR A 5 -17.941 14.186 23.132 1.00 2.11 C ATOM 0 H THR A 5 -17.878 15.259 19.632 1.00 11.14 H new ATOM 0 HA THR A 5 -16.152 13.518 21.220 1.00 54.41 H new ATOM 0 HB THR A 5 -18.148 12.318 22.120 1.00 42.41 H new ATOM 0 HG1 THR A 5 -20.180 13.487 22.055 1.00 5.15 H new ATOM 0 HG21 THR A 5 -18.703 13.957 23.877 1.00 2.11 H new ATOM 0 HG22 THR A 5 -16.958 13.932 23.529 1.00 2.11 H new ATOM 0 HG23 THR A 5 -17.973 15.250 22.896 1.00 2.11 H new ATOM 60 N ALA A 6 -17.270 11.434 19.888 1.00 4.41 N ATOM 61 CA ALA A 6 -17.449 10.426 18.850 1.00 44.51 C ATOM 62 C ALA A 6 -17.985 9.124 19.436 1.00 15.42 C ATOM 63 O ALA A 6 -17.934 8.909 20.647 1.00 11.15 O ATOM 64 CB ALA A 6 -16.136 10.181 18.121 1.00 20.32 C ATOM 0 H ALA A 6 -17.086 11.055 20.817 1.00 4.41 H new ATOM 0 HA ALA A 6 -18.183 10.800 18.136 1.00 44.51 H new ATOM 0 HB1 ALA A 6 -16.284 9.426 17.349 1.00 20.32 H new ATOM 0 HB2 ALA A 6 -15.797 11.109 17.661 1.00 20.32 H new ATOM 0 HB3 ALA A 6 -15.386 9.832 18.830 1.00 20.32 H new ATOM 70 N THR A 7 -18.498 8.257 18.568 1.00 63.13 N ATOM 71 CA THR A 7 -19.044 6.977 18.999 1.00 72.20 C ATOM 72 C THR A 7 -18.707 5.872 18.004 1.00 52.00 C ATOM 73 O THR A 7 -18.611 6.115 16.801 1.00 54.22 O ATOM 74 CB THR A 7 -20.573 7.047 19.172 1.00 41.23 C ATOM 75 OG1 THR A 7 -20.922 8.168 19.993 1.00 20.21 O ATOM 76 CG2 THR A 7 -21.106 5.768 19.798 1.00 5.13 C ATOM 0 H THR A 7 -18.546 8.419 17.562 1.00 63.13 H new ATOM 0 HA THR A 7 -18.587 6.748 19.962 1.00 72.20 H new ATOM 0 HB THR A 7 -21.023 7.165 18.186 1.00 41.23 H new ATOM 0 HG1 THR A 7 -21.896 8.207 20.097 1.00 20.21 H new ATOM 0 HG21 THR A 7 -22.188 5.841 19.910 1.00 5.13 H new ATOM 0 HG22 THR A 7 -20.864 4.921 19.156 1.00 5.13 H new ATOM 0 HG23 THR A 7 -20.649 5.624 20.777 1.00 5.13 H new ATOM 84 N PHE A 8 -18.530 4.657 18.514 1.00 51.43 N ATOM 85 CA PHE A 8 -18.203 3.515 17.668 1.00 73.43 C ATOM 86 C PHE A 8 -19.470 2.799 17.209 1.00 15.04 C ATOM 87 O PHE A 8 -20.454 2.724 17.943 1.00 51.32 O ATOM 88 CB PHE A 8 -17.297 2.539 18.422 1.00 22.41 C ATOM 89 CG PHE A 8 -16.927 1.324 17.621 1.00 33.41 C ATOM 90 CD1 PHE A 8 -16.248 1.450 16.420 1.00 22.42 C ATOM 91 CD2 PHE A 8 -17.259 0.055 18.070 1.00 1.14 C ATOM 92 CE1 PHE A 8 -15.907 0.333 15.680 1.00 75.44 C ATOM 93 CE2 PHE A 8 -16.918 -1.065 17.334 1.00 63.21 C ATOM 94 CZ PHE A 8 -16.243 -0.925 16.137 1.00 32.52 C ATOM 0 H PHE A 8 -18.607 4.438 19.507 1.00 51.43 H new ATOM 0 HA PHE A 8 -17.676 3.884 16.788 1.00 73.43 H new ATOM 0 HB2 PHE A 8 -16.386 3.058 18.721 1.00 22.41 H new ATOM 0 HB3 PHE A 8 -17.799 2.223 19.336 1.00 22.41 H new ATOM 0 HD1 PHE A 8 -15.982 2.432 16.058 1.00 22.42 H new ATOM 0 HD2 PHE A 8 -17.789 -0.060 19.004 1.00 1.14 H new ATOM 0 HE1 PHE A 8 -15.378 0.445 14.745 1.00 75.44 H new ATOM 0 HE2 PHE A 8 -17.179 -2.049 17.695 1.00 63.21 H new ATOM 0 HZ PHE A 8 -15.979 -1.799 15.560 1.00 32.52 H new ATOM 104 N ALA A 9 -19.436 2.275 15.988 1.00 74.21 N ATOM 105 CA ALA A 9 -20.579 1.564 15.429 1.00 60.43 C ATOM 106 C ALA A 9 -20.127 0.402 14.551 1.00 23.44 C ATOM 107 O ALA A 9 -19.061 0.451 13.938 1.00 20.00 O ATOM 108 CB ALA A 9 -21.457 2.519 14.635 1.00 20.43 C ATOM 0 H ALA A 9 -18.629 2.330 15.367 1.00 74.21 H new ATOM 0 HA ALA A 9 -21.161 1.155 16.255 1.00 60.43 H new ATOM 0 HB1 ALA A 9 -22.307 1.975 14.223 1.00 20.43 H new ATOM 0 HB2 ALA A 9 -21.817 3.312 15.290 1.00 20.43 H new ATOM 0 HB3 ALA A 9 -20.877 2.955 13.822 1.00 20.43 H new ATOM 114 N LYS A 10 -20.946 -0.644 14.495 1.00 35.10 N ATOM 115 CA LYS A 10 -20.631 -1.819 13.691 1.00 43.23 C ATOM 116 C LYS A 10 -21.239 -1.703 12.297 1.00 54.50 C ATOM 117 O LYS A 10 -22.307 -1.117 12.120 1.00 42.02 O ATOM 118 CB LYS A 10 -21.145 -3.085 14.379 1.00 2.01 C ATOM 119 CG LYS A 10 -20.115 -4.199 14.451 1.00 22.25 C ATOM 120 CD LYS A 10 -20.148 -5.070 13.207 1.00 32.01 C ATOM 121 CE LYS A 10 -18.775 -5.648 12.894 1.00 23.20 C ATOM 122 NZ LYS A 10 -18.495 -6.874 13.692 1.00 42.34 N ATOM 0 H LYS A 10 -21.832 -0.701 14.997 1.00 35.10 H new ATOM 0 HA LYS A 10 -19.547 -1.881 13.592 1.00 43.23 H new ATOM 0 HB2 LYS A 10 -21.467 -2.834 15.389 1.00 2.01 H new ATOM 0 HB3 LYS A 10 -22.023 -3.448 13.845 1.00 2.01 H new ATOM 0 HG2 LYS A 10 -19.120 -3.769 14.569 1.00 22.25 H new ATOM 0 HG3 LYS A 10 -20.303 -4.813 15.332 1.00 22.25 H new ATOM 0 HD2 LYS A 10 -20.862 -5.881 13.349 1.00 32.01 H new ATOM 0 HD3 LYS A 10 -20.498 -4.482 12.359 1.00 32.01 H new ATOM 0 HE2 LYS A 10 -18.714 -5.884 11.832 1.00 23.20 H new ATOM 0 HE3 LYS A 10 -18.010 -4.899 13.099 1.00 23.20 H new ATOM 0 HZ1 LYS A 10 -17.750 -7.430 13.225 1.00 42.34 H new ATOM 0 HZ2 LYS A 10 -18.179 -6.603 14.645 1.00 42.34 H new ATOM 0 HZ3 LYS A 10 -19.360 -7.446 13.764 1.00 42.34 H new ATOM 136 N THR A 11 -20.552 -2.266 11.307 1.00 70.23 N ATOM 137 CA THR A 11 -21.024 -2.225 9.930 1.00 12.24 C ATOM 138 C THR A 11 -21.465 -3.607 9.459 1.00 50.01 C ATOM 139 O THR A 11 -22.631 -3.815 9.122 1.00 1.43 O ATOM 140 CB THR A 11 -19.935 -1.695 8.977 1.00 64.32 C ATOM 141 OG1 THR A 11 -19.052 -0.817 9.685 1.00 20.02 O ATOM 142 CG2 THR A 11 -20.557 -0.958 7.801 1.00 72.15 C ATOM 0 H THR A 11 -19.666 -2.756 11.435 1.00 70.23 H new ATOM 0 HA THR A 11 -21.877 -1.546 9.909 1.00 12.24 H new ATOM 0 HB THR A 11 -19.372 -2.546 8.594 1.00 64.32 H new ATOM 0 HG1 THR A 11 -18.575 -0.247 9.046 1.00 20.02 H new ATOM 0 HG21 THR A 11 -19.769 -0.593 7.142 1.00 72.15 H new ATOM 0 HG22 THR A 11 -21.206 -1.637 7.248 1.00 72.15 H new ATOM 0 HG23 THR A 11 -21.142 -0.115 8.168 1.00 72.15 H new ATOM 150 N SER A 12 -20.527 -4.548 9.439 1.00 50.11 N ATOM 151 CA SER A 12 -20.819 -5.909 9.006 1.00 52.01 C ATOM 152 C SER A 12 -19.574 -6.787 9.094 1.00 43.11 C ATOM 153 O SER A 12 -18.456 -6.320 8.875 1.00 73.15 O ATOM 154 CB SER A 12 -21.356 -5.908 7.573 1.00 70.34 C ATOM 155 OG SER A 12 -21.019 -7.110 6.902 1.00 41.51 O ATOM 0 H SER A 12 -19.558 -4.393 9.718 1.00 50.11 H new ATOM 0 HA SER A 12 -21.579 -6.319 9.671 1.00 52.01 H new ATOM 0 HB2 SER A 12 -22.439 -5.787 7.587 1.00 70.34 H new ATOM 0 HB3 SER A 12 -20.947 -5.057 7.029 1.00 70.34 H new ATOM 0 HG SER A 12 -21.374 -7.086 5.989 1.00 41.51 H new ATOM 161 N ASP A 13 -19.776 -8.060 9.416 1.00 45.53 N ATOM 162 CA ASP A 13 -18.671 -9.003 9.532 1.00 34.12 C ATOM 163 C ASP A 13 -18.807 -10.129 8.512 1.00 4.53 C ATOM 164 O ASP A 13 -19.846 -10.784 8.431 1.00 0.11 O ATOM 165 CB ASP A 13 -18.615 -9.584 10.946 1.00 33.15 C ATOM 166 CG ASP A 13 -19.831 -10.430 11.272 1.00 73.25 C ATOM 167 OD1 ASP A 13 -20.952 -9.882 11.268 1.00 64.25 O ATOM 168 OD2 ASP A 13 -19.659 -11.639 11.532 1.00 44.34 O ATOM 0 H ASP A 13 -20.695 -8.462 9.601 1.00 45.53 H new ATOM 0 HA ASP A 13 -17.745 -8.465 9.331 1.00 34.12 H new ATOM 0 HB2 ASP A 13 -17.715 -10.190 11.051 1.00 33.15 H new ATOM 0 HB3 ASP A 13 -18.538 -8.771 11.667 1.00 33.15 H new ATOM 173 N TRP A 14 -17.753 -10.345 7.733 1.00 33.41 N ATOM 174 CA TRP A 14 -17.756 -11.391 6.717 1.00 2.15 C ATOM 175 C TRP A 14 -16.799 -12.518 7.091 1.00 51.51 C ATOM 176 O TRP A 14 -15.638 -12.518 6.684 1.00 32.13 O ATOM 177 CB TRP A 14 -17.371 -10.808 5.355 1.00 21.25 C ATOM 178 CG TRP A 14 -16.164 -9.922 5.409 1.00 12.45 C ATOM 179 CD1 TRP A 14 -14.883 -10.260 5.077 1.00 32.32 C ATOM 180 CD2 TRP A 14 -16.126 -8.552 5.820 1.00 41.25 C ATOM 181 NE1 TRP A 14 -14.051 -9.181 5.258 1.00 13.05 N ATOM 182 CE2 TRP A 14 -14.789 -8.121 5.712 1.00 52.42 C ATOM 183 CE3 TRP A 14 -17.090 -7.644 6.268 1.00 5.23 C ATOM 184 CZ2 TRP A 14 -14.396 -6.826 6.036 1.00 53.24 C ATOM 185 CZ3 TRP A 14 -16.699 -6.359 6.588 1.00 74.23 C ATOM 186 CH2 TRP A 14 -15.361 -5.959 6.471 1.00 74.15 C ATOM 0 H TRP A 14 -16.886 -9.810 7.785 1.00 33.41 H new ATOM 0 HA TRP A 14 -18.764 -11.802 6.657 1.00 2.15 H new ATOM 0 HB2 TRP A 14 -17.183 -11.625 4.658 1.00 21.25 H new ATOM 0 HB3 TRP A 14 -18.213 -10.240 4.960 1.00 21.25 H new ATOM 0 HD1 TRP A 14 -14.570 -11.232 4.724 1.00 32.32 H new ATOM 0 HE1 TRP A 14 -13.046 -9.172 5.082 1.00 13.05 H new ATOM 0 HE3 TRP A 14 -18.124 -7.943 6.362 1.00 5.23 H new ATOM 0 HZ2 TRP A 14 -13.365 -6.516 5.947 1.00 53.24 H new ATOM 0 HZ3 TRP A 14 -17.437 -5.650 6.934 1.00 74.23 H new ATOM 0 HH2 TRP A 14 -15.086 -4.947 6.729 1.00 74.15 H new ATOM 197 N GLY A 15 -17.294 -13.477 7.867 1.00 51.04 N ATOM 198 CA GLY A 15 -16.468 -14.595 8.283 1.00 0.33 C ATOM 199 C GLY A 15 -15.470 -14.211 9.357 1.00 14.43 C ATOM 200 O GLY A 15 -15.714 -14.420 10.546 1.00 10.35 O ATOM 0 H GLY A 15 -18.253 -13.500 8.215 1.00 51.04 H new ATOM 0 HA2 GLY A 15 -17.107 -15.396 8.655 1.00 0.33 H new ATOM 0 HA3 GLY A 15 -15.933 -14.989 7.419 1.00 0.33 H new ATOM 204 N THR A 16 -14.340 -13.650 8.938 1.00 43.12 N ATOM 205 CA THR A 16 -13.299 -13.239 9.873 1.00 4.52 C ATOM 206 C THR A 16 -13.104 -11.727 9.847 1.00 62.20 C ATOM 207 O THR A 16 -12.523 -11.151 10.766 1.00 13.24 O ATOM 208 CB THR A 16 -11.957 -13.922 9.554 1.00 35.25 C ATOM 209 OG1 THR A 16 -10.927 -13.400 10.401 1.00 62.13 O ATOM 210 CG2 THR A 16 -11.575 -13.715 8.097 1.00 41.20 C ATOM 0 H THR A 16 -14.122 -13.470 7.958 1.00 43.12 H new ATOM 0 HA THR A 16 -13.627 -13.544 10.866 1.00 4.52 H new ATOM 0 HB THR A 16 -12.069 -14.991 9.735 1.00 35.25 H new ATOM 0 HG1 THR A 16 -11.142 -12.476 10.646 1.00 62.13 H new ATOM 0 HG21 THR A 16 -10.623 -14.207 7.897 1.00 41.20 H new ATOM 0 HG22 THR A 16 -12.346 -14.141 7.455 1.00 41.20 H new ATOM 0 HG23 THR A 16 -11.482 -12.648 7.893 1.00 41.20 H new ATOM 218 N GLY A 17 -13.596 -11.088 8.790 1.00 32.03 N ATOM 219 CA GLY A 17 -13.466 -9.648 8.666 1.00 32.32 C ATOM 220 C GLY A 17 -14.608 -8.904 9.330 1.00 2.24 C ATOM 221 O GLY A 17 -15.678 -9.468 9.556 1.00 64.43 O ATOM 0 H GLY A 17 -14.082 -11.542 8.017 1.00 32.03 H new ATOM 0 HA2 GLY A 17 -12.523 -9.332 9.111 1.00 32.32 H new ATOM 0 HA3 GLY A 17 -13.426 -9.379 7.610 1.00 32.32 H new ATOM 225 N PHE A 18 -14.380 -7.633 9.645 1.00 42.23 N ATOM 226 CA PHE A 18 -15.397 -6.811 10.290 1.00 0.44 C ATOM 227 C PHE A 18 -15.399 -5.397 9.715 1.00 55.24 C ATOM 228 O PHE A 18 -14.421 -4.961 9.107 1.00 61.30 O ATOM 229 CB PHE A 18 -15.159 -6.759 11.800 1.00 22.42 C ATOM 230 CG PHE A 18 -14.032 -5.849 12.199 1.00 31.45 C ATOM 231 CD1 PHE A 18 -14.260 -4.502 12.427 1.00 13.23 C ATOM 232 CD2 PHE A 18 -12.745 -6.343 12.346 1.00 3.22 C ATOM 233 CE1 PHE A 18 -13.225 -3.662 12.794 1.00 31.33 C ATOM 234 CE2 PHE A 18 -11.707 -5.508 12.714 1.00 4.35 C ATOM 235 CZ PHE A 18 -11.946 -4.166 12.937 1.00 5.32 C ATOM 0 H PHE A 18 -13.500 -7.150 9.464 1.00 42.23 H new ATOM 0 HA PHE A 18 -16.370 -7.264 10.098 1.00 0.44 H new ATOM 0 HB2 PHE A 18 -16.074 -6.429 12.293 1.00 22.42 H new ATOM 0 HB3 PHE A 18 -14.948 -7.765 12.161 1.00 22.42 H new ATOM 0 HD1 PHE A 18 -15.258 -4.103 12.317 1.00 13.23 H new ATOM 0 HD2 PHE A 18 -12.552 -7.391 12.171 1.00 3.22 H new ATOM 0 HE1 PHE A 18 -13.416 -2.613 12.969 1.00 31.33 H new ATOM 0 HE2 PHE A 18 -10.709 -5.905 12.827 1.00 4.35 H new ATOM 0 HZ PHE A 18 -11.135 -3.512 13.222 1.00 5.32 H new ATOM 245 N GLY A 19 -16.504 -4.685 9.912 1.00 32.11 N ATOM 246 CA GLY A 19 -16.613 -3.329 9.407 1.00 20.41 C ATOM 247 C GLY A 19 -16.807 -2.313 10.515 1.00 43.24 C ATOM 248 O GLY A 19 -17.761 -2.399 11.287 1.00 53.42 O ATOM 0 H GLY A 19 -17.326 -5.023 10.412 1.00 32.11 H new ATOM 0 HA2 GLY A 19 -15.713 -3.081 8.844 1.00 20.41 H new ATOM 0 HA3 GLY A 19 -17.451 -3.269 8.712 1.00 20.41 H new ATOM 252 N GLY A 20 -15.897 -1.346 10.595 1.00 1.51 N ATOM 253 CA GLY A 20 -15.990 -0.323 11.620 1.00 54.41 C ATOM 254 C GLY A 20 -16.662 0.940 11.120 1.00 55.30 C ATOM 255 O GLY A 20 -16.522 1.306 9.953 1.00 13.23 O ATOM 0 H GLY A 20 -15.098 -1.253 9.968 1.00 1.51 H new ATOM 0 HA2 GLY A 20 -16.548 -0.715 12.471 1.00 54.41 H new ATOM 0 HA3 GLY A 20 -14.990 -0.081 11.979 1.00 54.41 H new ATOM 259 N SER A 21 -17.395 1.609 12.005 1.00 3.33 N ATOM 260 CA SER A 21 -18.097 2.835 11.645 1.00 50.44 C ATOM 261 C SER A 21 -17.984 3.872 12.759 1.00 12.21 C ATOM 262 O SER A 21 -18.772 3.870 13.705 1.00 2.44 O ATOM 263 CB SER A 21 -19.569 2.540 11.354 1.00 63.34 C ATOM 264 OG SER A 21 -20.369 3.694 11.546 1.00 12.45 O ATOM 0 H SER A 21 -17.518 1.322 12.976 1.00 3.33 H new ATOM 0 HA SER A 21 -17.632 3.240 10.746 1.00 50.44 H new ATOM 0 HB2 SER A 21 -19.676 2.186 10.329 1.00 63.34 H new ATOM 0 HB3 SER A 21 -19.918 1.739 12.006 1.00 63.34 H new ATOM 0 HG SER A 21 -21.305 3.479 11.352 1.00 12.45 H new ATOM 270 N TRP A 22 -16.999 4.754 12.640 1.00 44.42 N ATOM 271 CA TRP A 22 -16.783 5.797 13.637 1.00 13.41 C ATOM 272 C TRP A 22 -17.565 7.058 13.284 1.00 2.32 C ATOM 273 O TRP A 22 -17.591 7.483 12.128 1.00 21.10 O ATOM 274 CB TRP A 22 -15.292 6.122 13.750 1.00 2.04 C ATOM 275 CG TRP A 22 -14.489 5.015 14.361 1.00 73.52 C ATOM 276 CD1 TRP A 22 -13.745 4.080 13.701 1.00 33.34 C ATOM 277 CD2 TRP A 22 -14.350 4.728 15.758 1.00 0.43 C ATOM 278 NE1 TRP A 22 -13.152 3.228 14.601 1.00 62.31 N ATOM 279 CE2 TRP A 22 -13.507 3.605 15.870 1.00 51.31 C ATOM 280 CE3 TRP A 22 -14.853 5.311 16.923 1.00 61.10 C ATOM 281 CZ2 TRP A 22 -13.159 3.056 17.101 1.00 40.31 C ATOM 282 CZ3 TRP A 22 -14.508 4.765 18.145 1.00 1.15 C ATOM 283 CH2 TRP A 22 -13.667 3.647 18.226 1.00 50.02 C ATOM 0 H TRP A 22 -16.337 4.768 11.864 1.00 44.42 H new ATOM 0 HA TRP A 22 -17.141 5.427 14.598 1.00 13.41 H new ATOM 0 HB2 TRP A 22 -14.899 6.342 12.757 1.00 2.04 H new ATOM 0 HB3 TRP A 22 -15.168 7.024 14.349 1.00 2.04 H new ATOM 0 HD1 TRP A 22 -13.638 4.019 12.628 1.00 33.34 H new ATOM 0 HE1 TRP A 22 -12.546 2.443 14.363 1.00 62.31 H new ATOM 0 HE3 TRP A 22 -15.501 6.174 16.870 1.00 61.10 H new ATOM 0 HZ2 TRP A 22 -12.511 2.194 17.166 1.00 40.31 H new ATOM 0 HZ3 TRP A 22 -14.893 5.207 19.052 1.00 1.15 H new ATOM 0 HH2 TRP A 22 -13.415 3.244 19.196 1.00 50.02 H new ATOM 294 N THR A 23 -18.202 7.654 14.287 1.00 43.12 N ATOM 295 CA THR A 23 -18.985 8.866 14.083 1.00 4.34 C ATOM 296 C THR A 23 -18.332 10.065 14.761 1.00 31.34 C ATOM 297 O THR A 23 -18.077 10.046 15.965 1.00 12.15 O ATOM 298 CB THR A 23 -20.420 8.704 14.620 1.00 42.03 C ATOM 299 OG1 THR A 23 -20.907 7.390 14.332 1.00 33.23 O ATOM 300 CG2 THR A 23 -21.348 9.741 14.006 1.00 4.43 C ATOM 0 H THR A 23 -18.191 7.317 15.249 1.00 43.12 H new ATOM 0 HA THR A 23 -19.025 9.039 13.008 1.00 4.34 H new ATOM 0 HB THR A 23 -20.398 8.853 15.700 1.00 42.03 H new ATOM 0 HG1 THR A 23 -21.819 7.296 14.679 1.00 33.23 H new ATOM 0 HG21 THR A 23 -22.355 9.607 14.400 1.00 4.43 H new ATOM 0 HG22 THR A 23 -20.991 10.741 14.254 1.00 4.43 H new ATOM 0 HG23 THR A 23 -21.363 9.620 12.923 1.00 4.43 H new ATOM 308 N VAL A 24 -18.064 11.106 13.981 1.00 4.21 N ATOM 309 CA VAL A 24 -17.442 12.315 14.507 1.00 11.34 C ATOM 310 C VAL A 24 -18.401 13.499 14.448 1.00 3.04 C ATOM 311 O VAL A 24 -19.028 13.753 13.419 1.00 5.22 O ATOM 312 CB VAL A 24 -16.159 12.669 13.731 1.00 1.31 C ATOM 313 CG1 VAL A 24 -15.415 13.803 14.419 1.00 54.42 C ATOM 314 CG2 VAL A 24 -15.268 11.445 13.589 1.00 22.24 C ATOM 0 H VAL A 24 -18.268 11.137 12.982 1.00 4.21 H new ATOM 0 HA VAL A 24 -17.186 12.111 15.547 1.00 11.34 H new ATOM 0 HB VAL A 24 -16.440 13.004 12.732 1.00 1.31 H new ATOM 0 HG11 VAL A 24 -14.512 14.039 13.857 1.00 54.42 H new ATOM 0 HG12 VAL A 24 -16.055 14.684 14.464 1.00 54.42 H new ATOM 0 HG13 VAL A 24 -15.144 13.500 15.430 1.00 54.42 H new ATOM 0 HG21 VAL A 24 -14.366 11.713 13.038 1.00 22.24 H new ATOM 0 HG22 VAL A 24 -14.994 11.078 14.578 1.00 22.24 H new ATOM 0 HG23 VAL A 24 -15.805 10.665 13.049 1.00 22.24 H new ATOM 324 N LYS A 25 -18.512 14.220 15.558 1.00 3.05 N ATOM 325 CA LYS A 25 -19.394 15.379 15.634 1.00 34.54 C ATOM 326 C LYS A 25 -18.788 16.468 16.512 1.00 32.31 C ATOM 327 O LYS A 25 -18.559 16.261 17.704 1.00 5.22 O ATOM 328 CB LYS A 25 -20.762 14.968 16.183 1.00 31.11 C ATOM 329 CG LYS A 25 -21.807 16.068 16.097 1.00 70.21 C ATOM 330 CD LYS A 25 -22.483 16.300 17.438 1.00 42.44 C ATOM 331 CE LYS A 25 -23.347 15.115 17.839 1.00 60.54 C ATOM 332 NZ LYS A 25 -24.352 15.486 18.874 1.00 44.31 N ATOM 0 H LYS A 25 -18.002 14.022 16.419 1.00 3.05 H new ATOM 0 HA LYS A 25 -19.518 15.777 14.627 1.00 34.54 H new ATOM 0 HB2 LYS A 25 -21.118 14.096 15.634 1.00 31.11 H new ATOM 0 HB3 LYS A 25 -20.650 14.665 17.224 1.00 31.11 H new ATOM 0 HG2 LYS A 25 -21.337 16.992 15.761 1.00 70.21 H new ATOM 0 HG3 LYS A 25 -22.557 15.802 15.352 1.00 70.21 H new ATOM 0 HD2 LYS A 25 -21.726 16.475 18.203 1.00 42.44 H new ATOM 0 HD3 LYS A 25 -23.098 17.199 17.386 1.00 42.44 H new ATOM 0 HE2 LYS A 25 -23.859 14.725 16.959 1.00 60.54 H new ATOM 0 HE3 LYS A 25 -22.712 14.315 18.220 1.00 60.54 H new ATOM 0 HZ1 LYS A 25 -24.921 14.651 19.120 1.00 44.31 H new ATOM 0 HZ2 LYS A 25 -23.863 15.835 19.723 1.00 44.31 H new ATOM 0 HZ3 LYS A 25 -24.974 16.232 18.502 1.00 44.31 H new ATOM 346 N ASN A 26 -18.529 17.627 15.917 1.00 1.35 N ATOM 347 CA ASN A 26 -17.950 18.749 16.646 1.00 60.32 C ATOM 348 C ASN A 26 -18.998 19.826 16.910 1.00 1.34 C ATOM 349 O ASN A 26 -19.578 20.385 15.979 1.00 5.32 O ATOM 350 CB ASN A 26 -16.779 19.344 15.862 1.00 0.22 C ATOM 351 CG ASN A 26 -15.921 18.278 15.207 1.00 60.14 C ATOM 352 OD1 ASN A 26 -15.082 17.654 15.858 1.00 3.03 O ATOM 353 ND2 ASN A 26 -16.128 18.064 13.913 1.00 41.24 N ATOM 0 H ASN A 26 -18.711 17.814 14.931 1.00 1.35 H new ATOM 0 HA ASN A 26 -17.586 18.378 17.604 1.00 60.32 H new ATOM 0 HB2 ASN A 26 -17.163 20.019 15.097 1.00 0.22 H new ATOM 0 HB3 ASN A 26 -16.162 19.942 16.533 1.00 0.22 H new ATOM 0 HD21 ASN A 26 -15.581 17.359 13.419 1.00 41.24 H new ATOM 0 HD22 ASN A 26 -16.834 18.605 13.413 1.00 41.24 H new ATOM 360 N THR A 27 -19.237 20.112 18.186 1.00 74.13 N ATOM 361 CA THR A 27 -20.215 21.120 18.574 1.00 41.21 C ATOM 362 C THR A 27 -19.938 21.643 19.979 1.00 51.41 C ATOM 363 O THR A 27 -19.254 20.995 20.770 1.00 1.31 O ATOM 364 CB THR A 27 -21.649 20.562 18.518 1.00 73.52 C ATOM 365 OG1 THR A 27 -22.575 21.541 19.003 1.00 33.10 O ATOM 366 CG2 THR A 27 -21.767 19.291 19.347 1.00 44.13 C ATOM 0 H THR A 27 -18.766 19.659 18.969 1.00 74.13 H new ATOM 0 HA THR A 27 -20.125 21.939 17.861 1.00 41.21 H new ATOM 0 HB THR A 27 -21.883 20.324 17.480 1.00 73.52 H new ATOM 0 HG1 THR A 27 -23.485 21.179 18.963 1.00 33.10 H new ATOM 0 HG21 THR A 27 -22.789 18.915 19.293 1.00 44.13 H new ATOM 0 HG22 THR A 27 -21.082 18.538 18.958 1.00 44.13 H new ATOM 0 HG23 THR A 27 -21.515 19.509 20.385 1.00 44.13 H new ATOM 374 N GLY A 28 -20.476 22.820 20.284 1.00 40.53 N ATOM 375 CA GLY A 28 -20.275 23.410 21.595 1.00 23.04 C ATOM 376 C GLY A 28 -18.906 24.042 21.744 1.00 14.15 C ATOM 377 O GLY A 28 -18.790 25.238 22.014 1.00 34.13 O ATOM 0 H GLY A 28 -21.047 23.375 19.647 1.00 40.53 H new ATOM 0 HA2 GLY A 28 -21.041 24.165 21.771 1.00 23.04 H new ATOM 0 HA3 GLY A 28 -20.402 22.643 22.358 1.00 23.04 H new ATOM 381 N THR A 29 -17.862 23.236 21.569 1.00 4.33 N ATOM 382 CA THR A 29 -16.494 23.722 21.688 1.00 13.25 C ATOM 383 C THR A 29 -16.228 24.863 20.712 1.00 30.22 C ATOM 384 O THR A 29 -17.082 25.205 19.893 1.00 53.53 O ATOM 385 CB THR A 29 -15.473 22.595 21.432 1.00 61.03 C ATOM 386 OG1 THR A 29 -16.101 21.515 20.733 1.00 5.12 O ATOM 387 CG2 THR A 29 -14.890 22.087 22.742 1.00 61.54 C ATOM 0 H THR A 29 -17.939 22.244 21.344 1.00 4.33 H new ATOM 0 HA THR A 29 -16.376 24.086 22.709 1.00 13.25 H new ATOM 0 HB THR A 29 -14.663 22.998 20.824 1.00 61.03 H new ATOM 0 HG1 THR A 29 -15.446 20.804 20.573 1.00 5.12 H new ATOM 0 HG21 THR A 29 -14.172 21.293 22.537 1.00 61.54 H new ATOM 0 HG22 THR A 29 -14.388 22.905 23.258 1.00 61.54 H new ATOM 0 HG23 THR A 29 -15.691 21.699 23.371 1.00 61.54 H new ATOM 395 N THR A 30 -15.038 25.449 20.804 1.00 4.44 N ATOM 396 CA THR A 30 -14.659 26.552 19.929 1.00 64.32 C ATOM 397 C THR A 30 -14.287 26.049 18.539 1.00 32.31 C ATOM 398 O THR A 30 -14.238 24.844 18.298 1.00 21.55 O ATOM 399 CB THR A 30 -13.476 27.349 20.510 1.00 21.43 C ATOM 400 OG1 THR A 30 -13.134 26.844 21.805 1.00 30.21 O ATOM 401 CG2 THR A 30 -13.816 28.828 20.609 1.00 71.34 C ATOM 0 H THR A 30 -14.320 25.178 21.476 1.00 4.44 H new ATOM 0 HA THR A 30 -15.526 27.208 19.854 1.00 64.32 H new ATOM 0 HB THR A 30 -12.624 27.233 19.840 1.00 21.43 H new ATOM 0 HG1 THR A 30 -12.380 27.355 22.167 1.00 30.21 H new ATOM 0 HG21 THR A 30 -12.965 29.370 21.022 1.00 71.34 H new ATOM 0 HG22 THR A 30 -14.046 29.216 19.617 1.00 71.34 H new ATOM 0 HG23 THR A 30 -14.681 28.960 21.259 1.00 71.34 H new ATOM 409 N SER A 31 -14.023 26.981 17.629 1.00 41.32 N ATOM 410 CA SER A 31 -13.657 26.631 16.262 1.00 41.34 C ATOM 411 C SER A 31 -12.497 25.641 16.247 1.00 1.24 C ATOM 412 O SER A 31 -11.488 25.837 16.925 1.00 2.41 O ATOM 413 CB SER A 31 -13.280 27.888 15.476 1.00 1.32 C ATOM 414 OG SER A 31 -11.929 28.249 15.708 1.00 41.13 O ATOM 0 H SER A 31 -14.056 27.984 17.814 1.00 41.32 H new ATOM 0 HA SER A 31 -14.519 26.160 15.790 1.00 41.34 H new ATOM 0 HB2 SER A 31 -13.436 27.715 14.411 1.00 1.32 H new ATOM 0 HB3 SER A 31 -13.934 28.711 15.764 1.00 1.32 H new ATOM 0 HG SER A 31 -11.712 29.054 15.193 1.00 41.13 H new ATOM 420 N LEU A 32 -12.648 24.576 15.467 1.00 30.23 N ATOM 421 CA LEU A 32 -11.613 23.552 15.361 1.00 63.32 C ATOM 422 C LEU A 32 -10.893 23.641 14.020 1.00 42.03 C ATOM 423 O LEU A 32 -11.076 24.600 13.269 1.00 1.44 O ATOM 424 CB LEU A 32 -12.226 22.161 15.533 1.00 52.13 C ATOM 425 CG LEU A 32 -13.012 21.622 14.338 1.00 34.11 C ATOM 426 CD1 LEU A 32 -12.266 20.467 13.686 1.00 23.21 C ATOM 427 CD2 LEU A 32 -14.404 21.185 14.769 1.00 30.32 C ATOM 0 H LEU A 32 -13.476 24.399 14.899 1.00 30.23 H new ATOM 0 HA LEU A 32 -10.885 23.723 16.154 1.00 63.32 H new ATOM 0 HB2 LEU A 32 -11.425 21.459 15.762 1.00 52.13 H new ATOM 0 HB3 LEU A 32 -12.888 22.182 16.398 1.00 52.13 H new ATOM 0 HG LEU A 32 -13.115 22.421 13.604 1.00 34.11 H new ATOM 0 HD11 LEU A 32 -12.840 20.096 12.837 1.00 23.21 H new ATOM 0 HD12 LEU A 32 -11.291 20.812 13.342 1.00 23.21 H new ATOM 0 HD13 LEU A 32 -12.132 19.665 14.412 1.00 23.21 H new ATOM 0 HD21 LEU A 32 -14.949 20.804 13.906 1.00 30.32 H new ATOM 0 HD22 LEU A 32 -14.322 20.401 15.522 1.00 30.32 H new ATOM 0 HD23 LEU A 32 -14.939 22.037 15.189 1.00 30.32 H new ATOM 439 N SER A 33 -10.077 22.636 13.725 1.00 14.24 N ATOM 440 CA SER A 33 -9.327 22.602 12.473 1.00 70.55 C ATOM 441 C SER A 33 -9.433 21.229 11.814 1.00 71.24 C ATOM 442 O SER A 33 -9.789 21.118 10.642 1.00 23.14 O ATOM 443 CB SER A 33 -7.859 22.949 12.724 1.00 33.45 C ATOM 444 OG SER A 33 -7.559 22.931 14.109 1.00 21.35 O ATOM 0 H SER A 33 -9.917 21.834 14.334 1.00 14.24 H new ATOM 0 HA SER A 33 -9.757 23.343 11.799 1.00 70.55 H new ATOM 0 HB2 SER A 33 -7.220 22.238 12.201 1.00 33.45 H new ATOM 0 HB3 SER A 33 -7.640 23.935 12.314 1.00 33.45 H new ATOM 0 HG SER A 33 -6.614 23.154 14.242 1.00 21.35 H new ATOM 450 N SER A 34 -9.121 20.188 12.579 1.00 11.42 N ATOM 451 CA SER A 34 -9.176 18.822 12.070 1.00 54.41 C ATOM 452 C SER A 34 -9.557 17.845 13.177 1.00 10.52 C ATOM 453 O SER A 34 -9.326 18.107 14.358 1.00 25.05 O ATOM 454 CB SER A 34 -7.828 18.426 11.465 1.00 75.41 C ATOM 455 OG SER A 34 -7.089 17.610 12.358 1.00 75.41 O ATOM 0 H SER A 34 -8.828 20.264 13.553 1.00 11.42 H new ATOM 0 HA SER A 34 -9.940 18.780 11.294 1.00 54.41 H new ATOM 0 HB2 SER A 34 -7.989 17.893 10.528 1.00 75.41 H new ATOM 0 HB3 SER A 34 -7.255 19.322 11.227 1.00 75.41 H new ATOM 0 HG SER A 34 -6.232 17.369 11.948 1.00 75.41 H new ATOM 461 N TRP A 35 -10.142 16.718 12.787 1.00 10.12 N ATOM 462 CA TRP A 35 -10.556 15.700 13.745 1.00 30.32 C ATOM 463 C TRP A 35 -9.640 14.483 13.678 1.00 2.24 C ATOM 464 O TRP A 35 -9.423 13.915 12.606 1.00 65.41 O ATOM 465 CB TRP A 35 -12.003 15.280 13.482 1.00 51.42 C ATOM 466 CG TRP A 35 -12.283 14.986 12.039 1.00 35.02 C ATOM 467 CD1 TRP A 35 -12.628 15.886 11.071 1.00 22.43 C ATOM 468 CD2 TRP A 35 -12.241 13.705 11.402 1.00 22.24 C ATOM 469 NE1 TRP A 35 -12.805 15.241 9.871 1.00 21.21 N ATOM 470 CE2 TRP A 35 -12.572 13.902 10.047 1.00 62.10 C ATOM 471 CE3 TRP A 35 -11.955 12.410 11.843 1.00 73.20 C ATOM 472 CZ2 TRP A 35 -12.626 12.852 9.134 1.00 44.31 C ATOM 473 CZ3 TRP A 35 -12.008 11.369 10.935 1.00 61.34 C ATOM 474 CH2 TRP A 35 -12.341 11.596 9.593 1.00 61.24 C ATOM 0 H TRP A 35 -10.340 16.486 11.814 1.00 10.12 H new ATOM 0 HA TRP A 35 -10.486 16.129 14.745 1.00 30.32 H new ATOM 0 HB2 TRP A 35 -12.231 14.395 14.077 1.00 51.42 H new ATOM 0 HB3 TRP A 35 -12.671 16.072 13.820 1.00 51.42 H new ATOM 0 HD1 TRP A 35 -12.744 16.948 11.226 1.00 22.43 H new ATOM 0 HE1 TRP A 35 -13.067 15.686 8.992 1.00 21.21 H new ATOM 0 HE3 TRP A 35 -11.697 12.226 12.875 1.00 73.20 H new ATOM 0 HZ2 TRP A 35 -12.884 13.024 8.099 1.00 44.31 H new ATOM 0 HZ3 TRP A 35 -11.789 10.364 11.265 1.00 61.34 H new ATOM 0 HH2 TRP A 35 -12.373 10.762 8.907 1.00 61.24 H new ATOM 485 N THR A 36 -9.103 14.087 14.827 1.00 32.32 N ATOM 486 CA THR A 36 -8.209 12.938 14.897 1.00 23.35 C ATOM 487 C THR A 36 -8.751 11.877 15.850 1.00 13.41 C ATOM 488 O THR A 36 -8.668 12.024 17.069 1.00 65.21 O ATOM 489 CB THR A 36 -6.798 13.350 15.355 1.00 65.14 C ATOM 490 OG1 THR A 36 -6.586 14.742 15.092 1.00 73.54 O ATOM 491 CG2 THR A 36 -5.736 12.527 14.643 1.00 53.31 C ATOM 0 H THR A 36 -9.272 14.545 15.723 1.00 32.32 H new ATOM 0 HA THR A 36 -8.149 12.523 13.891 1.00 23.35 H new ATOM 0 HB THR A 36 -6.719 13.166 16.426 1.00 65.14 H new ATOM 0 HG1 THR A 36 -5.687 14.998 15.387 1.00 73.54 H new ATOM 0 HG21 THR A 36 -4.748 12.836 14.983 1.00 53.31 H new ATOM 0 HG22 THR A 36 -5.883 11.471 14.868 1.00 53.31 H new ATOM 0 HG23 THR A 36 -5.815 12.683 13.567 1.00 53.31 H new ATOM 499 N VAL A 37 -9.304 10.808 15.286 1.00 14.34 N ATOM 500 CA VAL A 37 -9.857 9.722 16.086 1.00 15.11 C ATOM 501 C VAL A 37 -8.898 8.538 16.141 1.00 33.43 C ATOM 502 O VAL A 37 -8.752 7.799 15.168 1.00 52.51 O ATOM 503 CB VAL A 37 -11.211 9.246 15.526 1.00 60.25 C ATOM 504 CG1 VAL A 37 -11.880 8.282 16.494 1.00 71.45 C ATOM 505 CG2 VAL A 37 -12.114 10.435 15.236 1.00 64.32 C ATOM 0 H VAL A 37 -9.381 10.671 14.278 1.00 14.34 H new ATOM 0 HA VAL A 37 -10.006 10.113 17.092 1.00 15.11 H new ATOM 0 HB VAL A 37 -11.032 8.717 14.590 1.00 60.25 H new ATOM 0 HG11 VAL A 37 -12.835 7.957 16.082 1.00 71.45 H new ATOM 0 HG12 VAL A 37 -11.237 7.416 16.647 1.00 71.45 H new ATOM 0 HG13 VAL A 37 -12.048 8.782 17.448 1.00 71.45 H new ATOM 0 HG21 VAL A 37 -13.066 10.081 14.841 1.00 64.32 H new ATOM 0 HG22 VAL A 37 -12.288 10.993 16.156 1.00 64.32 H new ATOM 0 HG23 VAL A 37 -11.636 11.085 14.503 1.00 64.32 H new ATOM 515 N GLU A 38 -8.248 8.363 17.288 1.00 25.01 N ATOM 516 CA GLU A 38 -7.303 7.267 17.470 1.00 43.14 C ATOM 517 C GLU A 38 -7.716 6.381 18.643 1.00 40.51 C ATOM 518 O GLU A 38 -8.422 6.824 19.550 1.00 1.14 O ATOM 519 CB GLU A 38 -5.893 7.814 17.702 1.00 12.14 C ATOM 520 CG GLU A 38 -5.846 8.988 18.665 1.00 61.44 C ATOM 521 CD GLU A 38 -6.150 10.311 17.989 1.00 23.15 C ATOM 522 OE1 GLU A 38 -5.929 10.414 16.764 1.00 54.15 O ATOM 523 OE2 GLU A 38 -6.610 11.241 18.683 1.00 65.40 O ATOM 0 H GLU A 38 -8.358 8.965 18.104 1.00 25.01 H new ATOM 0 HA GLU A 38 -7.307 6.663 16.562 1.00 43.14 H new ATOM 0 HB2 GLU A 38 -5.261 7.014 18.087 1.00 12.14 H new ATOM 0 HB3 GLU A 38 -5.470 8.122 16.746 1.00 12.14 H new ATOM 0 HG2 GLU A 38 -6.563 8.822 19.469 1.00 61.44 H new ATOM 0 HG3 GLU A 38 -4.858 9.037 19.124 1.00 61.44 H new ATOM 530 N TRP A 39 -7.272 5.130 18.616 1.00 43.23 N ATOM 531 CA TRP A 39 -7.595 4.182 19.675 1.00 65.43 C ATOM 532 C TRP A 39 -6.572 3.052 19.726 1.00 43.44 C ATOM 533 O TRP A 39 -5.745 2.911 18.826 1.00 63.11 O ATOM 534 CB TRP A 39 -8.997 3.608 19.464 1.00 71.31 C ATOM 535 CG TRP A 39 -9.652 4.090 18.205 1.00 65.45 C ATOM 536 CD1 TRP A 39 -10.701 4.961 18.109 1.00 32.24 C ATOM 537 CD2 TRP A 39 -9.305 3.728 16.865 1.00 71.04 C ATOM 538 NE1 TRP A 39 -11.026 5.160 16.789 1.00 43.21 N ATOM 539 CE2 TRP A 39 -10.183 4.417 16.006 1.00 5.13 C ATOM 540 CE3 TRP A 39 -8.335 2.891 16.307 1.00 5.53 C ATOM 541 CZ2 TRP A 39 -10.120 4.292 14.620 1.00 72.34 C ATOM 542 CZ3 TRP A 39 -8.273 2.768 14.931 1.00 21.30 C ATOM 543 CH2 TRP A 39 -9.161 3.466 14.101 1.00 5.01 C ATOM 0 H TRP A 39 -6.687 4.749 17.872 1.00 43.23 H new ATOM 0 HA TRP A 39 -7.567 4.715 20.626 1.00 65.43 H new ATOM 0 HB2 TRP A 39 -8.937 2.520 19.440 1.00 71.31 H new ATOM 0 HB3 TRP A 39 -9.623 3.874 20.316 1.00 71.31 H new ATOM 0 HD1 TRP A 39 -11.201 5.424 18.947 1.00 32.24 H new ATOM 0 HE1 TRP A 39 -11.774 5.763 16.447 1.00 43.21 H new ATOM 0 HE3 TRP A 39 -7.646 2.350 16.939 1.00 5.53 H new ATOM 0 HZ2 TRP A 39 -10.804 4.828 13.978 1.00 72.34 H new ATOM 0 HZ3 TRP A 39 -7.528 2.123 14.489 1.00 21.30 H new ATOM 0 HH2 TRP A 39 -9.087 3.349 13.030 1.00 5.01 H new ATOM 554 N ASP A 40 -6.634 2.251 20.784 1.00 40.22 N ATOM 555 CA ASP A 40 -5.714 1.133 20.951 1.00 55.10 C ATOM 556 C ASP A 40 -6.354 -0.172 20.491 1.00 25.25 C ATOM 557 O ASP A 40 -7.492 -0.479 20.851 1.00 12.31 O ATOM 558 CB ASP A 40 -5.280 1.015 22.413 1.00 24.30 C ATOM 559 CG ASP A 40 -4.451 2.200 22.868 1.00 31.22 C ATOM 560 OD1 ASP A 40 -3.910 2.914 21.999 1.00 14.45 O ATOM 561 OD2 ASP A 40 -4.342 2.411 24.095 1.00 11.42 O ATOM 0 H ASP A 40 -7.312 2.355 21.539 1.00 40.22 H new ATOM 0 HA ASP A 40 -4.836 1.323 20.334 1.00 55.10 H new ATOM 0 HB2 ASP A 40 -6.164 0.929 23.045 1.00 24.30 H new ATOM 0 HB3 ASP A 40 -4.703 0.100 22.545 1.00 24.30 H new ATOM 566 N PHE A 41 -5.618 -0.938 19.691 1.00 23.41 N ATOM 567 CA PHE A 41 -6.117 -2.210 19.179 1.00 52.25 C ATOM 568 C PHE A 41 -5.355 -3.379 19.796 1.00 12.34 C ATOM 569 O PHE A 41 -4.442 -3.945 19.193 1.00 14.02 O ATOM 570 CB PHE A 41 -5.994 -2.253 17.655 1.00 11.00 C ATOM 571 CG PHE A 41 -7.270 -1.911 16.941 1.00 11.10 C ATOM 572 CD1 PHE A 41 -8.439 -2.605 17.212 1.00 54.23 C ATOM 573 CD2 PHE A 41 -7.302 -0.897 15.997 1.00 73.10 C ATOM 574 CE1 PHE A 41 -9.614 -2.292 16.558 1.00 24.53 C ATOM 575 CE2 PHE A 41 -8.475 -0.580 15.340 1.00 31.14 C ATOM 576 CZ PHE A 41 -9.632 -1.279 15.619 1.00 24.13 C ATOM 0 H PHE A 41 -4.675 -0.700 19.384 1.00 23.41 H new ATOM 0 HA PHE A 41 -7.168 -2.298 19.454 1.00 52.25 H new ATOM 0 HB2 PHE A 41 -5.214 -1.559 17.342 1.00 11.00 H new ATOM 0 HB3 PHE A 41 -5.674 -3.250 17.352 1.00 11.00 H new ATOM 0 HD1 PHE A 41 -8.431 -3.400 17.943 1.00 54.23 H new ATOM 0 HD2 PHE A 41 -6.399 -0.348 15.772 1.00 73.10 H new ATOM 0 HE1 PHE A 41 -10.518 -2.839 16.780 1.00 24.53 H new ATOM 0 HE2 PHE A 41 -8.487 0.214 14.608 1.00 31.14 H new ATOM 0 HZ PHE A 41 -10.549 -1.034 15.104 1.00 24.13 H new ATOM 586 N PRO A 42 -5.737 -3.751 21.027 1.00 5.51 N ATOM 587 CA PRO A 42 -5.104 -4.856 21.752 1.00 1.32 C ATOM 588 C PRO A 42 -5.424 -6.214 21.136 1.00 44.02 C ATOM 589 O PRO A 42 -4.531 -7.028 20.902 1.00 34.32 O ATOM 590 CB PRO A 42 -5.706 -4.750 23.156 1.00 14.32 C ATOM 591 CG PRO A 42 -7.015 -4.069 22.955 1.00 23.01 C ATOM 592 CD PRO A 42 -6.817 -3.122 21.804 1.00 21.12 C ATOM 0 HA PRO A 42 -4.016 -4.785 21.733 1.00 1.32 H new ATOM 0 HB2 PRO A 42 -5.836 -5.734 23.606 1.00 14.32 H new ATOM 0 HB3 PRO A 42 -5.060 -4.178 23.822 1.00 14.32 H new ATOM 0 HG2 PRO A 42 -7.801 -4.791 22.735 1.00 23.01 H new ATOM 0 HG3 PRO A 42 -7.318 -3.532 23.854 1.00 23.01 H new ATOM 0 HD2 PRO A 42 -7.726 -3.012 21.213 1.00 21.12 H new ATOM 0 HD3 PRO A 42 -6.538 -2.126 22.147 1.00 21.12 H new ATOM 600 N THR A 43 -6.706 -6.452 20.874 1.00 50.34 N ATOM 601 CA THR A 43 -7.145 -7.711 20.285 1.00 50.23 C ATOM 602 C THR A 43 -6.769 -7.789 18.810 1.00 40.54 C ATOM 603 O THR A 43 -6.789 -6.784 18.101 1.00 4.31 O ATOM 604 CB THR A 43 -8.667 -7.896 20.427 1.00 3.04 C ATOM 605 OG1 THR A 43 -9.053 -9.180 19.922 1.00 64.13 O ATOM 606 CG2 THR A 43 -9.417 -6.805 19.676 1.00 33.34 C ATOM 0 H THR A 43 -7.458 -5.789 21.061 1.00 50.34 H new ATOM 0 HA THR A 43 -6.638 -8.508 20.828 1.00 50.23 H new ATOM 0 HB THR A 43 -8.922 -7.829 21.485 1.00 3.04 H new ATOM 0 HG1 THR A 43 -9.987 -9.358 20.160 1.00 64.13 H new ATOM 0 HG21 THR A 43 -10.490 -6.956 19.791 1.00 33.34 H new ATOM 0 HG22 THR A 43 -9.143 -5.831 20.080 1.00 33.34 H new ATOM 0 HG23 THR A 43 -9.156 -6.846 18.619 1.00 33.34 H new ATOM 614 N GLY A 44 -6.426 -8.989 18.353 1.00 62.31 N ATOM 615 CA GLY A 44 -6.051 -9.176 16.964 1.00 41.02 C ATOM 616 C GLY A 44 -6.956 -8.418 16.013 1.00 45.05 C ATOM 617 O GLY A 44 -8.037 -8.892 15.662 1.00 23.03 O ATOM 0 H GLY A 44 -6.401 -9.836 18.921 1.00 62.31 H new ATOM 0 HA2 GLY A 44 -5.022 -8.847 16.821 1.00 41.02 H new ATOM 0 HA3 GLY A 44 -6.083 -10.238 16.722 1.00 41.02 H new ATOM 621 N THR A 45 -6.516 -7.235 15.595 1.00 74.32 N ATOM 622 CA THR A 45 -7.294 -6.409 14.681 1.00 25.12 C ATOM 623 C THR A 45 -6.398 -5.445 13.913 1.00 40.44 C ATOM 624 O THR A 45 -5.422 -4.922 14.454 1.00 4.14 O ATOM 625 CB THR A 45 -8.372 -5.604 15.432 1.00 53.44 C ATOM 626 OG1 THR A 45 -9.301 -6.494 16.058 1.00 24.12 O ATOM 627 CG2 THR A 45 -9.112 -4.675 14.482 1.00 42.30 C ATOM 0 H THR A 45 -5.624 -6.828 15.876 1.00 74.32 H new ATOM 0 HA THR A 45 -7.780 -7.086 13.978 1.00 25.12 H new ATOM 0 HB THR A 45 -7.879 -5.001 16.194 1.00 53.44 H new ATOM 0 HG1 THR A 45 -9.982 -5.974 16.534 1.00 24.12 H new ATOM 0 HG21 THR A 45 -9.868 -4.117 15.034 1.00 42.30 H new ATOM 0 HG22 THR A 45 -8.405 -3.979 14.030 1.00 42.30 H new ATOM 0 HG23 THR A 45 -9.594 -5.262 13.700 1.00 42.30 H new ATOM 635 N LYS A 46 -6.734 -5.210 12.649 1.00 61.52 N ATOM 636 CA LYS A 46 -5.962 -4.306 11.805 1.00 70.31 C ATOM 637 C LYS A 46 -6.822 -3.746 10.678 1.00 51.42 C ATOM 638 O LYS A 46 -7.508 -4.491 9.978 1.00 2.14 O ATOM 639 CB LYS A 46 -4.748 -5.033 11.223 1.00 32.20 C ATOM 640 CG LYS A 46 -3.620 -5.230 12.221 1.00 21.41 C ATOM 641 CD LYS A 46 -2.262 -5.222 11.538 1.00 70.40 C ATOM 642 CE LYS A 46 -1.483 -6.495 11.831 1.00 41.42 C ATOM 643 NZ LYS A 46 -0.012 -6.266 11.793 1.00 43.23 N ATOM 0 H LYS A 46 -7.538 -5.634 12.186 1.00 61.52 H new ATOM 0 HA LYS A 46 -5.619 -3.475 12.422 1.00 70.31 H new ATOM 0 HB2 LYS A 46 -5.064 -6.006 10.848 1.00 32.20 H new ATOM 0 HB3 LYS A 46 -4.372 -4.469 10.369 1.00 32.20 H new ATOM 0 HG2 LYS A 46 -3.655 -4.440 12.972 1.00 21.41 H new ATOM 0 HG3 LYS A 46 -3.759 -6.175 12.746 1.00 21.41 H new ATOM 0 HD2 LYS A 46 -2.396 -5.116 10.461 1.00 70.40 H new ATOM 0 HD3 LYS A 46 -1.689 -4.358 11.875 1.00 70.40 H new ATOM 0 HE2 LYS A 46 -1.766 -6.876 12.812 1.00 41.42 H new ATOM 0 HE3 LYS A 46 -1.750 -7.260 11.102 1.00 41.42 H new ATOM 0 HZ1 LYS A 46 0.483 -7.157 11.998 1.00 43.23 H new ATOM 0 HZ2 LYS A 46 0.262 -5.926 10.849 1.00 43.23 H new ATOM 0 HZ3 LYS A 46 0.247 -5.554 12.506 1.00 43.23 H new ATOM 657 N VAL A 47 -6.780 -2.429 10.505 1.00 71.13 N ATOM 658 CA VAL A 47 -7.553 -1.768 9.460 1.00 35.43 C ATOM 659 C VAL A 47 -6.888 -1.932 8.099 1.00 23.13 C ATOM 660 O VAL A 47 -6.034 -1.134 7.712 1.00 54.12 O ATOM 661 CB VAL A 47 -7.730 -0.268 9.757 1.00 41.00 C ATOM 662 CG1 VAL A 47 -8.550 0.400 8.663 1.00 14.34 C ATOM 663 CG2 VAL A 47 -8.380 -0.066 11.118 1.00 14.43 C ATOM 0 H VAL A 47 -6.218 -1.798 11.076 1.00 71.13 H new ATOM 0 HA VAL A 47 -8.533 -2.244 9.441 1.00 35.43 H new ATOM 0 HB VAL A 47 -6.745 0.198 9.777 1.00 41.00 H new ATOM 0 HG11 VAL A 47 -8.665 1.460 8.890 1.00 14.34 H new ATOM 0 HG12 VAL A 47 -8.041 0.287 7.706 1.00 14.34 H new ATOM 0 HG13 VAL A 47 -9.533 -0.068 8.608 1.00 14.34 H new ATOM 0 HG21 VAL A 47 -8.497 1.000 11.311 1.00 14.43 H new ATOM 0 HG22 VAL A 47 -9.358 -0.546 11.129 1.00 14.43 H new ATOM 0 HG23 VAL A 47 -7.751 -0.507 11.891 1.00 14.43 H new ATOM 673 N THR A 48 -7.286 -2.972 7.373 1.00 4.24 N ATOM 674 CA THR A 48 -6.729 -3.241 6.053 1.00 0.13 C ATOM 675 C THR A 48 -7.321 -2.306 5.005 1.00 42.33 C ATOM 676 O THR A 48 -6.657 -1.951 4.030 1.00 64.22 O ATOM 677 CB THR A 48 -6.979 -4.699 5.624 1.00 5.22 C ATOM 678 OG1 THR A 48 -6.632 -5.590 6.690 1.00 0.14 O ATOM 679 CG2 THR A 48 -6.169 -5.044 4.383 1.00 24.25 C ATOM 0 H THR A 48 -7.992 -3.642 7.677 1.00 4.24 H new ATOM 0 HA THR A 48 -5.655 -3.070 6.123 1.00 0.13 H new ATOM 0 HB THR A 48 -8.038 -4.809 5.390 1.00 5.22 H new ATOM 0 HG1 THR A 48 -6.796 -6.515 6.410 1.00 0.14 H new ATOM 0 HG21 THR A 48 -6.362 -6.078 4.099 1.00 24.25 H new ATOM 0 HG22 THR A 48 -6.457 -4.383 3.565 1.00 24.25 H new ATOM 0 HG23 THR A 48 -5.107 -4.918 4.595 1.00 24.25 H new ATOM 687 N SER A 49 -8.572 -1.909 5.212 1.00 44.00 N ATOM 688 CA SER A 49 -9.255 -1.017 4.282 1.00 41.22 C ATOM 689 C SER A 49 -9.812 0.203 5.010 1.00 2.54 C ATOM 690 O SER A 49 -10.165 0.130 6.186 1.00 40.23 O ATOM 691 CB SER A 49 -10.387 -1.759 3.568 1.00 13.43 C ATOM 692 OG SER A 49 -10.023 -2.083 2.236 1.00 44.44 O ATOM 0 H SER A 49 -9.134 -2.191 6.015 1.00 44.00 H new ATOM 0 HA SER A 49 -8.529 -0.678 3.543 1.00 41.22 H new ATOM 0 HB2 SER A 49 -10.630 -2.670 4.114 1.00 13.43 H new ATOM 0 HB3 SER A 49 -11.285 -1.141 3.563 1.00 13.43 H new ATOM 0 HG SER A 49 -10.762 -2.558 1.801 1.00 44.44 H new ATOM 698 N ALA A 50 -9.887 1.324 4.299 1.00 64.33 N ATOM 699 CA ALA A 50 -10.403 2.559 4.876 1.00 51.40 C ATOM 700 C ALA A 50 -10.940 3.488 3.793 1.00 2.11 C ATOM 701 O ALA A 50 -10.417 3.526 2.679 1.00 25.13 O ATOM 702 CB ALA A 50 -9.319 3.258 5.683 1.00 51.31 C ATOM 0 H ALA A 50 -9.597 1.402 3.324 1.00 64.33 H new ATOM 0 HA ALA A 50 -11.228 2.303 5.541 1.00 51.40 H new ATOM 0 HB1 ALA A 50 -9.718 4.179 6.108 1.00 51.31 H new ATOM 0 HB2 ALA A 50 -8.984 2.603 6.487 1.00 51.31 H new ATOM 0 HB3 ALA A 50 -8.477 3.494 5.033 1.00 51.31 H new ATOM 708 N TRP A 51 -11.987 4.235 4.126 1.00 4.35 N ATOM 709 CA TRP A 51 -12.596 5.163 3.180 1.00 52.41 C ATOM 710 C TRP A 51 -13.077 6.425 3.888 1.00 13.44 C ATOM 711 O TRP A 51 -13.597 6.362 5.002 1.00 33.22 O ATOM 712 CB TRP A 51 -13.764 4.492 2.455 1.00 61.02 C ATOM 713 CG TRP A 51 -14.740 3.835 3.383 1.00 74.55 C ATOM 714 CD1 TRP A 51 -15.649 4.456 4.192 1.00 43.25 C ATOM 715 CD2 TRP A 51 -14.903 2.430 3.600 1.00 32.33 C ATOM 716 NE1 TRP A 51 -16.366 3.522 4.899 1.00 44.20 N ATOM 717 CE2 TRP A 51 -15.929 2.271 4.552 1.00 63.42 C ATOM 718 CE3 TRP A 51 -14.283 1.289 3.081 1.00 65.32 C ATOM 719 CZ2 TRP A 51 -16.346 1.018 4.995 1.00 72.12 C ATOM 720 CZ3 TRP A 51 -14.699 0.047 3.522 1.00 32.11 C ATOM 721 CH2 TRP A 51 -15.722 -0.081 4.471 1.00 44.50 C ATOM 0 H TRP A 51 -12.432 4.216 5.044 1.00 4.35 H new ATOM 0 HA TRP A 51 -11.839 5.446 2.449 1.00 52.41 H new ATOM 0 HB2 TRP A 51 -14.288 5.238 1.857 1.00 61.02 H new ATOM 0 HB3 TRP A 51 -13.373 3.746 1.763 1.00 61.02 H new ATOM 0 HD1 TRP A 51 -15.784 5.525 4.265 1.00 43.25 H new ATOM 0 HE1 TRP A 51 -17.104 3.727 5.573 1.00 44.20 H new ATOM 0 HE3 TRP A 51 -13.494 1.377 2.349 1.00 65.32 H new ATOM 0 HZ2 TRP A 51 -17.134 0.918 5.726 1.00 72.12 H new ATOM 0 HZ3 TRP A 51 -14.227 -0.841 3.128 1.00 32.11 H new ATOM 0 HH2 TRP A 51 -16.024 -1.066 4.795 1.00 44.50 H new ATOM 732 N ASP A 52 -12.901 7.568 3.235 1.00 34.21 N ATOM 733 CA ASP A 52 -13.318 8.845 3.803 1.00 3.01 C ATOM 734 C ASP A 52 -12.533 9.158 5.071 1.00 71.34 C ATOM 735 O ASP A 52 -12.917 10.028 5.853 1.00 22.03 O ATOM 736 CB ASP A 52 -14.817 8.825 4.107 1.00 25.21 C ATOM 737 CG ASP A 52 -15.612 9.707 3.163 1.00 74.14 C ATOM 738 OD1 ASP A 52 -15.753 10.913 3.457 1.00 63.11 O ATOM 739 OD2 ASP A 52 -16.090 9.192 2.132 1.00 10.12 O ATOM 0 H ASP A 52 -12.472 7.637 2.312 1.00 34.21 H new ATOM 0 HA ASP A 52 -13.114 9.626 3.070 1.00 3.01 H new ATOM 0 HB2 ASP A 52 -15.185 7.801 4.039 1.00 25.21 H new ATOM 0 HB3 ASP A 52 -14.981 9.155 5.133 1.00 25.21 H new ATOM 744 N ALA A 53 -11.431 8.443 5.272 1.00 20.15 N ATOM 745 CA ALA A 53 -10.591 8.644 6.445 1.00 43.34 C ATOM 746 C ALA A 53 -9.303 7.834 6.345 1.00 63.42 C ATOM 747 O ALA A 53 -9.336 6.608 6.236 1.00 73.41 O ATOM 748 CB ALA A 53 -11.353 8.276 7.709 1.00 35.52 C ATOM 0 H ALA A 53 -11.099 7.718 4.636 1.00 20.15 H new ATOM 0 HA ALA A 53 -10.321 9.699 6.491 1.00 43.34 H new ATOM 0 HB1 ALA A 53 -10.713 8.431 8.578 1.00 35.52 H new ATOM 0 HB2 ALA A 53 -12.240 8.904 7.795 1.00 35.52 H new ATOM 0 HB3 ALA A 53 -11.653 7.229 7.661 1.00 35.52 H new ATOM 754 N THR A 54 -8.169 8.526 6.383 1.00 51.40 N ATOM 755 CA THR A 54 -6.871 7.871 6.294 1.00 72.44 C ATOM 756 C THR A 54 -6.461 7.280 7.639 1.00 15.25 C ATOM 757 O THR A 54 -6.145 8.010 8.578 1.00 24.31 O ATOM 758 CB THR A 54 -5.779 8.848 5.821 1.00 51.33 C ATOM 759 OG1 THR A 54 -6.078 9.317 4.502 1.00 33.35 O ATOM 760 CG2 THR A 54 -4.412 8.180 5.830 1.00 32.10 C ATOM 0 H THR A 54 -8.124 9.541 6.475 1.00 51.40 H new ATOM 0 HA THR A 54 -6.971 7.069 5.562 1.00 72.44 H new ATOM 0 HB THR A 54 -5.757 9.693 6.510 1.00 51.33 H new ATOM 0 HG1 THR A 54 -5.379 9.939 4.210 1.00 33.35 H new ATOM 0 HG21 THR A 54 -3.658 8.890 5.492 1.00 32.10 H new ATOM 0 HG22 THR A 54 -4.174 7.852 6.842 1.00 32.10 H new ATOM 0 HG23 THR A 54 -4.424 7.318 5.163 1.00 32.10 H new ATOM 768 N VAL A 55 -6.465 5.953 7.722 1.00 72.14 N ATOM 769 CA VAL A 55 -6.092 5.264 8.952 1.00 31.50 C ATOM 770 C VAL A 55 -4.613 4.894 8.947 1.00 13.13 C ATOM 771 O VAL A 55 -4.074 4.455 7.930 1.00 0.40 O ATOM 772 CB VAL A 55 -6.928 3.987 9.156 1.00 41.22 C ATOM 773 CG1 VAL A 55 -6.709 3.422 10.551 1.00 14.30 C ATOM 774 CG2 VAL A 55 -8.403 4.272 8.913 1.00 12.11 C ATOM 0 H VAL A 55 -6.722 5.334 6.953 1.00 72.14 H new ATOM 0 HA VAL A 55 -6.289 5.953 9.773 1.00 31.50 H new ATOM 0 HB VAL A 55 -6.601 3.240 8.432 1.00 41.22 H new ATOM 0 HG11 VAL A 55 -7.308 2.520 10.676 1.00 14.30 H new ATOM 0 HG12 VAL A 55 -5.655 3.179 10.684 1.00 14.30 H new ATOM 0 HG13 VAL A 55 -7.007 4.162 11.294 1.00 14.30 H new ATOM 0 HG21 VAL A 55 -8.979 3.359 9.061 1.00 12.11 H new ATOM 0 HG22 VAL A 55 -8.746 5.035 9.612 1.00 12.11 H new ATOM 0 HG23 VAL A 55 -8.542 4.627 7.892 1.00 12.11 H new ATOM 784 N THR A 56 -3.959 5.074 10.090 1.00 33.44 N ATOM 785 CA THR A 56 -2.542 4.760 10.219 1.00 12.34 C ATOM 786 C THR A 56 -2.284 3.856 11.419 1.00 25.20 C ATOM 787 O THR A 56 -2.914 4.005 12.465 1.00 31.43 O ATOM 788 CB THR A 56 -1.693 6.038 10.362 1.00 22.14 C ATOM 789 OG1 THR A 56 -1.735 6.792 9.145 1.00 52.23 O ATOM 790 CG2 THR A 56 -0.252 5.695 10.702 1.00 73.34 C ATOM 0 H THR A 56 -4.389 5.436 10.941 1.00 33.44 H new ATOM 0 HA THR A 56 -2.251 4.239 9.307 1.00 12.34 H new ATOM 0 HB THR A 56 -2.108 6.635 11.174 1.00 22.14 H new ATOM 0 HG1 THR A 56 -1.195 7.604 9.244 1.00 52.23 H new ATOM 0 HG21 THR A 56 0.328 6.613 10.798 1.00 73.34 H new ATOM 0 HG22 THR A 56 -0.221 5.146 11.643 1.00 73.34 H new ATOM 0 HG23 THR A 56 0.172 5.079 9.909 1.00 73.34 H new ATOM 798 N ASN A 57 -1.355 2.920 11.260 1.00 23.30 N ATOM 799 CA ASN A 57 -1.015 1.991 12.332 1.00 63.22 C ATOM 800 C ASN A 57 0.364 2.305 12.907 1.00 5.15 C ATOM 801 O ASN A 57 1.198 2.920 12.244 1.00 50.41 O ATOM 802 CB ASN A 57 -1.050 0.551 11.819 1.00 20.15 C ATOM 803 CG ASN A 57 0.278 0.113 11.232 1.00 52.10 C ATOM 804 OD1 ASN A 57 0.516 0.254 10.032 1.00 73.21 O ATOM 805 ND2 ASN A 57 1.151 -0.421 12.078 1.00 53.10 N ATOM 0 H ASN A 57 -0.824 2.784 10.400 1.00 23.30 H new ATOM 0 HA ASN A 57 -1.755 2.104 13.125 1.00 63.22 H new ATOM 0 HB2 ASN A 57 -1.320 -0.117 12.637 1.00 20.15 H new ATOM 0 HB3 ASN A 57 -1.828 0.457 11.061 1.00 20.15 H new ATOM 0 HD21 ASN A 57 2.062 -0.734 11.741 1.00 53.10 H new ATOM 0 HD22 ASN A 57 0.911 -0.518 13.065 1.00 53.10 H new ATOM 812 N SER A 58 0.595 1.877 14.144 1.00 31.13 N ATOM 813 CA SER A 58 1.871 2.114 14.808 1.00 62.13 C ATOM 814 C SER A 58 2.062 1.150 15.976 1.00 11.24 C ATOM 815 O SER A 58 1.749 1.472 17.121 1.00 4.42 O ATOM 816 CB SER A 58 1.948 3.559 15.307 1.00 35.50 C ATOM 817 OG SER A 58 2.319 4.440 14.261 1.00 24.53 O ATOM 0 H SER A 58 -0.085 1.365 14.706 1.00 31.13 H new ATOM 0 HA SER A 58 2.668 1.943 14.084 1.00 62.13 H new ATOM 0 HB2 SER A 58 0.982 3.859 15.714 1.00 35.50 H new ATOM 0 HB3 SER A 58 2.671 3.629 16.119 1.00 35.50 H new ATOM 0 HG SER A 58 2.138 4.016 13.396 1.00 24.53 H new ATOM 823 N GLY A 59 2.582 -0.037 15.675 1.00 23.43 N ATOM 824 CA GLY A 59 2.807 -1.031 16.708 1.00 74.35 C ATOM 825 C GLY A 59 1.515 -1.631 17.227 1.00 51.24 C ATOM 826 O GLY A 59 1.027 -2.627 16.695 1.00 1.31 O ATOM 0 H GLY A 59 2.851 -0.327 14.735 1.00 23.43 H new ATOM 0 HA2 GLY A 59 3.439 -1.825 16.312 1.00 74.35 H new ATOM 0 HA3 GLY A 59 3.350 -0.574 17.535 1.00 74.35 H new ATOM 830 N ASP A 60 0.961 -1.024 18.271 1.00 23.21 N ATOM 831 CA ASP A 60 -0.282 -1.504 18.864 1.00 11.44 C ATOM 832 C ASP A 60 -1.315 -0.384 18.942 1.00 34.35 C ATOM 833 O ASP A 60 -2.390 -0.556 19.518 1.00 30.02 O ATOM 834 CB ASP A 60 -0.020 -2.074 20.259 1.00 65.24 C ATOM 835 CG ASP A 60 0.998 -3.196 20.245 1.00 12.43 C ATOM 836 OD1 ASP A 60 2.186 -2.915 19.980 1.00 34.24 O ATOM 837 OD2 ASP A 60 0.608 -4.354 20.500 1.00 22.21 O ATOM 0 H ASP A 60 1.353 -0.199 18.724 1.00 23.21 H new ATOM 0 HA ASP A 60 -0.679 -2.295 18.227 1.00 11.44 H new ATOM 0 HB2 ASP A 60 0.332 -1.277 20.914 1.00 65.24 H new ATOM 0 HB3 ASP A 60 -0.956 -2.442 20.679 1.00 65.24 H new ATOM 842 N HIS A 61 -0.982 0.763 18.361 1.00 14.31 N ATOM 843 CA HIS A 61 -1.881 1.912 18.366 1.00 13.22 C ATOM 844 C HIS A 61 -2.242 2.325 16.943 1.00 44.22 C ATOM 845 O HIS A 61 -1.433 2.197 16.024 1.00 71.53 O ATOM 846 CB HIS A 61 -1.235 3.087 19.102 1.00 3.52 C ATOM 847 CG HIS A 61 -2.006 4.366 18.979 1.00 72.41 C ATOM 848 ND1 HIS A 61 -2.818 4.855 19.982 1.00 34.34 N ATOM 849 CD2 HIS A 61 -2.084 5.259 17.966 1.00 1.23 C ATOM 850 CE1 HIS A 61 -3.363 5.991 19.589 1.00 52.11 C ATOM 851 NE2 HIS A 61 -2.934 6.260 18.369 1.00 72.21 N ATOM 0 H HIS A 61 -0.096 0.922 17.881 1.00 14.31 H new ATOM 0 HA HIS A 61 -2.795 1.625 18.885 1.00 13.22 H new ATOM 0 HB2 HIS A 61 -1.134 2.833 20.157 1.00 3.52 H new ATOM 0 HB3 HIS A 61 -0.228 3.240 18.713 1.00 3.52 H new ATOM 0 HD1 HIS A 61 -2.973 4.408 20.886 1.00 34.34 H new ATOM 0 HD2 HIS A 61 -1.573 5.197 17.017 1.00 1.23 H new ATOM 0 HE1 HIS A 61 -4.044 6.598 20.167 1.00 52.11 H new ATOM 859 N TRP A 62 -3.462 2.819 16.768 1.00 45.43 N ATOM 860 CA TRP A 62 -3.932 3.250 15.456 1.00 31.02 C ATOM 861 C TRP A 62 -4.517 4.657 15.521 1.00 31.45 C ATOM 862 O TRP A 62 -4.817 5.166 16.602 1.00 24.55 O ATOM 863 CB TRP A 62 -4.980 2.273 14.920 1.00 34.41 C ATOM 864 CG TRP A 62 -4.409 0.940 14.540 1.00 25.11 C ATOM 865 CD1 TRP A 62 -3.898 -0.004 15.384 1.00 75.21 C ATOM 866 CD2 TRP A 62 -4.291 0.404 13.217 1.00 52.23 C ATOM 867 NE1 TRP A 62 -3.468 -1.094 14.666 1.00 64.34 N ATOM 868 CE2 TRP A 62 -3.699 -0.869 13.335 1.00 4.33 C ATOM 869 CE3 TRP A 62 -4.629 0.875 11.945 1.00 74.12 C ATOM 870 CZ2 TRP A 62 -3.439 -1.673 12.229 1.00 34.14 C ATOM 871 CZ3 TRP A 62 -4.368 0.076 10.849 1.00 24.14 C ATOM 872 CH2 TRP A 62 -3.779 -1.187 10.996 1.00 62.01 C ATOM 0 H TRP A 62 -4.144 2.931 17.518 1.00 45.43 H new ATOM 0 HA TRP A 62 -3.078 3.263 14.779 1.00 31.02 H new ATOM 0 HB2 TRP A 62 -5.751 2.128 15.676 1.00 34.41 H new ATOM 0 HB3 TRP A 62 -5.466 2.714 14.050 1.00 34.41 H new ATOM 0 HD1 TRP A 62 -3.840 0.092 16.458 1.00 75.21 H new ATOM 0 HE1 TRP A 62 -3.045 -1.934 15.060 1.00 64.34 H new ATOM 0 HE3 TRP A 62 -5.086 1.846 11.822 1.00 74.12 H new ATOM 0 HZ2 TRP A 62 -2.985 -2.646 12.340 1.00 34.14 H new ATOM 0 HZ3 TRP A 62 -4.622 0.431 9.861 1.00 24.14 H new ATOM 0 HH2 TRP A 62 -3.590 -1.788 10.119 1.00 62.01 H new ATOM 883 N THR A 63 -4.677 5.281 14.359 1.00 24.31 N ATOM 884 CA THR A 63 -5.226 6.629 14.285 1.00 55.53 C ATOM 885 C THR A 63 -5.950 6.857 12.962 1.00 75.44 C ATOM 886 O THR A 63 -5.589 6.276 11.939 1.00 12.40 O ATOM 887 CB THR A 63 -4.123 7.694 14.443 1.00 20.34 C ATOM 888 OG1 THR A 63 -4.713 8.978 14.674 1.00 34.03 O ATOM 889 CG2 THR A 63 -3.242 7.749 13.205 1.00 33.24 C ATOM 0 H THR A 63 -4.434 4.874 13.456 1.00 24.31 H new ATOM 0 HA THR A 63 -5.936 6.726 15.106 1.00 55.53 H new ATOM 0 HB THR A 63 -3.503 7.420 15.297 1.00 20.34 H new ATOM 0 HG1 THR A 63 -4.006 9.649 14.775 1.00 34.03 H new ATOM 0 HG21 THR A 63 -2.471 8.508 13.340 1.00 33.24 H new ATOM 0 HG22 THR A 63 -2.772 6.778 13.050 1.00 33.24 H new ATOM 0 HG23 THR A 63 -3.850 8.001 12.336 1.00 33.24 H new ATOM 897 N ALA A 64 -6.971 7.705 12.991 1.00 41.12 N ATOM 898 CA ALA A 64 -7.744 8.012 11.793 1.00 62.03 C ATOM 899 C ALA A 64 -7.850 9.518 11.578 1.00 32.30 C ATOM 900 O ALA A 64 -8.454 10.229 12.381 1.00 2.11 O ATOM 901 CB ALA A 64 -9.130 7.392 11.887 1.00 61.10 C ATOM 0 H ALA A 64 -7.283 8.192 13.831 1.00 41.12 H new ATOM 0 HA ALA A 64 -7.224 7.585 10.936 1.00 62.03 H new ATOM 0 HB1 ALA A 64 -9.696 7.629 10.986 1.00 61.10 H new ATOM 0 HB2 ALA A 64 -9.039 6.310 11.984 1.00 61.10 H new ATOM 0 HB3 ALA A 64 -9.649 7.792 12.758 1.00 61.10 H new ATOM 907 N LYS A 65 -7.258 9.998 10.490 1.00 53.34 N ATOM 908 CA LYS A 65 -7.285 11.420 10.168 1.00 53.01 C ATOM 909 C LYS A 65 -7.717 11.642 8.722 1.00 72.03 C ATOM 910 O LYS A 65 -7.548 10.768 7.873 1.00 63.04 O ATOM 911 CB LYS A 65 -5.907 12.043 10.401 1.00 63.03 C ATOM 912 CG LYS A 65 -4.808 11.425 9.555 1.00 61.43 C ATOM 913 CD LYS A 65 -4.154 10.249 10.262 1.00 44.13 C ATOM 914 CE LYS A 65 -2.778 10.614 10.795 1.00 62.24 C ATOM 915 NZ LYS A 65 -2.859 11.588 11.920 1.00 14.34 N ATOM 0 H LYS A 65 -6.753 9.423 9.816 1.00 53.34 H new ATOM 0 HA LYS A 65 -8.010 11.902 10.824 1.00 53.01 H new ATOM 0 HB2 LYS A 65 -5.960 13.111 10.189 1.00 63.03 H new ATOM 0 HB3 LYS A 65 -5.645 11.940 11.454 1.00 63.03 H new ATOM 0 HG2 LYS A 65 -5.223 11.093 8.603 1.00 61.43 H new ATOM 0 HG3 LYS A 65 -4.054 12.179 9.328 1.00 61.43 H new ATOM 0 HD2 LYS A 65 -4.788 9.919 11.085 1.00 44.13 H new ATOM 0 HD3 LYS A 65 -4.067 9.410 9.571 1.00 44.13 H new ATOM 0 HE2 LYS A 65 -2.268 9.712 11.132 1.00 62.24 H new ATOM 0 HE3 LYS A 65 -2.177 11.038 9.990 1.00 62.24 H new ATOM 0 HZ1 LYS A 65 -1.900 11.811 12.255 1.00 14.34 H new ATOM 0 HZ2 LYS A 65 -3.323 12.459 11.592 1.00 14.34 H new ATOM 0 HZ3 LYS A 65 -3.410 11.174 12.699 1.00 14.34 H new ATOM 929 N ASN A 66 -8.274 12.818 8.450 1.00 64.25 N ATOM 930 CA ASN A 66 -8.729 13.155 7.106 1.00 61.24 C ATOM 931 C ASN A 66 -8.216 14.529 6.687 1.00 2.42 C ATOM 932 O ASN A 66 -7.630 14.684 5.615 1.00 21.42 O ATOM 933 CB ASN A 66 -10.258 13.128 7.041 1.00 51.25 C ATOM 934 CG ASN A 66 -10.781 13.362 5.638 1.00 24.33 C ATOM 935 OD1 ASN A 66 -11.531 14.307 5.391 1.00 74.41 O ATOM 936 ND2 ASN A 66 -10.387 12.497 4.709 1.00 64.31 N ATOM 0 H ASN A 66 -8.421 13.553 9.142 1.00 64.25 H new ATOM 0 HA ASN A 66 -8.329 12.411 6.417 1.00 61.24 H new ATOM 0 HB2 ASN A 66 -10.617 12.165 7.404 1.00 51.25 H new ATOM 0 HB3 ASN A 66 -10.661 13.890 7.708 1.00 51.25 H new ATOM 0 HD21 ASN A 66 -10.707 12.602 3.746 1.00 64.31 H new ATOM 0 HD22 ASN A 66 -9.765 11.728 4.959 1.00 64.31 H new ATOM 943 N VAL A 67 -8.439 15.524 7.539 1.00 52.31 N ATOM 944 CA VAL A 67 -7.997 16.885 7.258 1.00 64.12 C ATOM 945 C VAL A 67 -6.666 17.183 7.940 1.00 64.02 C ATOM 946 O VAL A 67 -6.456 18.276 8.463 1.00 65.54 O ATOM 947 CB VAL A 67 -9.041 17.920 7.718 1.00 75.24 C ATOM 948 CG1 VAL A 67 -9.066 19.111 6.772 1.00 20.12 C ATOM 949 CG2 VAL A 67 -10.417 17.279 7.820 1.00 52.54 C ATOM 0 H VAL A 67 -8.923 15.413 8.430 1.00 52.31 H new ATOM 0 HA VAL A 67 -7.873 16.961 6.178 1.00 64.12 H new ATOM 0 HB VAL A 67 -8.759 18.280 8.708 1.00 75.24 H new ATOM 0 HG11 VAL A 67 -9.810 19.831 7.113 1.00 20.12 H new ATOM 0 HG12 VAL A 67 -8.084 19.583 6.756 1.00 20.12 H new ATOM 0 HG13 VAL A 67 -9.323 18.773 5.768 1.00 20.12 H new ATOM 0 HG21 VAL A 67 -11.142 18.024 8.146 1.00 52.54 H new ATOM 0 HG22 VAL A 67 -10.710 16.890 6.845 1.00 52.54 H new ATOM 0 HG23 VAL A 67 -10.386 16.463 8.542 1.00 52.54 H new ATOM 959 N GLY A 68 -5.770 16.202 7.929 1.00 35.04 N ATOM 960 CA GLY A 68 -4.469 16.378 8.550 1.00 5.32 C ATOM 961 C GLY A 68 -3.536 17.227 7.709 1.00 3.30 C ATOM 962 O GLY A 68 -2.400 17.489 8.102 1.00 34.51 O ATOM 0 H GLY A 68 -5.921 15.288 7.501 1.00 35.04 H new ATOM 0 HA2 GLY A 68 -4.596 16.843 9.528 1.00 5.32 H new ATOM 0 HA3 GLY A 68 -4.015 15.402 8.718 1.00 5.32 H new ATOM 966 N TRP A 69 -4.016 17.656 6.547 1.00 60.14 N ATOM 967 CA TRP A 69 -3.215 18.480 5.647 1.00 21.13 C ATOM 968 C TRP A 69 -3.780 19.893 5.555 1.00 23.13 C ATOM 969 O TRP A 69 -3.041 20.854 5.347 1.00 20.23 O ATOM 970 CB TRP A 69 -3.161 17.846 4.256 1.00 64.32 C ATOM 971 CG TRP A 69 -4.429 17.143 3.873 1.00 73.45 C ATOM 972 CD1 TRP A 69 -4.736 15.830 4.092 1.00 52.34 C ATOM 973 CD2 TRP A 69 -5.559 17.716 3.206 1.00 35.11 C ATOM 974 NE1 TRP A 69 -5.988 15.553 3.599 1.00 34.43 N ATOM 975 CE2 TRP A 69 -6.514 16.692 3.052 1.00 61.15 C ATOM 976 CE3 TRP A 69 -5.858 18.993 2.726 1.00 52.42 C ATOM 977 CZ2 TRP A 69 -7.744 16.908 2.436 1.00 42.34 C ATOM 978 CZ3 TRP A 69 -7.078 19.207 2.115 1.00 15.04 C ATOM 979 CH2 TRP A 69 -8.009 18.169 1.975 1.00 45.42 C ATOM 0 H TRP A 69 -4.954 17.448 6.206 1.00 60.14 H new ATOM 0 HA TRP A 69 -2.204 18.540 6.051 1.00 21.13 H new ATOM 0 HB2 TRP A 69 -2.947 18.621 3.520 1.00 64.32 H new ATOM 0 HB3 TRP A 69 -2.335 17.135 4.220 1.00 64.32 H new ATOM 0 HD1 TRP A 69 -4.090 15.115 4.580 1.00 52.34 H new ATOM 0 HE1 TRP A 69 -6.451 14.645 3.635 1.00 34.43 H new ATOM 0 HE3 TRP A 69 -5.147 19.799 2.831 1.00 52.42 H new ATOM 0 HZ2 TRP A 69 -8.463 16.109 2.326 1.00 42.34 H new ATOM 0 HZ3 TRP A 69 -7.318 20.190 1.739 1.00 15.04 H new ATOM 0 HH2 TRP A 69 -8.955 18.368 1.493 1.00 45.42 H new ATOM 990 N ASN A 70 -5.095 20.011 5.710 1.00 71.12 N ATOM 991 CA ASN A 70 -5.758 21.308 5.643 1.00 72.33 C ATOM 992 C ASN A 70 -6.101 21.816 7.041 1.00 2.20 C ATOM 993 O ASN A 70 -5.863 22.978 7.367 1.00 11.41 O ATOM 994 CB ASN A 70 -7.029 21.212 4.798 1.00 21.24 C ATOM 995 CG ASN A 70 -6.911 21.968 3.489 1.00 44.12 C ATOM 996 OD1 ASN A 70 -5.822 22.100 2.931 1.00 22.24 O ATOM 997 ND2 ASN A 70 -8.037 22.471 2.994 1.00 53.52 N ATOM 0 H ASN A 70 -5.722 19.225 5.883 1.00 71.12 H new ATOM 0 HA ASN A 70 -5.072 22.015 5.176 1.00 72.33 H new ATOM 0 HB2 ASN A 70 -7.246 20.164 4.591 1.00 21.24 H new ATOM 0 HB3 ASN A 70 -7.871 21.606 5.367 1.00 21.24 H new ATOM 0 HD21 ASN A 70 -8.021 22.991 2.117 1.00 53.52 H new ATOM 0 HD22 ASN A 70 -8.917 22.337 3.491 1.00 53.52 H new ATOM 1004 N GLY A 71 -6.664 20.935 7.863 1.00 44.55 N ATOM 1005 CA GLY A 71 -7.031 21.313 9.216 1.00 75.30 C ATOM 1006 C GLY A 71 -7.860 22.580 9.259 1.00 73.23 C ATOM 1007 O GLY A 71 -7.500 23.546 9.934 1.00 34.35 O ATOM 0 H GLY A 71 -6.872 19.967 7.617 1.00 44.55 H new ATOM 0 HA2 GLY A 71 -7.591 20.500 9.678 1.00 75.30 H new ATOM 0 HA3 GLY A 71 -6.127 21.454 9.808 1.00 75.30 H new ATOM 1011 N THR A 72 -8.975 22.581 8.536 1.00 25.12 N ATOM 1012 CA THR A 72 -9.858 23.740 8.493 1.00 42.01 C ATOM 1013 C THR A 72 -11.318 23.326 8.635 1.00 63.41 C ATOM 1014 O THR A 72 -11.974 22.977 7.652 1.00 50.12 O ATOM 1015 CB THR A 72 -9.685 24.528 7.180 1.00 24.53 C ATOM 1016 OG1 THR A 72 -10.738 25.490 7.045 1.00 55.40 O ATOM 1017 CG2 THR A 72 -9.690 23.592 5.982 1.00 32.43 C ATOM 0 H THR A 72 -9.288 21.791 7.972 1.00 25.12 H new ATOM 0 HA THR A 72 -9.582 24.379 9.332 1.00 42.01 H new ATOM 0 HB THR A 72 -8.725 25.042 7.214 1.00 24.53 H new ATOM 0 HG1 THR A 72 -10.621 25.988 6.209 1.00 55.40 H new ATOM 0 HG21 THR A 72 -9.566 24.171 5.067 1.00 32.43 H new ATOM 0 HG22 THR A 72 -8.870 22.879 6.074 1.00 32.43 H new ATOM 0 HG23 THR A 72 -10.637 23.053 5.945 1.00 32.43 H new ATOM 1025 N LEU A 73 -11.823 23.366 9.863 1.00 42.44 N ATOM 1026 CA LEU A 73 -13.207 22.996 10.134 1.00 74.12 C ATOM 1027 C LEU A 73 -13.866 24.001 11.073 1.00 34.41 C ATOM 1028 O LEU A 73 -13.186 24.754 11.769 1.00 51.21 O ATOM 1029 CB LEU A 73 -13.270 21.594 10.743 1.00 30.11 C ATOM 1030 CG LEU A 73 -14.272 20.629 10.105 1.00 41.53 C ATOM 1031 CD1 LEU A 73 -13.821 19.190 10.294 1.00 31.21 C ATOM 1032 CD2 LEU A 73 -15.660 20.837 10.693 1.00 2.01 C ATOM 0 H LEU A 73 -11.294 23.651 10.687 1.00 42.44 H new ATOM 0 HA LEU A 73 -13.750 23.000 9.189 1.00 74.12 H new ATOM 0 HB2 LEU A 73 -12.277 21.148 10.682 1.00 30.11 H new ATOM 0 HB3 LEU A 73 -13.512 21.690 11.802 1.00 30.11 H new ATOM 0 HG LEU A 73 -14.317 20.836 9.036 1.00 41.53 H new ATOM 0 HD11 LEU A 73 -14.546 18.518 9.834 1.00 31.21 H new ATOM 0 HD12 LEU A 73 -12.847 19.049 9.825 1.00 31.21 H new ATOM 0 HD13 LEU A 73 -13.746 18.969 11.359 1.00 31.21 H new ATOM 0 HD21 LEU A 73 -16.360 20.143 10.228 1.00 2.01 H new ATOM 0 HD22 LEU A 73 -15.631 20.657 11.768 1.00 2.01 H new ATOM 0 HD23 LEU A 73 -15.985 21.860 10.505 1.00 2.01 H new ATOM 1044 N ALA A 74 -15.195 24.004 11.090 1.00 34.31 N ATOM 1045 CA ALA A 74 -15.946 24.913 11.947 1.00 32.33 C ATOM 1046 C ALA A 74 -16.267 24.263 13.290 1.00 3.33 C ATOM 1047 O ALA A 74 -16.185 23.045 13.452 1.00 55.42 O ATOM 1048 CB ALA A 74 -17.226 25.356 11.254 1.00 12.11 C ATOM 0 H ALA A 74 -15.774 23.387 10.520 1.00 34.31 H new ATOM 0 HA ALA A 74 -15.326 25.789 12.136 1.00 32.33 H new ATOM 0 HB1 ALA A 74 -17.777 26.034 11.906 1.00 12.11 H new ATOM 0 HB2 ALA A 74 -16.978 25.868 10.324 1.00 12.11 H new ATOM 0 HB3 ALA A 74 -17.842 24.484 11.035 1.00 12.11 H new ATOM 1054 N PRO A 75 -16.641 25.092 14.274 1.00 63.31 N ATOM 1055 CA PRO A 75 -16.982 24.619 15.620 1.00 64.33 C ATOM 1056 C PRO A 75 -18.292 23.839 15.646 1.00 23.33 C ATOM 1057 O PRO A 75 -18.653 23.247 16.662 1.00 5.33 O ATOM 1058 CB PRO A 75 -17.114 25.913 16.428 1.00 5.14 C ATOM 1059 CG PRO A 75 -17.464 26.954 15.420 1.00 55.15 C ATOM 1060 CD PRO A 75 -16.762 26.553 14.152 1.00 42.35 C ATOM 0 HA PRO A 75 -16.233 23.930 16.012 1.00 64.33 H new ATOM 0 HB2 PRO A 75 -17.887 25.826 17.192 1.00 5.14 H new ATOM 0 HB3 PRO A 75 -16.184 26.156 16.942 1.00 5.14 H new ATOM 0 HG2 PRO A 75 -18.542 27.005 15.270 1.00 55.15 H new ATOM 0 HG3 PRO A 75 -17.141 27.941 15.750 1.00 55.15 H new ATOM 0 HD2 PRO A 75 -17.335 26.836 13.269 1.00 42.35 H new ATOM 0 HD3 PRO A 75 -15.786 27.031 14.065 1.00 42.35 H new ATOM 1068 N GLY A 76 -19.000 23.841 14.520 1.00 72.30 N ATOM 1069 CA GLY A 76 -20.262 23.130 14.435 1.00 34.10 C ATOM 1070 C GLY A 76 -20.407 22.359 13.138 1.00 54.15 C ATOM 1071 O GLY A 76 -20.463 22.950 12.060 1.00 21.33 O ATOM 0 H GLY A 76 -18.721 24.323 13.665 1.00 72.30 H new ATOM 0 HA2 GLY A 76 -20.344 22.440 15.275 1.00 34.10 H new ATOM 0 HA3 GLY A 76 -21.083 23.841 14.525 1.00 34.10 H new ATOM 1075 N ALA A 77 -20.466 21.035 13.241 1.00 75.02 N ATOM 1076 CA ALA A 77 -20.606 20.183 12.068 1.00 12.44 C ATOM 1077 C ALA A 77 -20.655 18.711 12.461 1.00 22.51 C ATOM 1078 O ALA A 77 -20.440 18.361 13.622 1.00 33.34 O ATOM 1079 CB ALA A 77 -19.462 20.433 11.095 1.00 44.00 C ATOM 0 H ALA A 77 -20.419 20.530 14.126 1.00 75.02 H new ATOM 0 HA ALA A 77 -21.547 20.433 11.578 1.00 12.44 H new ATOM 0 HB1 ALA A 77 -19.579 19.790 10.223 1.00 44.00 H new ATOM 0 HB2 ALA A 77 -19.473 21.477 10.780 1.00 44.00 H new ATOM 0 HB3 ALA A 77 -18.513 20.212 11.584 1.00 44.00 H new ATOM 1085 N SER A 78 -20.941 17.852 11.488 1.00 24.21 N ATOM 1086 CA SER A 78 -21.024 16.416 11.734 1.00 53.35 C ATOM 1087 C SER A 78 -20.464 15.630 10.552 1.00 74.43 C ATOM 1088 O SER A 78 -20.810 15.889 9.400 1.00 12.22 O ATOM 1089 CB SER A 78 -22.474 16.005 11.994 1.00 73.33 C ATOM 1090 OG SER A 78 -23.311 17.141 12.127 1.00 54.33 O ATOM 0 H SER A 78 -21.119 18.125 10.522 1.00 24.21 H new ATOM 0 HA SER A 78 -20.426 16.188 12.616 1.00 53.35 H new ATOM 0 HB2 SER A 78 -22.831 15.381 11.175 1.00 73.33 H new ATOM 0 HB3 SER A 78 -22.527 15.402 12.901 1.00 73.33 H new ATOM 0 HG SER A 78 -24.233 16.851 12.291 1.00 54.33 H new ATOM 1096 N VAL A 79 -19.597 14.667 10.849 1.00 54.22 N ATOM 1097 CA VAL A 79 -18.989 13.840 9.813 1.00 3.21 C ATOM 1098 C VAL A 79 -18.681 12.441 10.336 1.00 42.44 C ATOM 1099 O VAL A 79 -18.190 12.280 11.453 1.00 44.14 O ATOM 1100 CB VAL A 79 -17.691 14.474 9.279 1.00 40.34 C ATOM 1101 CG1 VAL A 79 -17.067 13.593 8.207 1.00 25.31 C ATOM 1102 CG2 VAL A 79 -17.963 15.871 8.741 1.00 5.02 C ATOM 0 H VAL A 79 -19.300 14.440 11.798 1.00 54.22 H new ATOM 0 HA VAL A 79 -19.711 13.769 9.000 1.00 3.21 H new ATOM 0 HB VAL A 79 -16.983 14.558 10.103 1.00 40.34 H new ATOM 0 HG11 VAL A 79 -16.151 14.058 7.842 1.00 25.31 H new ATOM 0 HG12 VAL A 79 -16.835 12.615 8.629 1.00 25.31 H new ATOM 0 HG13 VAL A 79 -17.768 13.474 7.381 1.00 25.31 H new ATOM 0 HG21 VAL A 79 -17.035 16.304 8.368 1.00 5.02 H new ATOM 0 HG22 VAL A 79 -18.689 15.814 7.930 1.00 5.02 H new ATOM 0 HG23 VAL A 79 -18.360 16.497 9.540 1.00 5.02 H new ATOM 1112 N SER A 80 -18.971 11.434 9.521 1.00 25.01 N ATOM 1113 CA SER A 80 -18.728 10.048 9.903 1.00 2.24 C ATOM 1114 C SER A 80 -17.842 9.349 8.875 1.00 50.00 C ATOM 1115 O SER A 80 -18.032 9.501 7.668 1.00 72.41 O ATOM 1116 CB SER A 80 -20.053 9.295 10.044 1.00 51.14 C ATOM 1117 OG SER A 80 -21.040 10.111 10.653 1.00 12.30 O ATOM 0 H SER A 80 -19.375 11.551 8.592 1.00 25.01 H new ATOM 0 HA SER A 80 -18.213 10.047 10.864 1.00 2.24 H new ATOM 0 HB2 SER A 80 -20.398 8.973 9.062 1.00 51.14 H new ATOM 0 HB3 SER A 80 -19.902 8.395 10.640 1.00 51.14 H new ATOM 0 HG SER A 80 -21.878 9.608 10.730 1.00 12.30 H new ATOM 1123 N PHE A 81 -16.872 8.582 9.364 1.00 42.13 N ATOM 1124 CA PHE A 81 -15.955 7.861 8.490 1.00 21.44 C ATOM 1125 C PHE A 81 -15.948 6.371 8.820 1.00 22.44 C ATOM 1126 O PHE A 81 -15.909 5.983 9.987 1.00 23.41 O ATOM 1127 CB PHE A 81 -14.541 8.429 8.619 1.00 52.34 C ATOM 1128 CG PHE A 81 -13.849 8.035 9.892 1.00 32.41 C ATOM 1129 CD1 PHE A 81 -13.109 6.864 9.960 1.00 51.33 C ATOM 1130 CD2 PHE A 81 -13.938 8.832 11.021 1.00 44.02 C ATOM 1131 CE1 PHE A 81 -12.473 6.498 11.131 1.00 12.43 C ATOM 1132 CE2 PHE A 81 -13.303 8.471 12.195 1.00 41.42 C ATOM 1133 CZ PHE A 81 -12.568 7.303 12.249 1.00 23.04 C ATOM 0 H PHE A 81 -16.701 8.444 10.360 1.00 42.13 H new ATOM 0 HA PHE A 81 -16.297 7.987 7.463 1.00 21.44 H new ATOM 0 HB2 PHE A 81 -13.944 8.092 7.771 1.00 52.34 H new ATOM 0 HB3 PHE A 81 -14.589 9.516 8.563 1.00 52.34 H new ATOM 0 HD1 PHE A 81 -13.029 6.231 9.088 1.00 51.33 H new ATOM 0 HD2 PHE A 81 -14.511 9.747 10.984 1.00 44.02 H new ATOM 0 HE1 PHE A 81 -11.902 5.582 11.172 1.00 12.43 H new ATOM 0 HE2 PHE A 81 -13.382 9.101 13.068 1.00 41.42 H new ATOM 0 HZ PHE A 81 -12.069 7.020 13.164 1.00 23.04 H new ATOM 1143 N GLY A 82 -15.987 5.540 7.782 1.00 52.15 N ATOM 1144 CA GLY A 82 -15.986 4.102 7.983 1.00 50.34 C ATOM 1145 C GLY A 82 -14.724 3.446 7.457 1.00 43.12 C ATOM 1146 O GLY A 82 -13.914 4.088 6.788 1.00 72.20 O ATOM 0 H GLY A 82 -16.019 5.837 6.807 1.00 52.15 H new ATOM 0 HA2 GLY A 82 -16.088 3.886 9.047 1.00 50.34 H new ATOM 0 HA3 GLY A 82 -16.853 3.668 7.485 1.00 50.34 H new ATOM 1150 N PHE A 83 -14.557 2.164 7.761 1.00 34.33 N ATOM 1151 CA PHE A 83 -13.384 1.419 7.317 1.00 52.04 C ATOM 1152 C PHE A 83 -13.625 -0.085 7.411 1.00 63.14 C ATOM 1153 O PHE A 83 -14.695 -0.527 7.826 1.00 21.12 O ATOM 1154 CB PHE A 83 -12.163 1.804 8.155 1.00 14.41 C ATOM 1155 CG PHE A 83 -12.152 1.180 9.522 1.00 1.20 C ATOM 1156 CD1 PHE A 83 -12.766 1.812 10.591 1.00 0.22 C ATOM 1157 CD2 PHE A 83 -11.528 -0.038 9.736 1.00 72.22 C ATOM 1158 CE1 PHE A 83 -12.759 1.241 11.850 1.00 12.15 C ATOM 1159 CE2 PHE A 83 -11.518 -0.614 10.993 1.00 32.21 C ATOM 1160 CZ PHE A 83 -12.133 0.026 12.050 1.00 61.31 C ATOM 0 H PHE A 83 -15.219 1.619 8.313 1.00 34.33 H new ATOM 0 HA PHE A 83 -13.197 1.674 6.274 1.00 52.04 H new ATOM 0 HB2 PHE A 83 -11.259 1.508 7.622 1.00 14.41 H new ATOM 0 HB3 PHE A 83 -12.131 2.889 8.259 1.00 14.41 H new ATOM 0 HD1 PHE A 83 -13.256 2.762 10.439 1.00 0.22 H new ATOM 0 HD2 PHE A 83 -11.044 -0.543 8.913 1.00 72.22 H new ATOM 0 HE1 PHE A 83 -13.242 1.744 12.675 1.00 12.15 H new ATOM 0 HE2 PHE A 83 -11.029 -1.564 11.148 1.00 32.21 H new ATOM 0 HZ PHE A 83 -12.125 -0.423 13.032 1.00 61.31 H new ATOM 1170 N ASN A 84 -12.621 -0.864 7.022 1.00 23.44 N ATOM 1171 CA ASN A 84 -12.725 -2.318 7.061 1.00 30.23 C ATOM 1172 C ASN A 84 -11.446 -2.940 7.615 1.00 42.24 C ATOM 1173 O ASN A 84 -10.344 -2.607 7.183 1.00 54.43 O ATOM 1174 CB ASN A 84 -13.007 -2.868 5.661 1.00 25.22 C ATOM 1175 CG ASN A 84 -14.491 -2.954 5.362 1.00 43.12 C ATOM 1176 OD1 ASN A 84 -15.326 -2.716 6.235 1.00 43.22 O ATOM 1177 ND2 ASN A 84 -14.827 -3.297 4.124 1.00 1.43 N ATOM 0 H ASN A 84 -11.728 -0.513 6.677 1.00 23.44 H new ATOM 0 HA ASN A 84 -13.552 -2.581 7.721 1.00 30.23 H new ATOM 0 HB2 ASN A 84 -12.526 -2.230 4.919 1.00 25.22 H new ATOM 0 HB3 ASN A 84 -12.562 -3.859 5.566 1.00 25.22 H new ATOM 0 HD21 ASN A 84 -15.811 -3.372 3.865 1.00 1.43 H new ATOM 0 HD22 ASN A 84 -14.101 -3.485 3.432 1.00 1.43 H new ATOM 1184 N GLY A 85 -11.603 -3.847 8.574 1.00 31.33 N ATOM 1185 CA GLY A 85 -10.454 -4.502 9.172 1.00 2.41 C ATOM 1186 C GLY A 85 -10.692 -5.976 9.422 1.00 34.43 C ATOM 1187 O GLY A 85 -11.832 -6.409 9.591 1.00 61.42 O ATOM 0 H GLY A 85 -12.506 -4.140 8.948 1.00 31.33 H new ATOM 0 HA2 GLY A 85 -9.590 -4.383 8.518 1.00 2.41 H new ATOM 0 HA3 GLY A 85 -10.210 -4.012 10.114 1.00 2.41 H new ATOM 1191 N SER A 86 -9.614 -6.754 9.445 1.00 71.24 N ATOM 1192 CA SER A 86 -9.712 -8.191 9.672 1.00 14.25 C ATOM 1193 C SER A 86 -9.593 -8.516 11.157 1.00 25.10 C ATOM 1194 O SER A 86 -8.562 -8.265 11.779 1.00 21.44 O ATOM 1195 CB SER A 86 -8.622 -8.927 8.889 1.00 51.32 C ATOM 1196 OG SER A 86 -8.868 -10.322 8.862 1.00 32.23 O ATOM 0 H SER A 86 -8.662 -6.413 9.309 1.00 71.24 H new ATOM 0 HA SER A 86 -10.689 -8.523 9.322 1.00 14.25 H new ATOM 0 HB2 SER A 86 -8.579 -8.542 7.870 1.00 51.32 H new ATOM 0 HB3 SER A 86 -7.650 -8.735 9.344 1.00 51.32 H new ATOM 0 HG SER A 86 -8.159 -10.769 8.355 1.00 32.23 H new ATOM 1202 N GLY A 87 -10.660 -9.076 11.720 1.00 23.31 N ATOM 1203 CA GLY A 87 -10.657 -9.427 13.129 1.00 42.51 C ATOM 1204 C GLY A 87 -12.049 -9.432 13.728 1.00 23.34 C ATOM 1205 O GLY A 87 -13.053 -9.499 13.018 1.00 45.15 O ATOM 0 H GLY A 87 -11.526 -9.293 11.226 1.00 23.31 H new ATOM 0 HA2 GLY A 87 -10.208 -10.412 13.254 1.00 42.51 H new ATOM 0 HA3 GLY A 87 -10.032 -8.720 13.675 1.00 42.51 H new ATOM 1209 N PRO A 88 -12.123 -9.364 15.065 1.00 30.30 N ATOM 1210 CA PRO A 88 -13.398 -9.361 15.789 1.00 13.53 C ATOM 1211 C PRO A 88 -14.179 -8.068 15.582 1.00 73.14 C ATOM 1212 O PRO A 88 -15.384 -8.092 15.333 1.00 15.34 O ATOM 1213 CB PRO A 88 -12.975 -9.502 17.253 1.00 55.23 C ATOM 1214 CG PRO A 88 -11.590 -8.953 17.302 1.00 0.22 C ATOM 1215 CD PRO A 88 -10.966 -9.283 15.974 1.00 24.44 C ATOM 0 HA PRO A 88 -14.064 -10.153 15.445 1.00 13.53 H new ATOM 0 HB2 PRO A 88 -13.643 -8.949 17.913 1.00 55.23 H new ATOM 0 HB3 PRO A 88 -13.000 -10.543 17.574 1.00 55.23 H new ATOM 0 HG2 PRO A 88 -11.603 -7.876 17.470 1.00 0.22 H new ATOM 0 HG3 PRO A 88 -11.023 -9.397 18.120 1.00 0.22 H new ATOM 0 HD2 PRO A 88 -10.260 -8.514 15.659 1.00 24.44 H new ATOM 0 HD3 PRO A 88 -10.417 -10.224 16.011 1.00 24.44 H new ATOM 1223 N GLY A 89 -13.484 -6.939 15.687 1.00 63.35 N ATOM 1224 CA GLY A 89 -14.130 -5.651 15.508 1.00 21.01 C ATOM 1225 C GLY A 89 -14.534 -5.018 16.825 1.00 13.51 C ATOM 1226 O GLY A 89 -15.484 -4.238 16.880 1.00 23.33 O ATOM 0 H GLY A 89 -12.486 -6.893 15.893 1.00 63.35 H new ATOM 0 HA2 GLY A 89 -13.455 -4.980 14.978 1.00 21.01 H new ATOM 0 HA3 GLY A 89 -15.013 -5.775 14.882 1.00 21.01 H new ATOM 1230 N SER A 90 -13.809 -5.353 17.888 1.00 73.03 N ATOM 1231 CA SER A 90 -14.100 -4.815 19.212 1.00 3.42 C ATOM 1232 C SER A 90 -12.984 -3.885 19.678 1.00 35.42 C ATOM 1233 O SER A 90 -12.165 -4.236 20.529 1.00 40.01 O ATOM 1234 CB SER A 90 -14.287 -5.952 20.218 1.00 5.54 C ATOM 1235 OG SER A 90 -14.945 -5.496 21.387 1.00 25.10 O ATOM 0 H SER A 90 -13.016 -5.994 17.858 1.00 73.03 H new ATOM 0 HA SER A 90 -15.024 -4.241 19.149 1.00 3.42 H new ATOM 0 HB2 SER A 90 -14.866 -6.755 19.761 1.00 5.54 H new ATOM 0 HB3 SER A 90 -13.316 -6.370 20.483 1.00 5.54 H new ATOM 0 HG SER A 90 -15.054 -6.242 22.013 1.00 25.10 H new ATOM 1241 N PRO A 91 -12.947 -2.672 19.108 1.00 4.02 N ATOM 1242 CA PRO A 91 -11.937 -1.667 19.450 1.00 23.02 C ATOM 1243 C PRO A 91 -12.127 -1.108 20.856 1.00 20.22 C ATOM 1244 O PRO A 91 -13.179 -1.289 21.469 1.00 75.10 O ATOM 1245 CB PRO A 91 -12.160 -0.570 18.404 1.00 71.41 C ATOM 1246 CG PRO A 91 -13.586 -0.718 17.999 1.00 70.35 C ATOM 1247 CD PRO A 91 -13.892 -2.187 18.087 1.00 34.13 C ATOM 0 HA PRO A 91 -10.930 -2.084 19.444 1.00 23.02 H new ATOM 0 HB2 PRO A 91 -11.967 0.419 18.820 1.00 71.41 H new ATOM 0 HB3 PRO A 91 -11.491 -0.693 17.552 1.00 71.41 H new ATOM 0 HG2 PRO A 91 -14.240 -0.143 18.655 1.00 70.35 H new ATOM 0 HG3 PRO A 91 -13.745 -0.346 16.987 1.00 70.35 H new ATOM 0 HD2 PRO A 91 -14.927 -2.365 18.380 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -13.741 -2.687 17.130 1.00 34.13 H new ATOM 1255 N SER A 92 -11.102 -0.429 21.361 1.00 30.32 N ATOM 1256 CA SER A 92 -11.156 0.153 22.697 1.00 55.45 C ATOM 1257 C SER A 92 -10.323 1.429 22.767 1.00 44.41 C ATOM 1258 O SER A 92 -9.756 1.870 21.768 1.00 33.24 O ATOM 1259 CB SER A 92 -10.654 -0.853 23.735 1.00 30.34 C ATOM 1260 OG SER A 92 -9.297 -1.190 23.506 1.00 2.55 O ATOM 0 H SER A 92 -10.225 -0.268 20.866 1.00 30.32 H new ATOM 0 HA SER A 92 -12.194 0.404 22.916 1.00 55.45 H new ATOM 0 HB2 SER A 92 -10.764 -0.433 24.735 1.00 30.34 H new ATOM 0 HB3 SER A 92 -11.267 -1.754 23.698 1.00 30.34 H new ATOM 0 HG SER A 92 -9.001 -1.833 24.184 1.00 2.55 H new ATOM 1266 N ASN A 93 -10.255 2.020 23.956 1.00 21.01 N ATOM 1267 CA ASN A 93 -9.493 3.247 24.157 1.00 74.20 C ATOM 1268 C ASN A 93 -9.888 4.307 23.133 1.00 74.31 C ATOM 1269 O ASN A 93 -9.058 4.760 22.342 1.00 62.43 O ATOM 1270 CB ASN A 93 -7.993 2.962 24.061 1.00 70.21 C ATOM 1271 CG ASN A 93 -7.405 2.504 25.383 1.00 1.23 C ATOM 1272 OD1 ASN A 93 -6.891 1.392 25.493 1.00 33.52 O ATOM 1273 ND2 ASN A 93 -7.480 3.363 26.392 1.00 44.34 N ATOM 0 H ASN A 93 -10.718 1.669 24.794 1.00 21.01 H new ATOM 0 HA ASN A 93 -9.720 3.627 25.153 1.00 74.20 H new ATOM 0 HB2 ASN A 93 -7.819 2.197 23.305 1.00 70.21 H new ATOM 0 HB3 ASN A 93 -7.476 3.862 23.729 1.00 70.21 H new ATOM 0 HD21 ASN A 93 -7.102 3.111 27.305 1.00 44.34 H new ATOM 0 HD22 ASN A 93 -7.916 4.275 26.254 1.00 44.34 H new ATOM 1280 N CYS A 94 -11.156 4.698 23.154 1.00 65.00 N ATOM 1281 CA CYS A 94 -11.661 5.705 22.227 1.00 24.42 C ATOM 1282 C CYS A 94 -11.228 7.104 22.654 1.00 73.42 C ATOM 1283 O CYS A 94 -11.753 7.661 23.619 1.00 12.12 O ATOM 1284 CB CYS A 94 -13.187 5.633 22.145 1.00 50.31 C ATOM 1285 SG CYS A 94 -13.835 3.964 21.891 1.00 4.32 S ATOM 0 H CYS A 94 -11.854 4.334 23.802 1.00 65.00 H new ATOM 0 HA CYS A 94 -11.241 5.500 21.242 1.00 24.42 H new ATOM 0 HB2 CYS A 94 -13.609 6.039 23.064 1.00 50.31 H new ATOM 0 HB3 CYS A 94 -13.527 6.271 21.329 1.00 50.31 H new ATOM 0 HG CYS A 94 -15.133 4.006 21.837 1.00 4.32 H new ATOM 1291 N LYS A 95 -10.266 7.666 21.932 1.00 13.41 N ATOM 1292 CA LYS A 95 -9.760 8.999 22.234 1.00 60.33 C ATOM 1293 C LYS A 95 -9.554 9.807 20.956 1.00 32.50 C ATOM 1294 O LYS A 95 -9.162 9.263 19.924 1.00 44.30 O ATOM 1295 CB LYS A 95 -8.443 8.905 23.008 1.00 31.41 C ATOM 1296 CG LYS A 95 -7.265 8.472 22.153 1.00 1.43 C ATOM 1297 CD LYS A 95 -6.519 7.306 22.779 1.00 44.33 C ATOM 1298 CE LYS A 95 -5.394 7.786 23.683 1.00 54.01 C ATOM 1299 NZ LYS A 95 -4.056 7.409 23.152 1.00 34.24 N ATOM 0 H LYS A 95 -9.820 7.218 21.132 1.00 13.41 H new ATOM 0 HA LYS A 95 -10.501 9.509 22.850 1.00 60.33 H new ATOM 0 HB2 LYS A 95 -8.222 9.876 23.452 1.00 31.41 H new ATOM 0 HB3 LYS A 95 -8.564 8.199 23.830 1.00 31.41 H new ATOM 0 HG2 LYS A 95 -7.619 8.188 21.162 1.00 1.43 H new ATOM 0 HG3 LYS A 95 -6.583 9.312 22.020 1.00 1.43 H new ATOM 0 HD2 LYS A 95 -7.214 6.695 23.354 1.00 44.33 H new ATOM 0 HD3 LYS A 95 -6.110 6.670 21.994 1.00 44.33 H new ATOM 0 HE2 LYS A 95 -5.450 8.869 23.789 1.00 54.01 H new ATOM 0 HE3 LYS A 95 -5.522 7.361 24.679 1.00 54.01 H new ATOM 0 HZ1 LYS A 95 -3.317 7.754 23.797 1.00 34.24 H new ATOM 0 HZ2 LYS A 95 -3.992 6.374 23.075 1.00 34.24 H new ATOM 0 HZ3 LYS A 95 -3.923 7.835 22.213 1.00 34.24 H new ATOM 1313 N LEU A 96 -9.820 11.106 21.034 1.00 41.42 N ATOM 1314 CA LEU A 96 -9.662 11.989 19.883 1.00 73.34 C ATOM 1315 C LEU A 96 -9.376 13.420 20.330 1.00 34.52 C ATOM 1316 O LEU A 96 -9.721 13.813 21.443 1.00 71.22 O ATOM 1317 CB LEU A 96 -10.920 11.956 19.015 1.00 13.23 C ATOM 1318 CG LEU A 96 -12.240 12.243 19.732 1.00 60.14 C ATOM 1319 CD1 LEU A 96 -12.488 13.742 19.814 1.00 74.21 C ATOM 1320 CD2 LEU A 96 -13.394 11.548 19.024 1.00 31.20 C ATOM 0 H LEU A 96 -10.146 11.571 21.881 1.00 41.42 H new ATOM 0 HA LEU A 96 -8.814 11.634 19.297 1.00 73.34 H new ATOM 0 HB2 LEU A 96 -10.801 12.682 18.211 1.00 13.23 H new ATOM 0 HB3 LEU A 96 -10.989 10.973 18.549 1.00 13.23 H new ATOM 0 HG LEU A 96 -12.173 11.850 20.747 1.00 60.14 H new ATOM 0 HD11 LEU A 96 -13.432 13.927 20.327 1.00 74.21 H new ATOM 0 HD12 LEU A 96 -11.676 14.216 20.366 1.00 74.21 H new ATOM 0 HD13 LEU A 96 -12.534 14.159 18.808 1.00 74.21 H new ATOM 0 HD21 LEU A 96 -14.325 11.763 19.548 1.00 31.20 H new ATOM 0 HD22 LEU A 96 -13.463 11.910 17.998 1.00 31.20 H new ATOM 0 HD23 LEU A 96 -13.222 10.472 19.018 1.00 31.20 H new ATOM 1332 N ASN A 97 -8.745 14.192 19.453 1.00 44.31 N ATOM 1333 CA ASN A 97 -8.414 15.580 19.756 1.00 22.41 C ATOM 1334 C ASN A 97 -7.389 15.662 20.883 1.00 35.23 C ATOM 1335 O ASN A 97 -7.515 16.479 21.794 1.00 53.11 O ATOM 1336 CB ASN A 97 -9.676 16.354 20.143 1.00 54.42 C ATOM 1337 CG ASN A 97 -9.523 17.849 19.938 1.00 22.22 C ATOM 1338 OD1 ASN A 97 -9.700 18.356 18.830 1.00 23.35 O ATOM 1339 ND2 ASN A 97 -9.190 18.563 21.007 1.00 24.34 N ATOM 0 H ASN A 97 -8.452 13.881 18.527 1.00 44.31 H new ATOM 0 HA ASN A 97 -7.981 16.027 18.861 1.00 22.41 H new ATOM 0 HB2 ASN A 97 -10.516 15.993 19.550 1.00 54.42 H new ATOM 0 HB3 ASN A 97 -9.914 16.156 21.188 1.00 54.42 H new ATOM 0 HD21 ASN A 97 -9.071 19.573 20.929 1.00 24.34 H new ATOM 0 HD22 ASN A 97 -9.053 18.101 21.906 1.00 24.34 H new ATOM 1346 N GLY A 98 -6.372 14.807 20.813 1.00 72.45 N ATOM 1347 CA GLY A 98 -5.340 14.798 21.833 1.00 74.52 C ATOM 1348 C GLY A 98 -5.837 14.253 23.157 1.00 70.31 C ATOM 1349 O GLY A 98 -5.523 14.793 24.217 1.00 42.12 O ATOM 0 H GLY A 98 -6.245 14.121 20.069 1.00 72.45 H new ATOM 0 HA2 GLY A 98 -4.499 14.196 21.489 1.00 74.52 H new ATOM 0 HA3 GLY A 98 -4.968 15.812 21.978 1.00 74.52 H new ATOM 1353 N GLY A 99 -6.617 13.178 23.097 1.00 63.52 N ATOM 1354 CA GLY A 99 -7.149 12.578 24.308 1.00 40.34 C ATOM 1355 C GLY A 99 -8.392 13.286 24.808 1.00 24.42 C ATOM 1356 O GLY A 99 -8.358 13.967 25.833 1.00 53.20 O ATOM 0 H GLY A 99 -6.890 12.712 22.232 1.00 63.52 H new ATOM 0 HA2 GLY A 99 -7.383 11.530 24.118 1.00 40.34 H new ATOM 0 HA3 GLY A 99 -6.385 12.598 25.086 1.00 40.34 H new ATOM 1360 N SER A 100 -9.495 13.126 24.083 1.00 50.41 N ATOM 1361 CA SER A 100 -10.754 13.760 24.456 1.00 3.24 C ATOM 1362 C SER A 100 -11.939 13.004 23.863 1.00 13.24 C ATOM 1363 O SER A 100 -12.219 13.103 22.668 1.00 55.35 O ATOM 1364 CB SER A 100 -10.776 15.215 23.985 1.00 5.52 C ATOM 1365 OG SER A 100 -9.544 15.859 24.260 1.00 20.20 O ATOM 0 H SER A 100 -9.542 12.563 23.234 1.00 50.41 H new ATOM 0 HA SER A 100 -10.836 13.736 25.543 1.00 3.24 H new ATOM 0 HB2 SER A 100 -10.978 15.251 22.914 1.00 5.52 H new ATOM 0 HB3 SER A 100 -11.587 15.749 24.480 1.00 5.52 H new ATOM 0 HG SER A 100 -9.043 15.976 23.426 1.00 20.20 H new ATOM 1371 N CYS A 101 -12.631 12.247 24.707 1.00 31.33 N ATOM 1372 CA CYS A 101 -13.786 11.471 24.268 1.00 61.03 C ATOM 1373 C CYS A 101 -14.834 11.383 25.373 1.00 35.14 C ATOM 1374 O CYS A 101 -14.552 10.903 26.471 1.00 70.41 O ATOM 1375 CB CYS A 101 -13.354 10.067 23.845 1.00 14.31 C ATOM 1376 SG CYS A 101 -13.785 9.643 22.141 1.00 23.04 S ATOM 0 H CYS A 101 -12.413 12.154 25.699 1.00 31.33 H new ATOM 0 HA CYS A 101 -14.229 11.979 23.412 1.00 61.03 H new ATOM 0 HB2 CYS A 101 -12.275 9.978 23.968 1.00 14.31 H new ATOM 0 HB3 CYS A 101 -13.812 9.340 24.516 1.00 14.31 H new ATOM 0 HG CYS A 101 -13.570 8.376 21.941 1.00 23.04 H new ATOM 1382 N ASP A 102 -16.041 11.850 25.075 1.00 73.51 N ATOM 1383 CA ASP A 102 -17.131 11.823 26.044 1.00 45.05 C ATOM 1384 C ASP A 102 -18.201 10.818 25.631 1.00 43.21 C ATOM 1385 O ASP A 102 -18.639 10.799 24.482 1.00 3.20 O ATOM 1386 CB ASP A 102 -17.750 13.216 26.186 1.00 14.53 C ATOM 1387 CG ASP A 102 -17.826 13.671 27.630 1.00 72.22 C ATOM 1388 OD1 ASP A 102 -18.351 12.905 28.467 1.00 42.31 O ATOM 1389 OD2 ASP A 102 -17.360 14.791 27.924 1.00 22.04 O ATOM 0 H ASP A 102 -16.290 12.252 24.171 1.00 73.51 H new ATOM 0 HA ASP A 102 -16.721 11.515 27.006 1.00 45.05 H new ATOM 0 HB2 ASP A 102 -17.161 13.932 25.613 1.00 14.53 H new ATOM 0 HB3 ASP A 102 -18.752 13.211 25.756 1.00 14.53 H new ATOM 1394 N GLY A 103 -18.618 9.982 26.577 1.00 13.13 N ATOM 1395 CA GLY A 103 -19.632 8.984 26.292 1.00 50.13 C ATOM 1396 C GLY A 103 -19.085 7.810 25.504 1.00 31.21 C ATOM 1397 O GLY A 103 -19.802 7.194 24.715 1.00 13.11 O ATOM 0 H GLY A 103 -18.271 9.978 27.536 1.00 13.13 H new ATOM 0 HA2 GLY A 103 -20.055 8.623 27.229 1.00 50.13 H new ATOM 0 HA3 GLY A 103 -20.445 9.446 25.732 1.00 50.13 H new ATOM 1401 N THR A 104 -17.811 7.498 25.718 1.00 54.53 N ATOM 1402 CA THR A 104 -17.166 6.393 25.021 1.00 30.31 C ATOM 1403 C THR A 104 -15.926 5.920 25.768 1.00 33.45 C ATOM 1404 O THR A 104 -15.458 6.580 26.696 1.00 51.51 O ATOM 1405 CB THR A 104 -16.768 6.789 23.586 1.00 72.01 C ATOM 1406 OG1 THR A 104 -16.950 8.197 23.398 1.00 60.21 O ATOM 1407 CG2 THR A 104 -17.595 6.024 22.565 1.00 12.52 C ATOM 0 H THR A 104 -17.205 7.996 26.370 1.00 54.53 H new ATOM 0 HA THR A 104 -17.892 5.581 24.978 1.00 30.31 H new ATOM 0 HB THR A 104 -15.718 6.537 23.441 1.00 72.01 H new ATOM 0 HG1 THR A 104 -17.284 8.366 22.492 1.00 60.21 H new ATOM 0 HG21 THR A 104 -17.296 6.320 21.559 1.00 12.52 H new ATOM 0 HG22 THR A 104 -17.431 4.954 22.692 1.00 12.52 H new ATOM 0 HG23 THR A 104 -18.652 6.249 22.711 1.00 12.52 H new ATOM 1415 N SER A 105 -15.396 4.771 25.360 1.00 15.53 N ATOM 1416 CA SER A 105 -14.210 4.207 25.993 1.00 42.31 C ATOM 1417 C SER A 105 -13.668 3.032 25.185 1.00 25.12 C ATOM 1418 O SER A 105 -12.583 2.523 25.461 1.00 52.13 O ATOM 1419 CB SER A 105 -14.534 3.754 27.418 1.00 74.04 C ATOM 1420 OG SER A 105 -13.393 3.198 28.048 1.00 51.04 O ATOM 0 H SER A 105 -15.770 4.212 24.593 1.00 15.53 H new ATOM 0 HA SER A 105 -13.445 4.983 26.030 1.00 42.31 H new ATOM 0 HB2 SER A 105 -14.897 4.602 27.999 1.00 74.04 H new ATOM 0 HB3 SER A 105 -15.336 3.016 27.395 1.00 74.04 H new ATOM 0 HG SER A 105 -12.777 2.857 27.367 1.00 51.04 H new TER 1426 SER A 105