USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 631 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 26 GLN : amide:sc= -0.0359 K(o=-0.036,f=-3.4!) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -103:sc= 1.09 (180deg=-0.109) USER MOD Single : A 3 SER OG : rot 180:sc= 0.01 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00912) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -129:sc= 1.27 (180deg=0.079) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= -0.0079 (180deg=-0.266) USER MOD Single : A 19 LYS NZ :NH3+ -106:sc= 1.25 (180deg=-0.767) USER MOD Single : A 22 LYS NZ :NH3+ -140:sc= 1.3 (180deg=-0.579) USER MOD Single : A 24 SER OG : rot -39:sc= 0.831 USER MOD Single : A 25 SER OG : rot 180:sc= -0.117 USER MOD Single : A 34 GLN : amide:sc= -0.665 K(o=-0.66,f=-0.056) USER MOD Single : A 36 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : A 42 ASN : amide:sc= 0.492 K(o=0.49,f=-4.6!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0467 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -0.0163 (180deg=-0.18) USER MOD Single : A 49 MET CE :methyl -154:sc= -0.378 (180deg=-3.22) USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.794 USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= -0.069 (180deg=-0.42) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00583 USER MOD Single : A 60 ASN : amide:sc= 0.938 K(o=0.94,f=-8.4!) USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00106) USER MOD Single : A 63 MET CE :methyl -176:sc= 0 (180deg=-0.013) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -15:sc= -0.971 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.256 USER MOD Single : A 78 THR OG1 : rot 59:sc= 0.0983 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.641 9.459 12.930 1.00 10.84 N ATOM 2 CA MET A 1 -20.479 8.690 12.415 1.00 10.16 C ATOM 3 C MET A 1 -20.927 7.701 11.333 1.00 9.27 C ATOM 4 O MET A 1 -20.968 6.490 11.569 1.00 9.22 O ATOM 5 CB MET A 1 -19.818 7.942 13.592 1.00 10.59 C ATOM 6 CG MET A 1 -19.369 8.848 14.734 1.00 11.48 C ATOM 7 SD MET A 1 -20.663 9.118 15.962 1.00 11.94 S ATOM 8 CE MET A 1 -20.406 7.716 17.050 1.00 12.56 C ATOM 0 H1 MET A 1 -21.635 10.414 12.519 1.00 10.84 H new ATOM 0 H2 MET A 1 -22.523 8.974 12.666 1.00 10.84 H new ATOM 0 H3 MET A 1 -21.580 9.528 13.966 1.00 10.84 H new ATOM 0 HA MET A 1 -19.758 9.373 11.965 1.00 10.16 H new ATOM 0 HB2 MET A 1 -20.522 7.206 13.982 1.00 10.59 H new ATOM 0 HB3 MET A 1 -18.955 7.391 13.219 1.00 10.59 H new ATOM 0 HG2 MET A 1 -18.499 8.407 15.221 1.00 11.48 H new ATOM 0 HG3 MET A 1 -19.054 9.809 14.327 1.00 11.48 H new ATOM 0 HE1 MET A 1 -21.134 7.746 17.861 1.00 12.56 H new ATOM 0 HE2 MET A 1 -20.529 6.791 16.487 1.00 12.56 H new ATOM 0 HE3 MET A 1 -19.399 7.757 17.465 1.00 12.56 H new ATOM 20 N ARG A 2 -21.289 8.230 10.158 1.00 8.82 N ATOM 21 CA ARG A 2 -21.759 7.410 9.034 1.00 8.17 C ATOM 22 C ARG A 2 -21.100 7.850 7.726 1.00 7.58 C ATOM 23 O ARG A 2 -21.532 8.819 7.099 1.00 7.72 O ATOM 24 CB ARG A 2 -23.289 7.511 8.904 1.00 8.58 C ATOM 25 CG ARG A 2 -24.044 7.085 10.157 1.00 9.29 C ATOM 26 CD ARG A 2 -25.528 6.881 9.874 1.00 9.46 C ATOM 27 NE ARG A 2 -25.775 5.682 9.071 1.00 9.75 N ATOM 28 CZ ARG A 2 -26.987 5.271 8.688 1.00 10.18 C ATOM 29 NH1 ARG A 2 -28.068 5.962 9.038 1.00 10.36 N ATOM 30 NH2 ARG A 2 -27.111 4.172 7.962 1.00 10.67 N ATOM 0 H ARG A 2 -21.265 9.230 9.960 1.00 8.82 H new ATOM 0 HA ARG A 2 -21.483 6.374 9.232 1.00 8.17 H new ATOM 0 HB2 ARG A 2 -23.556 8.540 8.663 1.00 8.58 H new ATOM 0 HB3 ARG A 2 -23.614 6.893 8.068 1.00 8.58 H new ATOM 0 HG2 ARG A 2 -23.616 6.160 10.544 1.00 9.29 H new ATOM 0 HG3 ARG A 2 -23.921 7.842 10.932 1.00 9.29 H new ATOM 0 HD2 ARG A 2 -26.069 6.803 10.817 1.00 9.46 H new ATOM 0 HD3 ARG A 2 -25.921 7.754 9.352 1.00 9.46 H new ATOM 0 HE ARG A 2 -24.970 5.125 8.786 1.00 9.75 H new ATOM 0 HH11 ARG A 2 -27.973 6.808 9.600 1.00 10.36 H new ATOM 0 HH12 ARG A 2 -28.992 5.646 8.744 1.00 10.36 H new ATOM 0 HH21 ARG A 2 -26.282 3.640 7.696 1.00 10.67 H new ATOM 0 HH22 ARG A 2 -28.035 3.856 7.668 1.00 10.67 H new ATOM 44 N SER A 3 -20.054 7.131 7.320 1.00 7.20 N ATOM 45 CA SER A 3 -19.338 7.421 6.072 1.00 6.89 C ATOM 46 C SER A 3 -19.865 6.548 4.927 1.00 5.94 C ATOM 47 O SER A 3 -20.056 7.032 3.809 1.00 6.02 O ATOM 48 CB SER A 3 -17.817 7.216 6.244 1.00 7.63 C ATOM 49 OG SER A 3 -17.517 6.084 7.056 1.00 8.43 O ATOM 0 H SER A 3 -19.679 6.337 7.840 1.00 7.20 H new ATOM 0 HA SER A 3 -19.516 8.467 5.822 1.00 6.89 H new ATOM 0 HB2 SER A 3 -17.355 7.091 5.264 1.00 7.63 H new ATOM 0 HB3 SER A 3 -17.380 8.109 6.691 1.00 7.63 H new ATOM 0 HG SER A 3 -16.545 5.989 7.138 1.00 8.43 H new ATOM 55 N SER A 4 -20.086 5.259 5.216 1.00 5.38 N ATOM 56 CA SER A 4 -20.543 4.287 4.212 1.00 4.74 C ATOM 57 C SER A 4 -19.455 4.082 3.152 1.00 4.08 C ATOM 58 O SER A 4 -19.562 4.573 2.026 1.00 4.43 O ATOM 59 CB SER A 4 -21.874 4.728 3.569 1.00 5.40 C ATOM 60 OG SER A 4 -22.838 5.068 4.558 1.00 6.32 O ATOM 0 H SER A 4 -19.954 4.862 6.146 1.00 5.38 H new ATOM 0 HA SER A 4 -20.728 3.335 4.710 1.00 4.74 H new ATOM 0 HB2 SER A 4 -21.700 5.585 2.918 1.00 5.40 H new ATOM 0 HB3 SER A 4 -22.261 3.925 2.942 1.00 5.40 H new ATOM 0 HG SER A 4 -23.671 5.345 4.122 1.00 6.32 H new ATOM 66 N ALA A 5 -18.362 3.435 3.561 1.00 3.63 N ATOM 67 CA ALA A 5 -17.201 3.226 2.694 1.00 3.45 C ATOM 68 C ALA A 5 -17.314 1.933 1.884 1.00 2.57 C ATOM 69 O ALA A 5 -17.055 0.845 2.406 1.00 2.77 O ATOM 70 CB ALA A 5 -15.928 3.211 3.536 1.00 4.25 C ATOM 0 H ALA A 5 -18.257 3.043 4.497 1.00 3.63 H new ATOM 0 HA ALA A 5 -17.163 4.051 1.982 1.00 3.45 H new ATOM 0 HB1 ALA A 5 -15.065 3.055 2.888 1.00 4.25 H new ATOM 0 HB2 ALA A 5 -15.824 4.163 4.056 1.00 4.25 H new ATOM 0 HB3 ALA A 5 -15.984 2.404 4.266 1.00 4.25 H new ATOM 76 N LYS A 6 -17.647 2.060 0.595 1.00 2.17 N ATOM 77 CA LYS A 6 -17.721 0.902 -0.302 1.00 1.92 C ATOM 78 C LYS A 6 -16.314 0.540 -0.799 1.00 1.64 C ATOM 79 O LYS A 6 -15.868 1.001 -1.855 1.00 2.32 O ATOM 80 CB LYS A 6 -18.665 1.174 -1.484 1.00 2.86 C ATOM 81 CG LYS A 6 -20.133 0.894 -1.168 1.00 3.45 C ATOM 82 CD LYS A 6 -20.656 1.783 -0.047 1.00 4.36 C ATOM 83 CE LYS A 6 -22.179 1.754 0.030 1.00 5.20 C ATOM 84 NZ LYS A 6 -22.709 0.388 0.288 1.00 5.61 N ATOM 0 H LYS A 6 -17.869 2.951 0.150 1.00 2.17 H new ATOM 0 HA LYS A 6 -18.128 0.058 0.254 1.00 1.92 H new ATOM 0 HB2 LYS A 6 -18.560 2.215 -1.791 1.00 2.86 H new ATOM 0 HB3 LYS A 6 -18.360 0.559 -2.331 1.00 2.86 H new ATOM 0 HG2 LYS A 6 -20.733 1.051 -2.064 1.00 3.45 H new ATOM 0 HG3 LYS A 6 -20.250 -0.152 -0.885 1.00 3.45 H new ATOM 0 HD2 LYS A 6 -20.237 1.454 0.904 1.00 4.36 H new ATOM 0 HD3 LYS A 6 -20.319 2.807 -0.207 1.00 4.36 H new ATOM 0 HE2 LYS A 6 -22.513 2.425 0.821 1.00 5.20 H new ATOM 0 HE3 LYS A 6 -22.594 2.131 -0.904 1.00 5.20 H new ATOM 0 HZ1 LYS A 6 -23.742 0.432 0.399 1.00 5.61 H new ATOM 0 HZ2 LYS A 6 -22.473 -0.233 -0.512 1.00 5.61 H new ATOM 0 HZ3 LYS A 6 -22.283 0.009 1.158 1.00 5.61 H new ATOM 98 N GLN A 7 -15.605 -0.219 0.029 1.00 1.12 N ATOM 99 CA GLN A 7 -14.240 -0.674 -0.244 1.00 0.87 C ATOM 100 C GLN A 7 -13.187 0.453 -0.191 1.00 0.74 C ATOM 101 O GLN A 7 -12.041 0.252 -0.605 1.00 0.75 O ATOM 102 CB GLN A 7 -14.167 -1.413 -1.579 1.00 1.05 C ATOM 103 CG GLN A 7 -13.037 -2.427 -1.613 1.00 1.31 C ATOM 104 CD GLN A 7 -13.513 -3.864 -1.454 1.00 1.15 C ATOM 105 OE1 GLN A 7 -14.030 -4.464 -2.395 1.00 1.76 O ATOM 106 NE2 GLN A 7 -13.353 -4.415 -0.258 1.00 1.09 N ATOM 0 H GLN A 7 -15.966 -0.543 0.926 1.00 1.12 H new ATOM 0 HA GLN A 7 -13.990 -1.363 0.563 1.00 0.87 H new ATOM 0 HB2 GLN A 7 -15.114 -1.921 -1.763 1.00 1.05 H new ATOM 0 HB3 GLN A 7 -14.030 -0.692 -2.385 1.00 1.05 H new ATOM 0 HG2 GLN A 7 -12.501 -2.332 -2.557 1.00 1.31 H new ATOM 0 HG3 GLN A 7 -12.327 -2.197 -0.818 1.00 1.31 H new ATOM 0 HE21 GLN A 7 -12.919 -3.882 0.495 1.00 1.09 H new ATOM 0 HE22 GLN A 7 -13.664 -5.372 -0.092 1.00 1.09 H new ATOM 115 N GLU A 8 -13.552 1.611 0.365 1.00 0.74 N ATOM 116 CA GLU A 8 -12.601 2.717 0.540 1.00 0.76 C ATOM 117 C GLU A 8 -11.723 2.507 1.787 1.00 0.68 C ATOM 118 O GLU A 8 -10.815 3.296 2.043 1.00 0.98 O ATOM 119 CB GLU A 8 -13.337 4.064 0.672 1.00 0.92 C ATOM 120 CG GLU A 8 -14.440 4.294 -0.356 1.00 1.50 C ATOM 121 CD GLU A 8 -15.022 5.691 -0.268 1.00 1.93 C ATOM 122 OE1 GLU A 8 -15.958 5.893 0.523 1.00 2.24 O ATOM 123 OE2 GLU A 8 -14.491 6.601 -0.932 1.00 2.61 O ATOM 0 H GLU A 8 -14.494 1.809 0.701 1.00 0.74 H new ATOM 0 HA GLU A 8 -11.967 2.734 -0.347 1.00 0.76 H new ATOM 0 HB2 GLU A 8 -13.771 4.129 1.670 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -12.608 4.870 0.588 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -14.041 4.131 -1.357 1.00 1.50 H new ATOM 0 HG3 GLU A 8 -15.233 3.562 -0.206 1.00 1.50 H new ATOM 130 N GLU A 9 -12.042 1.483 2.588 1.00 0.41 N ATOM 131 CA GLU A 9 -11.305 1.189 3.829 1.00 0.38 C ATOM 132 C GLU A 9 -10.018 0.443 3.515 1.00 0.34 C ATOM 133 O GLU A 9 -8.962 0.728 4.086 1.00 0.43 O ATOM 134 CB GLU A 9 -12.181 0.388 4.799 1.00 0.42 C ATOM 135 CG GLU A 9 -13.396 1.172 5.283 1.00 0.62 C ATOM 136 CD GLU A 9 -13.042 2.255 6.284 1.00 1.46 C ATOM 137 OE1 GLU A 9 -12.667 1.909 7.421 1.00 2.23 O ATOM 138 OE2 GLU A 9 -13.109 3.447 5.923 1.00 2.19 O ATOM 0 H GLU A 9 -12.810 0.839 2.399 1.00 0.41 H new ATOM 0 HA GLU A 9 -11.044 2.131 4.311 1.00 0.38 H new ATOM 0 HB2 GLU A 9 -12.516 -0.526 4.309 1.00 0.42 H new ATOM 0 HB3 GLU A 9 -11.582 0.088 5.659 1.00 0.42 H new ATOM 0 HG2 GLU A 9 -13.894 1.626 4.426 1.00 0.62 H new ATOM 0 HG3 GLU A 9 -14.108 0.483 5.738 1.00 0.62 H new ATOM 145 N LEU A 10 -10.110 -0.458 2.536 1.00 0.28 N ATOM 146 CA LEU A 10 -8.948 -1.177 2.017 1.00 0.29 C ATOM 147 C LEU A 10 -7.941 -0.175 1.440 1.00 0.26 C ATOM 148 O LEU A 10 -6.733 -0.394 1.491 1.00 0.30 O ATOM 149 CB LEU A 10 -9.403 -2.194 0.954 1.00 0.35 C ATOM 150 CG LEU A 10 -8.314 -2.756 0.032 1.00 0.35 C ATOM 151 CD1 LEU A 10 -7.211 -3.423 0.846 1.00 0.60 C ATOM 152 CD2 LEU A 10 -8.920 -3.731 -0.973 1.00 1.01 C ATOM 0 H LEU A 10 -10.989 -0.708 2.083 1.00 0.28 H new ATOM 0 HA LEU A 10 -8.458 -1.725 2.821 1.00 0.29 H new ATOM 0 HB2 LEU A 10 -9.882 -3.030 1.465 1.00 0.35 H new ATOM 0 HB3 LEU A 10 -10.164 -1.721 0.334 1.00 0.35 H new ATOM 0 HG LEU A 10 -7.868 -1.930 -0.522 1.00 0.35 H new ATOM 0 HD11 LEU A 10 -6.448 -3.815 0.173 1.00 0.60 H new ATOM 0 HD12 LEU A 10 -6.761 -2.691 1.517 1.00 0.60 H new ATOM 0 HD13 LEU A 10 -7.634 -4.240 1.431 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -8.135 -4.121 -1.620 1.00 1.01 H new ATOM 0 HD22 LEU A 10 -9.394 -4.555 -0.440 1.00 1.01 H new ATOM 0 HD23 LEU A 10 -9.665 -3.214 -1.578 1.00 1.01 H new ATOM 164 N VAL A 11 -8.458 0.969 0.975 1.00 0.26 N ATOM 165 CA VAL A 11 -7.619 2.046 0.448 1.00 0.29 C ATOM 166 C VAL A 11 -6.889 2.786 1.577 1.00 0.29 C ATOM 167 O VAL A 11 -5.667 2.891 1.531 1.00 0.37 O ATOM 168 CB VAL A 11 -8.443 3.048 -0.411 1.00 0.36 C ATOM 169 CG1 VAL A 11 -7.645 4.315 -0.724 1.00 0.43 C ATOM 170 CG2 VAL A 11 -8.905 2.383 -1.702 1.00 0.49 C ATOM 0 H VAL A 11 -9.458 1.171 0.954 1.00 0.26 H new ATOM 0 HA VAL A 11 -6.874 1.582 -0.198 1.00 0.29 H new ATOM 0 HB VAL A 11 -9.316 3.342 0.172 1.00 0.36 H new ATOM 0 HG11 VAL A 11 -8.254 4.990 -1.325 1.00 0.43 H new ATOM 0 HG12 VAL A 11 -7.367 4.809 0.207 1.00 0.43 H new ATOM 0 HG13 VAL A 11 -6.744 4.050 -1.277 1.00 0.43 H new ATOM 0 HG21 VAL A 11 -9.480 3.096 -2.293 1.00 0.49 H new ATOM 0 HG22 VAL A 11 -8.037 2.055 -2.273 1.00 0.49 H new ATOM 0 HG23 VAL A 11 -9.529 1.522 -1.464 1.00 0.49 H new ATOM 180 N LYS A 12 -7.617 3.257 2.615 1.00 0.26 N ATOM 181 CA LYS A 12 -6.969 3.968 3.748 1.00 0.30 C ATOM 182 C LYS A 12 -5.797 3.158 4.313 1.00 0.27 C ATOM 183 O LYS A 12 -4.674 3.659 4.418 1.00 0.32 O ATOM 184 CB LYS A 12 -7.947 4.276 4.890 1.00 0.38 C ATOM 185 CG LYS A 12 -8.901 5.426 4.606 1.00 1.15 C ATOM 186 CD LYS A 12 -10.323 4.928 4.633 1.00 2.01 C ATOM 187 CE LYS A 12 -11.315 5.912 4.009 1.00 2.92 C ATOM 188 NZ LYS A 12 -12.679 5.778 4.598 1.00 3.46 N ATOM 0 H LYS A 12 -8.629 3.163 2.695 1.00 0.26 H new ATOM 0 HA LYS A 12 -6.608 4.911 3.338 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.530 3.380 5.104 1.00 0.38 H new ATOM 0 HB3 LYS A 12 -7.376 4.507 5.789 1.00 0.38 H new ATOM 0 HG2 LYS A 12 -8.767 6.213 5.348 1.00 1.15 H new ATOM 0 HG3 LYS A 12 -8.678 5.864 3.633 1.00 1.15 H new ATOM 0 HD2 LYS A 12 -10.379 3.978 4.101 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -10.614 4.733 5.665 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -10.956 6.931 4.154 1.00 2.92 H new ATOM 0 HE3 LYS A 12 -11.366 5.743 2.933 1.00 2.92 H new ATOM 0 HZ1 LYS A 12 -13.379 5.680 3.835 1.00 3.46 H new ATOM 0 HZ2 LYS A 12 -12.712 4.937 5.208 1.00 3.46 H new ATOM 0 HZ3 LYS A 12 -12.898 6.624 5.162 1.00 3.46 H new ATOM 202 N ALA A 13 -6.070 1.888 4.622 1.00 0.25 N ATOM 203 CA ALA A 13 -5.055 0.969 5.150 1.00 0.26 C ATOM 204 C ALA A 13 -3.872 0.808 4.183 1.00 0.22 C ATOM 205 O ALA A 13 -2.720 0.850 4.605 1.00 0.22 O ATOM 206 CB ALA A 13 -5.682 -0.385 5.447 1.00 0.30 C ATOM 0 H ALA A 13 -6.994 1.469 4.515 1.00 0.25 H new ATOM 0 HA ALA A 13 -4.667 1.398 6.074 1.00 0.26 H new ATOM 0 HB1 ALA A 13 -4.921 -1.060 5.838 1.00 0.30 H new ATOM 0 HB2 ALA A 13 -6.475 -0.265 6.185 1.00 0.30 H new ATOM 0 HB3 ALA A 13 -6.100 -0.801 4.530 1.00 0.30 H new ATOM 212 N PHE A 14 -4.171 0.643 2.887 1.00 0.21 N ATOM 213 CA PHE A 14 -3.141 0.508 1.837 1.00 0.19 C ATOM 214 C PHE A 14 -2.136 1.672 1.895 1.00 0.17 C ATOM 215 O PHE A 14 -0.948 1.481 2.179 1.00 0.21 O ATOM 216 CB PHE A 14 -3.813 0.472 0.454 1.00 0.19 C ATOM 217 CG PHE A 14 -2.904 0.039 -0.662 1.00 0.17 C ATOM 218 CD1 PHE A 14 -2.755 -1.302 -0.976 1.00 1.22 C ATOM 219 CD2 PHE A 14 -2.208 0.978 -1.410 1.00 1.16 C ATOM 220 CE1 PHE A 14 -1.926 -1.697 -2.004 1.00 1.21 C ATOM 221 CE2 PHE A 14 -1.371 0.584 -2.435 1.00 1.17 C ATOM 222 CZ PHE A 14 -1.230 -0.753 -2.729 1.00 0.16 C ATOM 0 H PHE A 14 -5.127 0.599 2.534 1.00 0.21 H new ATOM 0 HA PHE A 14 -2.598 -0.422 2.007 1.00 0.19 H new ATOM 0 HB2 PHE A 14 -4.667 -0.204 0.495 1.00 0.19 H new ATOM 0 HB3 PHE A 14 -4.203 1.464 0.226 1.00 0.19 H new ATOM 0 HD1 PHE A 14 -3.294 -2.046 -0.409 1.00 1.22 H new ATOM 0 HD2 PHE A 14 -2.322 2.029 -1.188 1.00 1.16 H new ATOM 0 HE1 PHE A 14 -1.822 -2.745 -2.241 1.00 1.21 H new ATOM 0 HE2 PHE A 14 -0.828 1.324 -3.005 1.00 1.17 H new ATOM 0 HZ PHE A 14 -0.573 -1.063 -3.528 1.00 0.16 H new ATOM 232 N LYS A 15 -2.661 2.880 1.686 1.00 0.17 N ATOM 233 CA LYS A 15 -1.882 4.127 1.728 1.00 0.17 C ATOM 234 C LYS A 15 -1.037 4.259 3.009 1.00 0.14 C ATOM 235 O LYS A 15 0.123 4.671 2.956 1.00 0.14 O ATOM 236 CB LYS A 15 -2.846 5.328 1.633 1.00 0.25 C ATOM 237 CG LYS A 15 -3.906 5.193 0.543 1.00 0.64 C ATOM 238 CD LYS A 15 -3.387 5.634 -0.814 1.00 0.58 C ATOM 239 CE LYS A 15 -3.981 6.974 -1.258 1.00 0.82 C ATOM 240 NZ LYS A 15 -3.817 8.041 -0.230 1.00 0.93 N ATOM 0 H LYS A 15 -3.649 3.026 1.480 1.00 0.17 H new ATOM 0 HA LYS A 15 -1.193 4.108 0.884 1.00 0.17 H new ATOM 0 HB2 LYS A 15 -3.343 5.458 2.594 1.00 0.25 H new ATOM 0 HB3 LYS A 15 -2.266 6.232 1.450 1.00 0.25 H new ATOM 0 HG2 LYS A 15 -4.236 4.156 0.485 1.00 0.64 H new ATOM 0 HG3 LYS A 15 -4.778 5.791 0.809 1.00 0.64 H new ATOM 0 HD2 LYS A 15 -2.301 5.716 -0.776 1.00 0.58 H new ATOM 0 HD3 LYS A 15 -3.623 4.871 -1.556 1.00 0.58 H new ATOM 0 HE2 LYS A 15 -3.502 7.290 -2.185 1.00 0.82 H new ATOM 0 HE3 LYS A 15 -5.041 6.843 -1.475 1.00 0.82 H new ATOM 0 HZ1 LYS A 15 -3.930 8.973 -0.676 1.00 0.93 H new ATOM 0 HZ2 LYS A 15 -4.537 7.922 0.511 1.00 0.93 H new ATOM 0 HZ3 LYS A 15 -2.869 7.973 0.193 1.00 0.93 H new ATOM 254 N ALA A 16 -1.649 3.930 4.152 1.00 0.15 N ATOM 255 CA ALA A 16 -0.997 4.032 5.465 1.00 0.16 C ATOM 256 C ALA A 16 0.220 3.106 5.587 1.00 0.15 C ATOM 257 O ALA A 16 1.274 3.534 6.057 1.00 0.18 O ATOM 258 CB ALA A 16 -2.000 3.742 6.582 1.00 0.20 C ATOM 0 H ALA A 16 -2.608 3.586 4.194 1.00 0.15 H new ATOM 0 HA ALA A 16 -0.634 5.055 5.564 1.00 0.16 H new ATOM 0 HB1 ALA A 16 -1.502 3.822 7.548 1.00 0.20 H new ATOM 0 HB2 ALA A 16 -2.816 4.463 6.534 1.00 0.20 H new ATOM 0 HB3 ALA A 16 -2.398 2.735 6.461 1.00 0.20 H new ATOM 264 N LEU A 17 0.065 1.844 5.163 1.00 0.15 N ATOM 265 CA LEU A 17 1.156 0.852 5.220 1.00 0.17 C ATOM 266 C LEU A 17 2.375 1.302 4.415 1.00 0.15 C ATOM 267 O LEU A 17 3.507 1.217 4.888 1.00 0.19 O ATOM 268 CB LEU A 17 0.677 -0.511 4.690 1.00 0.21 C ATOM 269 CG LEU A 17 -0.368 -1.219 5.551 1.00 0.25 C ATOM 270 CD1 LEU A 17 -0.649 -2.613 5.011 1.00 0.27 C ATOM 271 CD2 LEU A 17 0.076 -1.291 7.005 1.00 0.33 C ATOM 0 H LEU A 17 -0.806 1.482 4.775 1.00 0.15 H new ATOM 0 HA LEU A 17 1.447 0.759 6.266 1.00 0.17 H new ATOM 0 HB2 LEU A 17 0.264 -0.369 3.691 1.00 0.21 H new ATOM 0 HB3 LEU A 17 1.542 -1.166 4.587 1.00 0.21 H new ATOM 0 HG LEU A 17 -1.288 -0.637 5.508 1.00 0.25 H new ATOM 0 HD11 LEU A 17 -1.396 -3.102 5.637 1.00 0.27 H new ATOM 0 HD12 LEU A 17 -1.024 -2.539 3.990 1.00 0.27 H new ATOM 0 HD13 LEU A 17 0.270 -3.198 5.019 1.00 0.27 H new ATOM 0 HD21 LEU A 17 -0.687 -1.800 7.594 1.00 0.33 H new ATOM 0 HD22 LEU A 17 1.014 -1.843 7.072 1.00 0.33 H new ATOM 0 HD23 LEU A 17 0.220 -0.282 7.392 1.00 0.33 H new ATOM 283 N LEU A 18 2.139 1.786 3.194 1.00 0.12 N ATOM 284 CA LEU A 18 3.232 2.265 2.330 1.00 0.12 C ATOM 285 C LEU A 18 3.994 3.423 2.979 1.00 0.13 C ATOM 286 O LEU A 18 5.225 3.447 2.983 1.00 0.15 O ATOM 287 CB LEU A 18 2.698 2.716 0.970 1.00 0.12 C ATOM 288 CG LEU A 18 1.863 1.675 0.223 1.00 0.13 C ATOM 289 CD1 LEU A 18 0.821 2.360 -0.649 1.00 0.22 C ATOM 290 CD2 LEU A 18 2.753 0.754 -0.604 1.00 0.15 C ATOM 0 H LEU A 18 1.210 1.859 2.779 1.00 0.12 H new ATOM 0 HA LEU A 18 3.916 1.428 2.190 1.00 0.12 H new ATOM 0 HB2 LEU A 18 2.092 3.610 1.114 1.00 0.12 H new ATOM 0 HB3 LEU A 18 3.542 3.001 0.342 1.00 0.12 H new ATOM 0 HG LEU A 18 1.343 1.059 0.956 1.00 0.13 H new ATOM 0 HD11 LEU A 18 0.234 1.607 -1.175 1.00 0.22 H new ATOM 0 HD12 LEU A 18 0.162 2.962 -0.023 1.00 0.22 H new ATOM 0 HD13 LEU A 18 1.319 3.003 -1.375 1.00 0.22 H new ATOM 0 HD21 LEU A 18 2.135 0.023 -1.125 1.00 0.15 H new ATOM 0 HD22 LEU A 18 3.310 1.344 -1.332 1.00 0.15 H new ATOM 0 HD23 LEU A 18 3.451 0.236 0.054 1.00 0.15 H new ATOM 302 N LYS A 19 3.250 4.368 3.553 1.00 0.17 N ATOM 303 CA LYS A 19 3.843 5.551 4.181 1.00 0.21 C ATOM 304 C LYS A 19 4.684 5.219 5.432 1.00 0.24 C ATOM 305 O LYS A 19 5.401 6.086 5.939 1.00 0.32 O ATOM 306 CB LYS A 19 2.739 6.557 4.519 1.00 0.23 C ATOM 307 CG LYS A 19 2.177 7.248 3.283 1.00 0.25 C ATOM 308 CD LYS A 19 1.339 8.470 3.651 1.00 0.38 C ATOM 309 CE LYS A 19 2.208 9.585 4.228 1.00 0.80 C ATOM 310 NZ LYS A 19 1.636 10.936 3.996 1.00 1.39 N ATOM 0 H LYS A 19 2.231 4.338 3.597 1.00 0.17 H new ATOM 0 HA LYS A 19 4.536 5.988 3.462 1.00 0.21 H new ATOM 0 HB2 LYS A 19 1.932 6.043 5.042 1.00 0.23 H new ATOM 0 HB3 LYS A 19 3.134 7.308 5.203 1.00 0.23 H new ATOM 0 HG2 LYS A 19 2.997 7.552 2.632 1.00 0.25 H new ATOM 0 HG3 LYS A 19 1.565 6.544 2.719 1.00 0.25 H new ATOM 0 HD2 LYS A 19 0.816 8.834 2.767 1.00 0.38 H new ATOM 0 HD3 LYS A 19 0.578 8.186 4.378 1.00 0.38 H new ATOM 0 HE2 LYS A 19 2.331 9.426 5.299 1.00 0.80 H new ATOM 0 HE3 LYS A 19 3.201 9.534 3.782 1.00 0.80 H new ATOM 0 HZ1 LYS A 19 2.180 11.421 3.254 1.00 1.39 H new ATOM 0 HZ2 LYS A 19 0.644 10.846 3.695 1.00 1.39 H new ATOM 0 HZ3 LYS A 19 1.682 11.488 4.876 1.00 1.39 H new ATOM 324 N GLU A 20 4.625 3.967 5.904 1.00 0.26 N ATOM 325 CA GLU A 20 5.438 3.531 7.050 1.00 0.30 C ATOM 326 C GLU A 20 6.908 3.325 6.644 1.00 0.27 C ATOM 327 O GLU A 20 7.793 3.329 7.502 1.00 0.30 O ATOM 328 CB GLU A 20 4.896 2.218 7.644 1.00 0.39 C ATOM 329 CG GLU A 20 3.565 2.363 8.370 1.00 0.48 C ATOM 330 CD GLU A 20 3.003 1.034 8.845 1.00 1.05 C ATOM 331 OE1 GLU A 20 3.689 0.001 8.686 1.00 1.76 O ATOM 332 OE2 GLU A 20 1.885 1.025 9.398 1.00 1.75 O ATOM 0 H GLU A 20 4.026 3.240 5.513 1.00 0.26 H new ATOM 0 HA GLU A 20 5.380 4.319 7.800 1.00 0.30 H new ATOM 0 HB2 GLU A 20 4.782 1.489 6.841 1.00 0.39 H new ATOM 0 HB3 GLU A 20 5.633 1.815 8.338 1.00 0.39 H new ATOM 0 HG2 GLU A 20 3.694 3.024 9.227 1.00 0.48 H new ATOM 0 HG3 GLU A 20 2.844 2.840 7.705 1.00 0.48 H new ATOM 339 N GLU A 21 7.151 3.101 5.341 1.00 0.24 N ATOM 340 CA GLU A 21 8.500 2.825 4.815 1.00 0.26 C ATOM 341 C GLU A 21 9.022 1.501 5.395 1.00 0.28 C ATOM 342 O GLU A 21 10.062 1.454 6.057 1.00 0.42 O ATOM 343 CB GLU A 21 9.469 3.988 5.107 1.00 0.28 C ATOM 344 CG GLU A 21 8.928 5.359 4.696 1.00 0.33 C ATOM 345 CD GLU A 21 9.906 6.482 4.970 1.00 0.44 C ATOM 346 OE1 GLU A 21 10.358 6.604 6.126 1.00 1.17 O ATOM 347 OE2 GLU A 21 10.213 7.249 4.038 1.00 1.19 O ATOM 0 H GLU A 21 6.423 3.106 4.626 1.00 0.24 H new ATOM 0 HA GLU A 21 8.438 2.731 3.731 1.00 0.26 H new ATOM 0 HB2 GLU A 21 9.695 4.001 6.173 1.00 0.28 H new ATOM 0 HB3 GLU A 21 10.408 3.806 4.584 1.00 0.28 H new ATOM 0 HG2 GLU A 21 8.686 5.345 3.633 1.00 0.33 H new ATOM 0 HG3 GLU A 21 7.999 5.554 5.232 1.00 0.33 H new ATOM 354 N LYS A 22 8.242 0.444 5.171 1.00 0.24 N ATOM 355 CA LYS A 22 8.511 -0.886 5.734 1.00 0.27 C ATOM 356 C LYS A 22 8.202 -2.000 4.720 1.00 0.33 C ATOM 357 O LYS A 22 8.718 -3.114 4.826 1.00 0.74 O ATOM 358 CB LYS A 22 7.651 -1.036 7.021 1.00 0.37 C ATOM 359 CG LYS A 22 7.329 -2.464 7.473 1.00 0.95 C ATOM 360 CD LYS A 22 7.463 -2.624 8.987 1.00 1.24 C ATOM 361 CE LYS A 22 6.169 -2.290 9.724 1.00 1.69 C ATOM 362 NZ LYS A 22 5.960 -0.823 9.889 1.00 2.44 N ATOM 0 H LYS A 22 7.403 0.482 4.593 1.00 0.24 H new ATOM 0 HA LYS A 22 9.569 -0.981 5.977 1.00 0.27 H new ATOM 0 HB2 LYS A 22 8.168 -0.530 7.836 1.00 0.37 H new ATOM 0 HB3 LYS A 22 6.710 -0.509 6.864 1.00 0.37 H new ATOM 0 HG2 LYS A 22 6.315 -2.721 7.169 1.00 0.95 H new ATOM 0 HG3 LYS A 22 7.999 -3.163 6.973 1.00 0.95 H new ATOM 0 HD2 LYS A 22 7.755 -3.649 9.217 1.00 1.24 H new ATOM 0 HD3 LYS A 22 8.262 -1.976 9.349 1.00 1.24 H new ATOM 0 HE2 LYS A 22 5.326 -2.713 9.178 1.00 1.69 H new ATOM 0 HE3 LYS A 22 6.183 -2.763 10.706 1.00 1.69 H new ATOM 0 HZ1 LYS A 22 5.573 -0.632 10.835 1.00 2.44 H new ATOM 0 HZ2 LYS A 22 6.868 -0.328 9.780 1.00 2.44 H new ATOM 0 HZ3 LYS A 22 5.292 -0.484 9.167 1.00 2.44 H new ATOM 376 N PHE A 23 7.373 -1.684 3.730 1.00 0.25 N ATOM 377 CA PHE A 23 6.891 -2.647 2.749 1.00 0.25 C ATOM 378 C PHE A 23 7.794 -2.744 1.527 1.00 0.23 C ATOM 379 O PHE A 23 7.769 -1.873 0.666 1.00 0.30 O ATOM 380 CB PHE A 23 5.478 -2.220 2.373 1.00 0.36 C ATOM 381 CG PHE A 23 4.534 -2.554 3.489 1.00 0.34 C ATOM 382 CD1 PHE A 23 4.433 -1.704 4.576 1.00 1.22 C ATOM 383 CD2 PHE A 23 3.942 -3.800 3.565 1.00 1.25 C ATOM 384 CE1 PHE A 23 3.660 -2.036 5.663 1.00 1.21 C ATOM 385 CE2 PHE A 23 3.157 -4.138 4.652 1.00 1.27 C ATOM 386 CZ PHE A 23 3.017 -3.254 5.702 1.00 0.35 C ATOM 0 H PHE A 23 7.013 -0.740 3.586 1.00 0.25 H new ATOM 0 HA PHE A 23 6.895 -3.649 3.178 1.00 0.25 H new ATOM 0 HB2 PHE A 23 5.453 -1.149 2.171 1.00 0.36 H new ATOM 0 HB3 PHE A 23 5.167 -2.724 1.458 1.00 0.36 H new ATOM 0 HD1 PHE A 23 4.969 -0.766 4.570 1.00 1.22 H new ATOM 0 HD2 PHE A 23 4.093 -4.515 2.770 1.00 1.25 H new ATOM 0 HE1 PHE A 23 3.557 -1.343 6.485 1.00 1.21 H new ATOM 0 HE2 PHE A 23 2.654 -5.093 4.679 1.00 1.27 H new ATOM 0 HZ PHE A 23 2.405 -3.516 6.552 1.00 0.35 H new ATOM 396 N SER A 24 8.556 -3.837 1.437 1.00 0.22 N ATOM 397 CA SER A 24 9.524 -4.019 0.357 1.00 0.27 C ATOM 398 C SER A 24 8.877 -4.469 -0.955 1.00 0.26 C ATOM 399 O SER A 24 9.112 -3.858 -2.002 1.00 0.44 O ATOM 400 CB SER A 24 10.640 -4.983 0.804 1.00 0.37 C ATOM 401 OG SER A 24 10.176 -6.321 0.951 1.00 1.04 O ATOM 0 H SER A 24 8.520 -4.610 2.102 1.00 0.22 H new ATOM 0 HA SER A 24 9.966 -3.045 0.147 1.00 0.27 H new ATOM 0 HB2 SER A 24 11.449 -4.960 0.074 1.00 0.37 H new ATOM 0 HB3 SER A 24 11.055 -4.639 1.751 1.00 0.37 H new ATOM 0 HG SER A 24 9.281 -6.315 1.349 1.00 1.04 H new ATOM 407 N SER A 25 8.061 -5.517 -0.900 1.00 0.21 N ATOM 408 CA SER A 25 7.367 -6.021 -2.087 1.00 0.22 C ATOM 409 C SER A 25 5.851 -5.970 -1.891 1.00 0.20 C ATOM 410 O SER A 25 5.360 -5.726 -0.784 1.00 0.24 O ATOM 411 CB SER A 25 7.820 -7.457 -2.416 1.00 0.31 C ATOM 412 OG SER A 25 7.788 -8.303 -1.276 1.00 0.43 O ATOM 0 H SER A 25 7.862 -6.037 -0.045 1.00 0.21 H new ATOM 0 HA SER A 25 7.626 -5.378 -2.928 1.00 0.22 H new ATOM 0 HB2 SER A 25 7.176 -7.871 -3.192 1.00 0.31 H new ATOM 0 HB3 SER A 25 8.832 -7.433 -2.821 1.00 0.31 H new ATOM 0 HG SER A 25 8.081 -9.204 -1.529 1.00 0.43 H new ATOM 418 N GLN A 26 5.119 -6.212 -2.979 1.00 0.22 N ATOM 419 CA GLN A 26 3.653 -6.257 -2.959 1.00 0.23 C ATOM 420 C GLN A 26 3.154 -7.332 -1.983 1.00 0.27 C ATOM 421 O GLN A 26 2.387 -7.044 -1.072 1.00 0.44 O ATOM 422 CB GLN A 26 3.131 -6.547 -4.369 1.00 0.33 C ATOM 423 CG GLN A 26 3.761 -5.684 -5.465 1.00 0.48 C ATOM 424 CD GLN A 26 4.912 -6.368 -6.188 1.00 0.76 C ATOM 425 OE1 GLN A 26 5.528 -7.296 -5.660 1.00 1.53 O ATOM 426 NE2 GLN A 26 5.214 -5.908 -7.392 1.00 0.81 N ATOM 0 H GLN A 26 5.524 -6.383 -3.900 1.00 0.22 H new ATOM 0 HA GLN A 26 3.278 -5.290 -2.623 1.00 0.23 H new ATOM 0 HB2 GLN A 26 3.311 -7.597 -4.601 1.00 0.33 H new ATOM 0 HB3 GLN A 26 2.051 -6.398 -4.382 1.00 0.33 H new ATOM 0 HG2 GLN A 26 2.994 -5.416 -6.191 1.00 0.48 H new ATOM 0 HG3 GLN A 26 4.121 -4.755 -5.023 1.00 0.48 H new ATOM 0 HE21 GLN A 26 4.679 -5.138 -7.793 1.00 0.81 H new ATOM 0 HE22 GLN A 26 5.982 -6.324 -7.919 1.00 0.81 H new ATOM 435 N GLY A 27 3.670 -8.552 -2.150 1.00 0.23 N ATOM 436 CA GLY A 27 3.307 -9.698 -1.298 1.00 0.25 C ATOM 437 C GLY A 27 3.250 -9.401 0.204 1.00 0.23 C ATOM 438 O GLY A 27 2.382 -9.927 0.908 1.00 0.30 O ATOM 0 H GLY A 27 4.350 -8.778 -2.876 1.00 0.23 H new ATOM 0 HA2 GLY A 27 2.334 -10.073 -1.615 1.00 0.25 H new ATOM 0 HA3 GLY A 27 4.027 -10.499 -1.467 1.00 0.25 H new ATOM 442 N GLU A 28 4.155 -8.543 0.693 1.00 0.22 N ATOM 443 CA GLU A 28 4.183 -8.161 2.112 1.00 0.25 C ATOM 444 C GLU A 28 2.934 -7.355 2.507 1.00 0.20 C ATOM 445 O GLU A 28 2.318 -7.617 3.542 1.00 0.24 O ATOM 446 CB GLU A 28 5.447 -7.342 2.421 1.00 0.34 C ATOM 447 CG GLU A 28 6.748 -8.051 2.057 1.00 0.96 C ATOM 448 CD GLU A 28 7.930 -7.565 2.870 1.00 1.05 C ATOM 449 OE1 GLU A 28 8.262 -6.367 2.779 1.00 1.62 O ATOM 450 OE2 GLU A 28 8.511 -8.374 3.618 1.00 1.59 O ATOM 0 H GLU A 28 4.878 -8.100 0.127 1.00 0.22 H new ATOM 0 HA GLU A 28 4.193 -9.080 2.698 1.00 0.25 H new ATOM 0 HB2 GLU A 28 5.397 -6.397 1.881 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.461 -7.101 3.484 1.00 0.34 H new ATOM 0 HG2 GLU A 28 6.626 -9.124 2.208 1.00 0.96 H new ATOM 0 HG3 GLU A 28 6.955 -7.899 0.998 1.00 0.96 H new ATOM 457 N ILE A 29 2.572 -6.366 1.679 1.00 0.17 N ATOM 458 CA ILE A 29 1.388 -5.524 1.934 1.00 0.15 C ATOM 459 C ILE A 29 0.091 -6.271 1.569 1.00 0.14 C ATOM 460 O ILE A 29 -0.971 -5.999 2.140 1.00 0.16 O ATOM 461 CB ILE A 29 1.500 -4.119 1.246 1.00 0.16 C ATOM 462 CG1 ILE A 29 0.163 -3.573 0.738 1.00 0.15 C ATOM 463 CG2 ILE A 29 2.518 -4.110 0.107 1.00 0.23 C ATOM 464 CD1 ILE A 29 0.299 -2.178 0.161 1.00 0.16 C ATOM 0 H ILE A 29 3.079 -6.127 0.827 1.00 0.17 H new ATOM 0 HA ILE A 29 1.347 -5.322 3.004 1.00 0.15 H new ATOM 0 HB ILE A 29 1.846 -3.457 2.040 1.00 0.16 H new ATOM 0 HG12 ILE A 29 -0.236 -4.243 -0.024 1.00 0.15 H new ATOM 0 HG13 ILE A 29 -0.556 -3.558 1.557 1.00 0.15 H new ATOM 0 HG21 ILE A 29 2.559 -3.115 -0.337 1.00 0.23 H new ATOM 0 HG22 ILE A 29 3.501 -4.374 0.496 1.00 0.23 H new ATOM 0 HG23 ILE A 29 2.221 -4.834 -0.652 1.00 0.23 H new ATOM 0 HD11 ILE A 29 -0.674 -1.832 -0.187 1.00 0.16 H new ATOM 0 HD12 ILE A 29 0.672 -1.501 0.930 1.00 0.16 H new ATOM 0 HD13 ILE A 29 0.997 -2.197 -0.676 1.00 0.16 H new ATOM 476 N VAL A 30 0.213 -7.295 0.712 1.00 0.14 N ATOM 477 CA VAL A 30 -0.908 -8.179 0.371 1.00 0.16 C ATOM 478 C VAL A 30 -1.366 -8.938 1.626 1.00 0.17 C ATOM 479 O VAL A 30 -2.560 -9.010 1.934 1.00 0.24 O ATOM 480 CB VAL A 30 -0.506 -9.207 -0.728 1.00 0.18 C ATOM 481 CG1 VAL A 30 -1.630 -10.191 -1.008 1.00 0.29 C ATOM 482 CG2 VAL A 30 -0.103 -8.508 -2.019 1.00 0.23 C ATOM 0 H VAL A 30 1.085 -7.532 0.239 1.00 0.14 H new ATOM 0 HA VAL A 30 -1.719 -7.561 -0.014 1.00 0.16 H new ATOM 0 HB VAL A 30 0.352 -9.759 -0.345 1.00 0.18 H new ATOM 0 HG11 VAL A 30 -1.315 -10.893 -1.780 1.00 0.29 H new ATOM 0 HG12 VAL A 30 -1.871 -10.738 -0.096 1.00 0.29 H new ATOM 0 HG13 VAL A 30 -2.512 -9.649 -1.349 1.00 0.29 H new ATOM 0 HG21 VAL A 30 0.172 -9.253 -2.766 1.00 0.23 H new ATOM 0 HG22 VAL A 30 -0.940 -7.916 -2.389 1.00 0.23 H new ATOM 0 HG23 VAL A 30 0.748 -7.854 -1.828 1.00 0.23 H new ATOM 492 N ALA A 31 -0.385 -9.474 2.359 1.00 0.17 N ATOM 493 CA ALA A 31 -0.628 -10.203 3.605 1.00 0.21 C ATOM 494 C ALA A 31 -1.073 -9.261 4.730 1.00 0.21 C ATOM 495 O ALA A 31 -2.025 -9.558 5.454 1.00 0.26 O ATOM 496 CB ALA A 31 0.629 -10.964 4.015 1.00 0.25 C ATOM 0 H ALA A 31 0.601 -9.414 2.104 1.00 0.17 H new ATOM 0 HA ALA A 31 -1.437 -10.912 3.430 1.00 0.21 H new ATOM 0 HB1 ALA A 31 0.441 -11.504 4.943 1.00 0.25 H new ATOM 0 HB2 ALA A 31 0.898 -11.672 3.231 1.00 0.25 H new ATOM 0 HB3 ALA A 31 1.448 -10.260 4.164 1.00 0.25 H new ATOM 502 N ALA A 32 -0.401 -8.108 4.845 1.00 0.18 N ATOM 503 CA ALA A 32 -0.691 -7.120 5.896 1.00 0.20 C ATOM 504 C ALA A 32 -2.168 -6.701 5.930 1.00 0.18 C ATOM 505 O ALA A 32 -2.775 -6.655 7.001 1.00 0.24 O ATOM 506 CB ALA A 32 0.200 -5.897 5.733 1.00 0.21 C ATOM 0 H ALA A 32 0.355 -7.834 4.217 1.00 0.18 H new ATOM 0 HA ALA A 32 -0.477 -7.603 6.849 1.00 0.20 H new ATOM 0 HB1 ALA A 32 -0.026 -5.175 6.518 1.00 0.21 H new ATOM 0 HB2 ALA A 32 1.246 -6.196 5.806 1.00 0.21 H new ATOM 0 HB3 ALA A 32 0.020 -5.443 4.759 1.00 0.21 H new ATOM 512 N LEU A 33 -2.756 -6.412 4.761 1.00 0.15 N ATOM 513 CA LEU A 33 -4.172 -6.021 4.703 1.00 0.15 C ATOM 514 C LEU A 33 -5.098 -7.220 5.003 1.00 0.17 C ATOM 515 O LEU A 33 -6.185 -7.050 5.559 1.00 0.21 O ATOM 516 CB LEU A 33 -4.524 -5.360 3.357 1.00 0.21 C ATOM 517 CG LEU A 33 -3.753 -4.058 3.064 1.00 0.29 C ATOM 518 CD1 LEU A 33 -3.926 -3.619 1.614 1.00 0.47 C ATOM 519 CD2 LEU A 33 -4.193 -2.950 4.015 1.00 0.37 C ATOM 0 H LEU A 33 -2.284 -6.440 3.857 1.00 0.15 H new ATOM 0 HA LEU A 33 -4.336 -5.276 5.481 1.00 0.15 H new ATOM 0 HB2 LEU A 33 -4.328 -6.072 2.555 1.00 0.21 H new ATOM 0 HB3 LEU A 33 -5.593 -5.146 3.340 1.00 0.21 H new ATOM 0 HG LEU A 33 -2.694 -4.257 3.225 1.00 0.29 H new ATOM 0 HD11 LEU A 33 -3.369 -2.698 1.444 1.00 0.47 H new ATOM 0 HD12 LEU A 33 -3.551 -4.398 0.951 1.00 0.47 H new ATOM 0 HD13 LEU A 33 -4.983 -3.447 1.410 1.00 0.47 H new ATOM 0 HD21 LEU A 33 -3.638 -2.038 3.793 1.00 0.37 H new ATOM 0 HD22 LEU A 33 -5.260 -2.765 3.889 1.00 0.37 H new ATOM 0 HD23 LEU A 33 -3.996 -3.254 5.043 1.00 0.37 H new ATOM 531 N GLN A 34 -4.638 -8.446 4.721 1.00 0.20 N ATOM 532 CA GLN A 34 -5.418 -9.646 5.066 1.00 0.26 C ATOM 533 C GLN A 34 -5.488 -9.816 6.593 1.00 0.29 C ATOM 534 O GLN A 34 -6.522 -10.211 7.133 1.00 0.38 O ATOM 535 CB GLN A 34 -4.834 -10.904 4.405 1.00 0.29 C ATOM 536 CG GLN A 34 -5.151 -11.006 2.916 1.00 0.33 C ATOM 537 CD GLN A 34 -4.453 -12.177 2.244 1.00 0.58 C ATOM 538 OE1 GLN A 34 -4.651 -13.330 2.622 1.00 1.12 O ATOM 539 NE2 GLN A 34 -3.626 -11.886 1.253 1.00 0.58 N ATOM 0 H GLN A 34 -3.746 -8.634 4.263 1.00 0.20 H new ATOM 0 HA GLN A 34 -6.429 -9.512 4.682 1.00 0.26 H new ATOM 0 HB2 GLN A 34 -3.752 -10.908 4.540 1.00 0.29 H new ATOM 0 HB3 GLN A 34 -5.222 -11.787 4.913 1.00 0.29 H new ATOM 0 HG2 GLN A 34 -6.228 -11.107 2.785 1.00 0.33 H new ATOM 0 HG3 GLN A 34 -4.855 -10.081 2.422 1.00 0.33 H new ATOM 0 HE21 GLN A 34 -3.490 -10.915 0.970 1.00 0.58 H new ATOM 0 HE22 GLN A 34 -3.124 -12.632 0.772 1.00 0.58 H new ATOM 548 N GLU A 35 -4.402 -9.436 7.280 1.00 0.28 N ATOM 549 CA GLU A 35 -4.338 -9.472 8.748 1.00 0.34 C ATOM 550 C GLU A 35 -5.115 -8.292 9.365 1.00 0.34 C ATOM 551 O GLU A 35 -5.682 -8.417 10.452 1.00 0.45 O ATOM 552 CB GLU A 35 -2.872 -9.448 9.214 1.00 0.37 C ATOM 553 CG GLU A 35 -2.085 -10.700 8.820 1.00 0.65 C ATOM 554 CD GLU A 35 -0.608 -10.437 8.608 1.00 1.20 C ATOM 555 OE1 GLU A 35 -0.019 -9.672 9.396 1.00 1.94 O ATOM 556 OE2 GLU A 35 -0.032 -10.988 7.651 1.00 1.78 O ATOM 0 H GLU A 35 -3.548 -9.097 6.837 1.00 0.28 H new ATOM 0 HA GLU A 35 -4.804 -10.397 9.088 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -2.380 -8.572 8.793 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -2.846 -9.338 10.298 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -2.205 -11.455 9.597 1.00 0.65 H new ATOM 0 HG3 GLU A 35 -2.508 -11.114 7.905 1.00 0.65 H new ATOM 563 N GLN A 36 -5.157 -7.158 8.648 1.00 0.26 N ATOM 564 CA GLN A 36 -5.883 -5.960 9.096 1.00 0.28 C ATOM 565 C GLN A 36 -7.387 -6.222 9.224 1.00 0.30 C ATOM 566 O GLN A 36 -7.990 -5.929 10.258 1.00 0.39 O ATOM 567 CB GLN A 36 -5.643 -4.803 8.117 1.00 0.26 C ATOM 568 CG GLN A 36 -4.280 -4.133 8.283 1.00 0.31 C ATOM 569 CD GLN A 36 -4.348 -2.847 9.093 1.00 0.49 C ATOM 570 OE1 GLN A 36 -4.634 -2.870 10.290 1.00 1.42 O ATOM 571 NE2 GLN A 36 -4.130 -1.715 8.438 1.00 0.65 N ATOM 0 H GLN A 36 -4.692 -7.046 7.747 1.00 0.26 H new ATOM 0 HA GLN A 36 -5.502 -5.694 10.082 1.00 0.28 H new ATOM 0 HB2 GLN A 36 -5.733 -5.177 7.097 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -6.425 -4.056 8.253 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -3.596 -4.828 8.770 1.00 0.31 H new ATOM 0 HG3 GLN A 36 -3.865 -3.915 7.299 1.00 0.31 H new ATOM 0 HE21 GLN A 36 -3.895 -1.737 7.446 1.00 0.65 H new ATOM 0 HE22 GLN A 36 -4.197 -0.822 8.926 1.00 0.65 H new ATOM 580 N GLY A 37 -7.991 -6.734 8.156 1.00 0.28 N ATOM 581 CA GLY A 37 -9.419 -7.019 8.166 1.00 0.33 C ATOM 582 C GLY A 37 -10.037 -7.035 6.779 1.00 0.34 C ATOM 583 O GLY A 37 -11.215 -6.701 6.626 1.00 0.46 O ATOM 0 H GLY A 37 -7.518 -6.958 7.281 1.00 0.28 H new ATOM 0 HA2 GLY A 37 -9.587 -7.985 8.642 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -9.928 -6.271 8.774 1.00 0.33 H new ATOM 587 N PHE A 38 -9.253 -7.424 5.767 1.00 0.30 N ATOM 588 CA PHE A 38 -9.729 -7.451 4.377 1.00 0.34 C ATOM 589 C PHE A 38 -9.646 -8.853 3.774 1.00 0.45 C ATOM 590 O PHE A 38 -8.885 -9.706 4.242 1.00 0.83 O ATOM 591 CB PHE A 38 -8.929 -6.454 3.535 1.00 0.31 C ATOM 592 CG PHE A 38 -8.998 -5.061 4.094 1.00 0.26 C ATOM 593 CD1 PHE A 38 -10.120 -4.282 3.886 1.00 1.24 C ATOM 594 CD2 PHE A 38 -7.997 -4.576 4.914 1.00 1.19 C ATOM 595 CE1 PHE A 38 -10.207 -3.017 4.432 1.00 1.26 C ATOM 596 CE2 PHE A 38 -8.076 -3.318 5.460 1.00 1.19 C ATOM 597 CZ PHE A 38 -9.180 -2.537 5.222 1.00 0.29 C ATOM 0 H PHE A 38 -8.285 -7.725 5.884 1.00 0.30 H new ATOM 0 HA PHE A 38 -10.780 -7.162 4.375 1.00 0.34 H new ATOM 0 HB2 PHE A 38 -7.888 -6.774 3.487 1.00 0.31 H new ATOM 0 HB3 PHE A 38 -9.310 -6.454 2.514 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -10.936 -4.666 3.291 1.00 1.24 H new ATOM 0 HD2 PHE A 38 -7.139 -5.196 5.129 1.00 1.19 H new ATOM 0 HE1 PHE A 38 -11.076 -2.404 4.242 1.00 1.26 H new ATOM 0 HE2 PHE A 38 -7.271 -2.944 6.075 1.00 1.19 H new ATOM 0 HZ PHE A 38 -9.246 -1.548 5.652 1.00 0.29 H new ATOM 607 N ASP A 39 -10.460 -9.072 2.742 1.00 0.46 N ATOM 608 CA ASP A 39 -10.519 -10.324 2.015 1.00 0.58 C ATOM 609 C ASP A 39 -10.723 -10.008 0.539 1.00 0.69 C ATOM 610 O ASP A 39 -11.394 -9.040 0.181 1.00 1.55 O ATOM 611 CB ASP A 39 -11.661 -11.212 2.537 1.00 0.72 C ATOM 612 CG ASP A 39 -11.431 -12.699 2.311 1.00 1.53 C ATOM 613 OD1 ASP A 39 -10.512 -13.059 1.550 1.00 2.24 O ATOM 614 OD2 ASP A 39 -12.187 -13.507 2.885 1.00 2.21 O ATOM 0 H ASP A 39 -11.106 -8.367 2.387 1.00 0.46 H new ATOM 0 HA ASP A 39 -9.589 -10.874 2.157 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -11.791 -11.031 3.604 1.00 0.72 H new ATOM 0 HB3 ASP A 39 -12.590 -10.919 2.048 1.00 0.72 H new ATOM 619 N ASN A 40 -10.137 -10.840 -0.285 1.00 0.95 N ATOM 620 CA ASN A 40 -10.149 -10.698 -1.749 1.00 1.07 C ATOM 621 C ASN A 40 -9.020 -9.755 -2.187 1.00 0.91 C ATOM 622 O ASN A 40 -9.218 -8.842 -2.995 1.00 1.18 O ATOM 623 CB ASN A 40 -11.525 -10.225 -2.278 1.00 1.35 C ATOM 624 CG ASN A 40 -11.834 -10.764 -3.665 1.00 1.76 C ATOM 625 OD1 ASN A 40 -12.820 -11.475 -3.864 1.00 2.30 O ATOM 626 ND2 ASN A 40 -10.977 -10.454 -4.625 1.00 2.30 N ATOM 0 H ASN A 40 -9.622 -11.660 0.035 1.00 0.95 H new ATOM 0 HA ASN A 40 -9.976 -11.680 -2.188 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -12.305 -10.543 -1.586 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -11.546 -9.135 -2.303 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -11.121 -10.807 -5.571 1.00 2.30 H new ATOM 0 HD22 ASN A 40 -10.172 -9.862 -4.419 1.00 2.30 H new ATOM 633 N ILE A 41 -7.838 -9.993 -1.623 1.00 0.58 N ATOM 634 CA ILE A 41 -6.637 -9.209 -1.903 1.00 0.44 C ATOM 635 C ILE A 41 -5.497 -10.155 -2.298 1.00 0.39 C ATOM 636 O ILE A 41 -5.241 -11.150 -1.614 1.00 0.62 O ATOM 637 CB ILE A 41 -6.250 -8.335 -0.664 1.00 0.40 C ATOM 638 CG1 ILE A 41 -6.835 -6.925 -0.811 1.00 0.60 C ATOM 639 CG2 ILE A 41 -4.739 -8.246 -0.451 1.00 0.39 C ATOM 640 CD1 ILE A 41 -5.845 -5.921 -1.359 1.00 1.68 C ATOM 0 H ILE A 41 -7.685 -10.745 -0.951 1.00 0.58 H new ATOM 0 HA ILE A 41 -6.830 -8.529 -2.733 1.00 0.44 H new ATOM 0 HB ILE A 41 -6.672 -8.826 0.213 1.00 0.40 H new ATOM 0 HG12 ILE A 41 -7.703 -6.966 -1.469 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -7.189 -6.583 0.162 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -4.530 -7.627 0.422 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -4.334 -9.246 -0.292 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -4.273 -7.801 -1.330 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -6.323 -4.945 -1.438 1.00 1.68 H new ATOM 0 HD12 ILE A 41 -4.988 -5.852 -0.689 1.00 1.68 H new ATOM 0 HD13 ILE A 41 -5.510 -6.242 -2.345 1.00 1.68 H new ATOM 652 N ASN A 42 -4.843 -9.852 -3.418 1.00 0.33 N ATOM 653 CA ASN A 42 -3.734 -10.671 -3.932 1.00 0.31 C ATOM 654 C ASN A 42 -2.614 -9.782 -4.491 1.00 0.24 C ATOM 655 O ASN A 42 -2.703 -8.551 -4.443 1.00 0.25 O ATOM 656 CB ASN A 42 -4.239 -11.670 -5.004 1.00 0.40 C ATOM 657 CG ASN A 42 -5.055 -11.020 -6.122 1.00 0.48 C ATOM 658 OD1 ASN A 42 -4.687 -9.974 -6.659 1.00 0.66 O ATOM 659 ND2 ASN A 42 -6.177 -11.637 -6.470 1.00 0.91 N ATOM 0 H ASN A 42 -5.061 -9.039 -3.995 1.00 0.33 H new ATOM 0 HA ASN A 42 -3.323 -11.247 -3.103 1.00 0.31 H new ATOM 0 HB2 ASN A 42 -3.382 -12.181 -5.443 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -4.849 -12.431 -4.518 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -6.767 -11.247 -7.205 1.00 0.91 H new ATOM 0 HD22 ASN A 42 -6.450 -12.502 -6.003 1.00 0.91 H new ATOM 666 N GLN A 43 -1.556 -10.416 -5.012 1.00 0.24 N ATOM 667 CA GLN A 43 -0.398 -9.701 -5.571 1.00 0.26 C ATOM 668 C GLN A 43 -0.806 -8.708 -6.670 1.00 0.22 C ATOM 669 O GLN A 43 -0.354 -7.561 -6.671 1.00 0.24 O ATOM 670 CB GLN A 43 0.629 -10.706 -6.125 1.00 0.37 C ATOM 671 CG GLN A 43 1.998 -10.093 -6.430 1.00 0.56 C ATOM 672 CD GLN A 43 3.132 -10.735 -5.645 1.00 0.88 C ATOM 673 OE1 GLN A 43 3.419 -10.339 -4.515 1.00 1.66 O ATOM 674 NE2 GLN A 43 3.766 -11.743 -6.226 1.00 1.43 N ATOM 0 H GLN A 43 -1.477 -11.432 -5.059 1.00 0.24 H new ATOM 0 HA GLN A 43 0.052 -9.127 -4.761 1.00 0.26 H new ATOM 0 HB2 GLN A 43 0.757 -11.514 -5.405 1.00 0.37 H new ATOM 0 HB3 GLN A 43 0.231 -11.152 -7.036 1.00 0.37 H new ATOM 0 HG2 GLN A 43 2.203 -10.190 -7.496 1.00 0.56 H new ATOM 0 HG3 GLN A 43 1.969 -9.026 -6.207 1.00 0.56 H new ATOM 0 HE21 GLN A 43 3.498 -12.041 -7.164 1.00 1.43 H new ATOM 0 HE22 GLN A 43 4.522 -12.221 -5.735 1.00 1.43 H new ATOM 683 N SER A 44 -1.684 -9.142 -7.575 1.00 0.25 N ATOM 684 CA SER A 44 -2.157 -8.308 -8.683 1.00 0.29 C ATOM 685 C SER A 44 -2.884 -7.046 -8.196 1.00 0.28 C ATOM 686 O SER A 44 -2.569 -5.940 -8.628 1.00 0.34 O ATOM 687 CB SER A 44 -3.068 -9.125 -9.602 1.00 0.36 C ATOM 688 OG SER A 44 -2.744 -10.511 -9.586 1.00 0.83 O ATOM 0 H SER A 44 -2.087 -10.079 -7.562 1.00 0.25 H new ATOM 0 HA SER A 44 -1.280 -7.977 -9.239 1.00 0.29 H new ATOM 0 HB2 SER A 44 -4.105 -8.992 -9.294 1.00 0.36 H new ATOM 0 HB3 SER A 44 -2.987 -8.746 -10.621 1.00 0.36 H new ATOM 0 HG SER A 44 -3.350 -10.996 -10.184 1.00 0.83 H new ATOM 694 N LYS A 45 -3.827 -7.217 -7.267 1.00 0.27 N ATOM 695 CA LYS A 45 -4.587 -6.085 -6.707 1.00 0.30 C ATOM 696 C LYS A 45 -3.664 -5.078 -6.000 1.00 0.22 C ATOM 697 O LYS A 45 -3.868 -3.868 -6.087 1.00 0.26 O ATOM 698 CB LYS A 45 -5.658 -6.598 -5.728 1.00 0.39 C ATOM 699 CG LYS A 45 -6.895 -5.705 -5.643 1.00 0.64 C ATOM 700 CD LYS A 45 -8.180 -6.531 -5.595 1.00 1.44 C ATOM 701 CE LYS A 45 -9.406 -5.672 -5.305 1.00 1.92 C ATOM 702 NZ LYS A 45 -9.470 -4.468 -6.177 1.00 2.16 N ATOM 0 H LYS A 45 -4.086 -8.126 -6.883 1.00 0.27 H new ATOM 0 HA LYS A 45 -5.073 -5.568 -7.535 1.00 0.30 H new ATOM 0 HB2 LYS A 45 -5.964 -7.599 -6.031 1.00 0.39 H new ATOM 0 HB3 LYS A 45 -5.217 -6.687 -4.735 1.00 0.39 H new ATOM 0 HG2 LYS A 45 -6.831 -5.077 -4.754 1.00 0.64 H new ATOM 0 HG3 LYS A 45 -6.923 -5.037 -6.504 1.00 0.64 H new ATOM 0 HD2 LYS A 45 -8.315 -7.045 -6.547 1.00 1.44 H new ATOM 0 HD3 LYS A 45 -8.087 -7.300 -4.828 1.00 1.44 H new ATOM 0 HE2 LYS A 45 -10.307 -6.269 -5.447 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -9.390 -5.361 -4.260 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -10.389 -3.998 -6.053 1.00 2.16 H new ATOM 0 HZ2 LYS A 45 -8.707 -3.810 -5.918 1.00 2.16 H new ATOM 0 HZ3 LYS A 45 -9.358 -4.753 -7.171 1.00 2.16 H new ATOM 716 N VAL A 46 -2.642 -5.598 -5.321 1.00 0.17 N ATOM 717 CA VAL A 46 -1.657 -4.775 -4.611 1.00 0.15 C ATOM 718 C VAL A 46 -0.710 -4.069 -5.598 1.00 0.15 C ATOM 719 O VAL A 46 -0.433 -2.880 -5.447 1.00 0.20 O ATOM 720 CB VAL A 46 -0.888 -5.640 -3.578 1.00 0.18 C ATOM 721 CG1 VAL A 46 0.395 -4.975 -3.094 1.00 0.23 C ATOM 722 CG2 VAL A 46 -1.801 -5.939 -2.389 1.00 0.22 C ATOM 0 H VAL A 46 -2.472 -6.601 -5.246 1.00 0.17 H new ATOM 0 HA VAL A 46 -2.180 -3.990 -4.065 1.00 0.15 H new ATOM 0 HB VAL A 46 -0.597 -6.565 -4.076 1.00 0.18 H new ATOM 0 HG11 VAL A 46 0.892 -5.624 -2.373 1.00 0.23 H new ATOM 0 HG12 VAL A 46 1.057 -4.801 -3.942 1.00 0.23 H new ATOM 0 HG13 VAL A 46 0.155 -4.023 -2.620 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -1.263 -6.547 -1.661 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -2.110 -5.003 -1.923 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -2.682 -6.480 -2.734 1.00 0.22 H new ATOM 732 N SER A 47 -0.274 -4.779 -6.647 1.00 0.17 N ATOM 733 CA SER A 47 0.587 -4.188 -7.685 1.00 0.21 C ATOM 734 C SER A 47 -0.191 -3.158 -8.524 1.00 0.22 C ATOM 735 O SER A 47 0.374 -2.157 -8.977 1.00 0.24 O ATOM 736 CB SER A 47 1.174 -5.287 -8.591 1.00 0.29 C ATOM 737 OG SER A 47 2.506 -4.989 -8.985 1.00 1.26 O ATOM 0 H SER A 47 -0.502 -5.761 -6.801 1.00 0.17 H new ATOM 0 HA SER A 47 1.409 -3.671 -7.189 1.00 0.21 H new ATOM 0 HB2 SER A 47 1.155 -6.241 -8.064 1.00 0.29 H new ATOM 0 HB3 SER A 47 0.549 -5.400 -9.477 1.00 0.29 H new ATOM 0 HG SER A 47 2.847 -5.708 -9.557 1.00 1.26 H new ATOM 743 N ARG A 48 -1.496 -3.398 -8.706 1.00 0.23 N ATOM 744 CA ARG A 48 -2.367 -2.472 -9.437 1.00 0.26 C ATOM 745 C ARG A 48 -2.614 -1.206 -8.610 1.00 0.20 C ATOM 746 O ARG A 48 -2.507 -0.096 -9.126 1.00 0.22 O ATOM 747 CB ARG A 48 -3.697 -3.148 -9.798 1.00 0.32 C ATOM 748 CG ARG A 48 -3.590 -4.079 -10.997 1.00 0.41 C ATOM 749 CD ARG A 48 -4.853 -4.910 -11.187 1.00 1.03 C ATOM 750 NE ARG A 48 -5.231 -5.010 -12.600 1.00 1.58 N ATOM 751 CZ ARG A 48 -6.149 -5.853 -13.074 1.00 2.32 C ATOM 752 NH1 ARG A 48 -6.796 -6.674 -12.261 1.00 2.75 N ATOM 753 NH2 ARG A 48 -6.415 -5.865 -14.373 1.00 3.20 N ATOM 0 H ARG A 48 -1.972 -4.229 -8.355 1.00 0.23 H new ATOM 0 HA ARG A 48 -1.867 -2.189 -10.363 1.00 0.26 H new ATOM 0 HB2 ARG A 48 -4.055 -3.714 -8.938 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -4.442 -2.381 -10.007 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -3.403 -3.492 -11.896 1.00 0.41 H new ATOM 0 HG3 ARG A 48 -2.735 -4.743 -10.866 1.00 0.41 H new ATOM 0 HD2 ARG A 48 -4.695 -5.909 -10.781 1.00 1.03 H new ATOM 0 HD3 ARG A 48 -5.671 -4.462 -10.623 1.00 1.03 H new ATOM 0 HE ARG A 48 -4.761 -4.395 -13.264 1.00 1.58 H new ATOM 0 HH11 ARG A 48 -6.594 -6.666 -11.261 1.00 2.75 H new ATOM 0 HH12 ARG A 48 -7.496 -7.315 -12.635 1.00 2.75 H new ATOM 0 HH21 ARG A 48 -5.919 -5.233 -15.001 1.00 3.20 H new ATOM 0 HH22 ARG A 48 -7.116 -6.507 -14.744 1.00 3.20 H new ATOM 767 N MET A 49 -2.867 -1.380 -7.306 1.00 0.17 N ATOM 768 CA MET A 49 -3.047 -0.245 -6.392 1.00 0.16 C ATOM 769 C MET A 49 -1.749 0.573 -6.280 1.00 0.13 C ATOM 770 O MET A 49 -1.787 1.801 -6.221 1.00 0.14 O ATOM 771 CB MET A 49 -3.493 -0.733 -5.004 1.00 0.18 C ATOM 772 CG MET A 49 -4.973 -1.078 -4.929 1.00 0.27 C ATOM 773 SD MET A 49 -5.364 -2.210 -3.576 1.00 1.49 S ATOM 774 CE MET A 49 -5.793 -1.063 -2.268 1.00 2.00 C ATOM 0 H MET A 49 -2.951 -2.294 -6.861 1.00 0.17 H new ATOM 0 HA MET A 49 -3.827 0.399 -6.799 1.00 0.16 H new ATOM 0 HB2 MET A 49 -2.909 -1.612 -4.732 1.00 0.18 H new ATOM 0 HB3 MET A 49 -3.270 0.039 -4.267 1.00 0.18 H new ATOM 0 HG2 MET A 49 -5.549 -0.161 -4.806 1.00 0.27 H new ATOM 0 HG3 MET A 49 -5.285 -1.526 -5.872 1.00 0.27 H new ATOM 0 HE1 MET A 49 -5.609 -1.529 -1.300 1.00 2.00 H new ATOM 0 HE2 MET A 49 -5.184 -0.163 -2.359 1.00 2.00 H new ATOM 0 HE3 MET A 49 -6.847 -0.797 -2.348 1.00 2.00 H new ATOM 784 N LEU A 50 -0.602 -0.118 -6.321 1.00 0.13 N ATOM 785 CA LEU A 50 0.715 0.533 -6.284 1.00 0.14 C ATOM 786 C LEU A 50 0.917 1.453 -7.500 1.00 0.17 C ATOM 787 O LEU A 50 1.319 2.608 -7.358 1.00 0.21 O ATOM 788 CB LEU A 50 1.835 -0.525 -6.217 1.00 0.18 C ATOM 789 CG LEU A 50 2.175 -1.002 -4.800 1.00 0.19 C ATOM 790 CD1 LEU A 50 2.762 -2.409 -4.820 1.00 0.33 C ATOM 791 CD2 LEU A 50 3.124 -0.037 -4.109 1.00 0.32 C ATOM 0 H LEU A 50 -0.560 -1.135 -6.380 1.00 0.13 H new ATOM 0 HA LEU A 50 0.760 1.150 -5.387 1.00 0.14 H new ATOM 0 HB2 LEU A 50 1.540 -1.387 -6.816 1.00 0.18 H new ATOM 0 HB3 LEU A 50 2.735 -0.113 -6.674 1.00 0.18 H new ATOM 0 HG LEU A 50 1.246 -1.029 -4.231 1.00 0.19 H new ATOM 0 HD11 LEU A 50 2.994 -2.721 -3.802 1.00 0.33 H new ATOM 0 HD12 LEU A 50 2.039 -3.099 -5.255 1.00 0.33 H new ATOM 0 HD13 LEU A 50 3.674 -2.414 -5.417 1.00 0.33 H new ATOM 0 HD21 LEU A 50 3.347 -0.401 -3.106 1.00 0.32 H new ATOM 0 HD22 LEU A 50 4.048 0.037 -4.682 1.00 0.32 H new ATOM 0 HD23 LEU A 50 2.658 0.946 -4.042 1.00 0.32 H new ATOM 803 N THR A 51 0.591 0.935 -8.689 1.00 0.19 N ATOM 804 CA THR A 51 0.696 1.700 -9.939 1.00 0.23 C ATOM 805 C THR A 51 -0.394 2.786 -10.024 1.00 0.24 C ATOM 806 O THR A 51 -0.151 3.886 -10.522 1.00 0.32 O ATOM 807 CB THR A 51 0.593 0.747 -11.145 1.00 0.28 C ATOM 808 OG1 THR A 51 1.449 -0.379 -10.976 1.00 0.35 O ATOM 809 CG2 THR A 51 0.955 1.399 -12.468 1.00 0.34 C ATOM 0 H THR A 51 0.250 -0.018 -8.813 1.00 0.19 H new ATOM 0 HA THR A 51 1.665 2.198 -9.954 1.00 0.23 H new ATOM 0 HB THR A 51 -0.455 0.449 -11.180 1.00 0.28 H new ATOM 0 HG1 THR A 51 1.051 -0.998 -10.329 1.00 0.35 H new ATOM 0 HG21 THR A 51 0.860 0.669 -13.272 1.00 0.34 H new ATOM 0 HG22 THR A 51 0.283 2.236 -12.657 1.00 0.34 H new ATOM 0 HG23 THR A 51 1.982 1.761 -12.426 1.00 0.34 H new ATOM 817 N LYS A 52 -1.589 2.464 -9.516 1.00 0.20 N ATOM 818 CA LYS A 52 -2.734 3.387 -9.519 1.00 0.22 C ATOM 819 C LYS A 52 -2.477 4.608 -8.628 1.00 0.24 C ATOM 820 O LYS A 52 -2.610 5.753 -9.067 1.00 0.32 O ATOM 821 CB LYS A 52 -3.993 2.642 -9.041 1.00 0.22 C ATOM 822 CG LYS A 52 -5.265 3.489 -9.024 1.00 0.32 C ATOM 823 CD LYS A 52 -5.632 3.949 -7.612 1.00 0.46 C ATOM 824 CE LYS A 52 -6.971 4.677 -7.579 1.00 0.74 C ATOM 825 NZ LYS A 52 -8.076 3.838 -8.108 1.00 1.23 N ATOM 0 H LYS A 52 -1.791 1.559 -9.092 1.00 0.20 H new ATOM 0 HA LYS A 52 -2.880 3.746 -10.538 1.00 0.22 H new ATOM 0 HB2 LYS A 52 -4.156 1.779 -9.686 1.00 0.22 H new ATOM 0 HB3 LYS A 52 -3.813 2.259 -8.036 1.00 0.22 H new ATOM 0 HG2 LYS A 52 -5.128 4.360 -9.664 1.00 0.32 H new ATOM 0 HG3 LYS A 52 -6.090 2.912 -9.443 1.00 0.32 H new ATOM 0 HD2 LYS A 52 -5.672 3.085 -6.948 1.00 0.46 H new ATOM 0 HD3 LYS A 52 -4.852 4.608 -7.231 1.00 0.46 H new ATOM 0 HE2 LYS A 52 -7.198 4.971 -6.554 1.00 0.74 H new ATOM 0 HE3 LYS A 52 -6.900 5.593 -8.165 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 -8.989 4.248 -7.825 1.00 1.23 H new ATOM 0 HZ2 LYS A 52 -8.019 3.803 -9.146 1.00 1.23 H new ATOM 0 HZ3 LYS A 52 -7.995 2.875 -7.724 1.00 1.23 H new ATOM 839 N PHE A 53 -2.127 4.350 -7.367 1.00 0.23 N ATOM 840 CA PHE A 53 -1.857 5.410 -6.390 1.00 0.27 C ATOM 841 C PHE A 53 -0.552 6.157 -6.700 1.00 0.31 C ATOM 842 O PHE A 53 -0.426 7.342 -6.391 1.00 0.49 O ATOM 843 CB PHE A 53 -1.798 4.814 -4.976 1.00 0.25 C ATOM 844 CG PHE A 53 -3.144 4.404 -4.426 1.00 0.27 C ATOM 845 CD1 PHE A 53 -4.196 5.311 -4.382 1.00 1.13 C ATOM 846 CD2 PHE A 53 -3.351 3.127 -3.928 1.00 1.24 C ATOM 847 CE1 PHE A 53 -5.424 4.943 -3.867 1.00 1.13 C ATOM 848 CE2 PHE A 53 -4.573 2.756 -3.415 1.00 1.27 C ATOM 849 CZ PHE A 53 -5.612 3.665 -3.383 1.00 0.37 C ATOM 0 H PHE A 53 -2.023 3.406 -6.994 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.671 6.132 -6.451 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -1.141 3.944 -4.986 1.00 0.25 H new ATOM 0 HB3 PHE A 53 -1.349 5.545 -4.303 1.00 0.25 H new ATOM 0 HD1 PHE A 53 -4.052 6.314 -4.754 1.00 1.13 H new ATOM 0 HD2 PHE A 53 -2.541 2.413 -3.943 1.00 1.24 H new ATOM 0 HE1 PHE A 53 -6.236 5.655 -3.843 1.00 1.13 H new ATOM 0 HE2 PHE A 53 -4.719 1.755 -3.038 1.00 1.27 H new ATOM 0 HZ PHE A 53 -6.571 3.376 -2.979 1.00 0.37 H new ATOM 859 N GLY A 54 0.414 5.457 -7.300 1.00 0.27 N ATOM 860 CA GLY A 54 1.697 6.065 -7.632 1.00 0.32 C ATOM 861 C GLY A 54 2.702 5.952 -6.501 1.00 0.28 C ATOM 862 O GLY A 54 3.276 6.951 -6.069 1.00 0.32 O ATOM 0 H GLY A 54 0.330 4.475 -7.563 1.00 0.27 H new ATOM 0 HA2 GLY A 54 2.103 5.587 -8.524 1.00 0.32 H new ATOM 0 HA3 GLY A 54 1.545 7.117 -7.876 1.00 0.32 H new ATOM 866 N ALA A 55 2.893 4.730 -5.999 1.00 0.25 N ATOM 867 CA ALA A 55 3.858 4.467 -4.927 1.00 0.24 C ATOM 868 C ALA A 55 5.277 4.357 -5.491 1.00 0.25 C ATOM 869 O ALA A 55 5.487 3.746 -6.540 1.00 0.43 O ATOM 870 CB ALA A 55 3.481 3.197 -4.179 1.00 0.30 C ATOM 0 H ALA A 55 2.390 3.903 -6.319 1.00 0.25 H new ATOM 0 HA ALA A 55 3.834 5.303 -4.228 1.00 0.24 H new ATOM 0 HB1 ALA A 55 4.206 3.013 -3.386 1.00 0.30 H new ATOM 0 HB2 ALA A 55 2.488 3.312 -3.744 1.00 0.30 H new ATOM 0 HB3 ALA A 55 3.479 2.354 -4.871 1.00 0.30 H new ATOM 876 N VAL A 56 6.238 4.958 -4.792 1.00 0.22 N ATOM 877 CA VAL A 56 7.644 4.945 -5.213 1.00 0.26 C ATOM 878 C VAL A 56 8.487 4.074 -4.277 1.00 0.26 C ATOM 879 O VAL A 56 8.222 4.012 -3.078 1.00 0.39 O ATOM 880 CB VAL A 56 8.229 6.383 -5.249 1.00 0.34 C ATOM 881 CG1 VAL A 56 7.389 7.279 -6.151 1.00 0.55 C ATOM 882 CG2 VAL A 56 8.330 6.985 -3.848 1.00 0.44 C ATOM 0 H VAL A 56 6.069 5.465 -3.923 1.00 0.22 H new ATOM 0 HA VAL A 56 7.679 4.524 -6.218 1.00 0.26 H new ATOM 0 HB VAL A 56 9.238 6.318 -5.656 1.00 0.34 H new ATOM 0 HG11 VAL A 56 7.814 8.283 -6.164 1.00 0.55 H new ATOM 0 HG12 VAL A 56 7.384 6.874 -7.163 1.00 0.55 H new ATOM 0 HG13 VAL A 56 6.368 7.322 -5.772 1.00 0.55 H new ATOM 0 HG21 VAL A 56 8.744 7.991 -3.913 1.00 0.44 H new ATOM 0 HG22 VAL A 56 7.338 7.029 -3.398 1.00 0.44 H new ATOM 0 HG23 VAL A 56 8.981 6.365 -3.232 1.00 0.44 H new ATOM 892 N ARG A 57 9.491 3.398 -4.835 1.00 0.39 N ATOM 893 CA ARG A 57 10.408 2.572 -4.041 1.00 0.41 C ATOM 894 C ARG A 57 11.695 3.343 -3.758 1.00 0.46 C ATOM 895 O ARG A 57 12.224 4.029 -4.638 1.00 0.58 O ATOM 896 CB ARG A 57 10.739 1.266 -4.768 1.00 0.48 C ATOM 897 CG ARG A 57 9.541 0.344 -4.954 1.00 0.65 C ATOM 898 CD ARG A 57 9.966 -1.019 -5.489 1.00 0.87 C ATOM 899 NE ARG A 57 10.713 -1.796 -4.494 1.00 0.83 N ATOM 900 CZ ARG A 57 11.650 -2.707 -4.791 1.00 1.10 C ATOM 901 NH1 ARG A 57 11.984 -2.946 -6.058 1.00 1.87 N ATOM 902 NH2 ARG A 57 12.264 -3.362 -3.818 1.00 1.34 N ATOM 0 H ARG A 57 9.692 3.405 -5.835 1.00 0.39 H new ATOM 0 HA ARG A 57 9.916 2.329 -3.099 1.00 0.41 H new ATOM 0 HB2 ARG A 57 11.159 1.502 -5.746 1.00 0.48 H new ATOM 0 HB3 ARG A 57 11.510 0.736 -4.209 1.00 0.48 H new ATOM 0 HG2 ARG A 57 9.025 0.218 -4.002 1.00 0.65 H new ATOM 0 HG3 ARG A 57 8.831 0.802 -5.643 1.00 0.65 H new ATOM 0 HD2 ARG A 57 9.082 -1.579 -5.796 1.00 0.87 H new ATOM 0 HD3 ARG A 57 10.582 -0.883 -6.378 1.00 0.87 H new ATOM 0 HE ARG A 57 10.505 -1.632 -3.509 1.00 0.83 H new ATOM 0 HH11 ARG A 57 11.526 -2.434 -6.812 1.00 1.87 H new ATOM 0 HH12 ARG A 57 12.698 -3.641 -6.275 1.00 1.87 H new ATOM 0 HH21 ARG A 57 12.024 -3.173 -2.845 1.00 1.34 H new ATOM 0 HH22 ARG A 57 12.977 -4.056 -4.041 1.00 1.34 H new ATOM 916 N THR A 58 12.203 3.219 -2.538 1.00 0.44 N ATOM 917 CA THR A 58 13.423 3.930 -2.137 1.00 0.54 C ATOM 918 C THR A 58 14.077 3.275 -0.913 1.00 0.50 C ATOM 919 O THR A 58 13.528 2.345 -0.319 1.00 0.44 O ATOM 920 CB THR A 58 13.100 5.415 -1.851 1.00 0.69 C ATOM 921 OG1 THR A 58 14.288 6.201 -1.827 1.00 1.32 O ATOM 922 CG2 THR A 58 12.363 5.643 -0.541 1.00 1.17 C ATOM 0 H THR A 58 11.795 2.636 -1.807 1.00 0.44 H new ATOM 0 HA THR A 58 14.135 3.873 -2.960 1.00 0.54 H new ATOM 0 HB THR A 58 12.444 5.719 -2.667 1.00 0.69 H new ATOM 0 HG1 THR A 58 14.058 7.136 -1.646 1.00 1.32 H new ATOM 0 HG21 THR A 58 12.172 6.708 -0.411 1.00 1.17 H new ATOM 0 HG22 THR A 58 11.416 5.104 -0.558 1.00 1.17 H new ATOM 0 HG23 THR A 58 12.972 5.280 0.287 1.00 1.17 H new ATOM 930 N ARG A 59 15.265 3.771 -0.552 1.00 0.59 N ATOM 931 CA ARG A 59 15.996 3.280 0.617 1.00 0.63 C ATOM 932 C ARG A 59 15.458 3.948 1.889 1.00 0.69 C ATOM 933 O ARG A 59 15.384 5.175 1.965 1.00 0.83 O ATOM 934 CB ARG A 59 17.507 3.559 0.457 1.00 0.78 C ATOM 935 CG ARG A 59 18.342 2.317 0.137 1.00 1.38 C ATOM 936 CD ARG A 59 19.695 2.335 0.848 1.00 1.32 C ATOM 937 NE ARG A 59 20.803 2.697 -0.046 1.00 1.45 N ATOM 938 CZ ARG A 59 21.954 3.241 0.360 1.00 1.72 C ATOM 939 NH1 ARG A 59 22.152 3.516 1.646 1.00 2.35 N ATOM 940 NH2 ARG A 59 22.908 3.509 -0.522 1.00 2.08 N ATOM 0 H ARG A 59 15.742 4.517 -1.058 1.00 0.59 H new ATOM 0 HA ARG A 59 15.851 2.203 0.700 1.00 0.63 H new ATOM 0 HB2 ARG A 59 17.648 4.293 -0.337 1.00 0.78 H new ATOM 0 HB3 ARG A 59 17.882 4.008 1.377 1.00 0.78 H new ATOM 0 HG2 ARG A 59 17.790 1.424 0.431 1.00 1.38 H new ATOM 0 HG3 ARG A 59 18.500 2.254 -0.940 1.00 1.38 H new ATOM 0 HD2 ARG A 59 19.656 3.043 1.676 1.00 1.32 H new ATOM 0 HD3 ARG A 59 19.887 1.352 1.278 1.00 1.32 H new ATOM 0 HE ARG A 59 20.686 2.521 -1.044 1.00 1.45 H new ATOM 0 HH11 ARG A 59 21.423 3.312 2.329 1.00 2.35 H new ATOM 0 HH12 ARG A 59 23.033 3.931 1.949 1.00 2.35 H new ATOM 0 HH21 ARG A 59 22.763 3.300 -1.510 1.00 2.08 H new ATOM 0 HH22 ARG A 59 23.787 3.924 -0.212 1.00 2.08 H new ATOM 954 N ASN A 60 15.069 3.133 2.875 1.00 0.68 N ATOM 955 CA ASN A 60 14.532 3.645 4.146 1.00 0.81 C ATOM 956 C ASN A 60 15.649 3.900 5.169 1.00 0.95 C ATOM 957 O ASN A 60 16.838 3.885 4.831 1.00 1.04 O ATOM 958 CB ASN A 60 13.448 2.685 4.705 1.00 0.82 C ATOM 959 CG ASN A 60 13.982 1.378 5.290 1.00 0.78 C ATOM 960 OD1 ASN A 60 15.173 1.077 5.215 1.00 1.00 O ATOM 961 ND2 ASN A 60 13.097 0.603 5.900 1.00 0.83 N ATOM 0 H ASN A 60 15.115 2.116 2.820 1.00 0.68 H new ATOM 0 HA ASN A 60 14.059 4.607 3.951 1.00 0.81 H new ATOM 0 HB2 ASN A 60 12.885 3.208 5.478 1.00 0.82 H new ATOM 0 HB3 ASN A 60 12.747 2.448 3.905 1.00 0.82 H new ATOM 0 HD21 ASN A 60 13.395 -0.274 6.326 1.00 0.83 H new ATOM 0 HD22 ASN A 60 12.117 0.884 5.943 1.00 0.83 H new ATOM 968 N ALA A 61 15.252 4.107 6.430 1.00 1.04 N ATOM 969 CA ALA A 61 16.193 4.395 7.525 1.00 1.20 C ATOM 970 C ALA A 61 17.281 3.322 7.680 1.00 1.20 C ATOM 971 O ALA A 61 18.416 3.639 8.044 1.00 1.38 O ATOM 972 CB ALA A 61 15.434 4.563 8.840 1.00 1.32 C ATOM 0 H ALA A 61 14.275 4.080 6.722 1.00 1.04 H new ATOM 0 HA ALA A 61 16.700 5.325 7.267 1.00 1.20 H new ATOM 0 HB1 ALA A 61 16.140 4.776 9.643 1.00 1.32 H new ATOM 0 HB2 ALA A 61 14.728 5.388 8.750 1.00 1.32 H new ATOM 0 HB3 ALA A 61 14.892 3.645 9.067 1.00 1.32 H new ATOM 978 N LYS A 62 16.931 2.052 7.425 1.00 1.07 N ATOM 979 CA LYS A 62 17.886 0.942 7.553 1.00 1.12 C ATOM 980 C LYS A 62 18.378 0.426 6.195 1.00 1.01 C ATOM 981 O LYS A 62 18.800 -0.726 6.085 1.00 1.02 O ATOM 982 CB LYS A 62 17.277 -0.207 8.357 1.00 1.21 C ATOM 983 CG LYS A 62 16.799 0.210 9.745 1.00 1.40 C ATOM 984 CD LYS A 62 16.726 -0.972 10.704 1.00 2.00 C ATOM 985 CE LYS A 62 15.620 -0.787 11.740 1.00 2.34 C ATOM 986 NZ LYS A 62 14.273 -1.059 11.171 1.00 2.62 N ATOM 0 H LYS A 62 15.996 1.769 7.130 1.00 1.07 H new ATOM 0 HA LYS A 62 18.751 1.338 8.084 1.00 1.12 H new ATOM 0 HB2 LYS A 62 16.437 -0.624 7.802 1.00 1.21 H new ATOM 0 HB3 LYS A 62 18.017 -1.001 8.459 1.00 1.21 H new ATOM 0 HG2 LYS A 62 17.475 0.964 10.150 1.00 1.40 H new ATOM 0 HG3 LYS A 62 15.816 0.673 9.665 1.00 1.40 H new ATOM 0 HD2 LYS A 62 16.548 -1.888 10.141 1.00 2.00 H new ATOM 0 HD3 LYS A 62 17.684 -1.090 11.211 1.00 2.00 H new ATOM 0 HE2 LYS A 62 15.798 -1.453 12.584 1.00 2.34 H new ATOM 0 HE3 LYS A 62 15.652 0.232 12.126 1.00 2.34 H new ATOM 0 HZ1 LYS A 62 13.550 -0.583 11.748 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 14.229 -0.700 10.196 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 14.097 -2.084 11.171 1.00 2.62 H new ATOM 1000 N MET A 63 18.382 1.295 5.185 1.00 0.97 N ATOM 1001 CA MET A 63 18.920 0.962 3.855 1.00 0.94 C ATOM 1002 C MET A 63 18.125 -0.134 3.119 1.00 0.80 C ATOM 1003 O MET A 63 18.665 -0.787 2.222 1.00 0.86 O ATOM 1004 CB MET A 63 20.403 0.541 3.970 1.00 1.12 C ATOM 1005 CG MET A 63 21.167 1.242 5.081 1.00 1.30 C ATOM 1006 SD MET A 63 22.927 1.384 4.730 1.00 2.18 S ATOM 1007 CE MET A 63 23.414 -0.338 4.715 1.00 3.12 C ATOM 0 H MET A 63 18.017 2.244 5.258 1.00 0.97 H new ATOM 0 HA MET A 63 18.826 1.868 3.257 1.00 0.94 H new ATOM 0 HB2 MET A 63 20.451 -0.535 4.135 1.00 1.12 H new ATOM 0 HB3 MET A 63 20.900 0.741 3.021 1.00 1.12 H new ATOM 0 HG2 MET A 63 20.749 2.237 5.232 1.00 1.30 H new ATOM 0 HG3 MET A 63 21.029 0.694 6.013 1.00 1.30 H new ATOM 0 HE1 MET A 63 24.493 -0.410 4.580 1.00 3.12 H new ATOM 0 HE2 MET A 63 23.134 -0.803 5.660 1.00 3.12 H new ATOM 0 HE3 MET A 63 22.911 -0.851 3.895 1.00 3.12 H new ATOM 1017 N GLU A 64 16.846 -0.311 3.464 1.00 0.73 N ATOM 1018 CA GLU A 64 15.996 -1.314 2.806 1.00 0.64 C ATOM 1019 C GLU A 64 15.218 -0.686 1.636 1.00 0.52 C ATOM 1020 O GLU A 64 14.617 0.379 1.787 1.00 0.49 O ATOM 1021 CB GLU A 64 15.015 -1.941 3.813 1.00 0.70 C ATOM 1022 CG GLU A 64 15.666 -2.370 5.128 1.00 0.88 C ATOM 1023 CD GLU A 64 14.799 -3.314 5.938 1.00 1.35 C ATOM 1024 OE1 GLU A 64 14.692 -4.495 5.556 1.00 1.79 O ATOM 1025 OE2 GLU A 64 14.232 -2.882 6.960 1.00 2.03 O ATOM 0 H GLU A 64 16.375 0.225 4.193 1.00 0.73 H new ATOM 0 HA GLU A 64 16.644 -2.098 2.414 1.00 0.64 H new ATOM 0 HB2 GLU A 64 14.223 -1.224 4.028 1.00 0.70 H new ATOM 0 HB3 GLU A 64 14.543 -2.809 3.353 1.00 0.70 H new ATOM 0 HG2 GLU A 64 16.619 -2.854 4.914 1.00 0.88 H new ATOM 0 HG3 GLU A 64 15.885 -1.484 5.725 1.00 0.88 H new ATOM 1032 N MET A 65 15.242 -1.351 0.476 1.00 0.52 N ATOM 1033 CA MET A 65 14.532 -0.873 -0.723 1.00 0.48 C ATOM 1034 C MET A 65 13.036 -1.180 -0.613 1.00 0.43 C ATOM 1035 O MET A 65 12.588 -2.265 -1.004 1.00 0.62 O ATOM 1036 CB MET A 65 15.114 -1.538 -1.980 1.00 0.58 C ATOM 1037 CG MET A 65 16.540 -1.105 -2.308 1.00 0.71 C ATOM 1038 SD MET A 65 16.692 -0.393 -3.963 1.00 1.38 S ATOM 1039 CE MET A 65 15.800 1.147 -3.761 1.00 1.18 C ATOM 0 H MET A 65 15.747 -2.226 0.338 1.00 0.52 H new ATOM 0 HA MET A 65 14.663 0.206 -0.799 1.00 0.48 H new ATOM 0 HB2 MET A 65 15.095 -2.620 -1.848 1.00 0.58 H new ATOM 0 HB3 MET A 65 14.471 -1.309 -2.830 1.00 0.58 H new ATOM 0 HG2 MET A 65 16.872 -0.374 -1.571 1.00 0.71 H new ATOM 0 HG3 MET A 65 17.204 -1.965 -2.225 1.00 0.71 H new ATOM 0 HE1 MET A 65 15.808 1.698 -4.701 1.00 1.18 H new ATOM 0 HE2 MET A 65 14.770 0.936 -3.473 1.00 1.18 H new ATOM 0 HE3 MET A 65 16.278 1.746 -2.986 1.00 1.18 H new ATOM 1049 N VAL A 66 12.267 -0.231 -0.071 1.00 0.32 N ATOM 1050 CA VAL A 66 10.836 -0.437 0.156 1.00 0.28 C ATOM 1051 C VAL A 66 9.954 0.647 -0.472 1.00 0.25 C ATOM 1052 O VAL A 66 10.417 1.729 -0.835 1.00 0.30 O ATOM 1053 CB VAL A 66 10.521 -0.547 1.674 1.00 0.29 C ATOM 1054 CG1 VAL A 66 11.319 -1.684 2.313 1.00 0.32 C ATOM 1055 CG2 VAL A 66 10.805 0.771 2.395 1.00 0.31 C ATOM 0 H VAL A 66 12.612 0.685 0.218 1.00 0.32 H new ATOM 0 HA VAL A 66 10.595 -1.376 -0.341 1.00 0.28 H new ATOM 0 HB VAL A 66 9.458 -0.768 1.776 1.00 0.29 H new ATOM 0 HG11 VAL A 66 11.083 -1.742 3.375 1.00 0.32 H new ATOM 0 HG12 VAL A 66 11.059 -2.627 1.831 1.00 0.32 H new ATOM 0 HG13 VAL A 66 12.385 -1.495 2.188 1.00 0.32 H new ATOM 0 HG21 VAL A 66 10.575 0.663 3.455 1.00 0.31 H new ATOM 0 HG22 VAL A 66 11.857 1.031 2.277 1.00 0.31 H new ATOM 0 HG23 VAL A 66 10.186 1.560 1.968 1.00 0.31 H new ATOM 1065 N TYR A 67 8.671 0.309 -0.585 1.00 0.23 N ATOM 1066 CA TYR A 67 7.631 1.179 -1.130 1.00 0.22 C ATOM 1067 C TYR A 67 7.284 2.311 -0.159 1.00 0.23 C ATOM 1068 O TYR A 67 7.262 2.111 1.060 1.00 0.36 O ATOM 1069 CB TYR A 67 6.348 0.359 -1.391 1.00 0.22 C ATOM 1070 CG TYR A 67 6.331 -0.428 -2.690 1.00 0.20 C ATOM 1071 CD1 TYR A 67 6.449 0.220 -3.912 1.00 1.16 C ATOM 1072 CD2 TYR A 67 6.114 -1.804 -2.693 1.00 1.15 C ATOM 1073 CE1 TYR A 67 6.402 -0.481 -5.101 1.00 1.13 C ATOM 1074 CE2 TYR A 67 6.063 -2.517 -3.877 1.00 1.19 C ATOM 1075 CZ TYR A 67 6.208 -1.850 -5.080 1.00 0.26 C ATOM 1076 OH TYR A 67 6.159 -2.554 -6.263 1.00 0.32 O ATOM 0 H TYR A 67 8.317 -0.602 -0.292 1.00 0.23 H new ATOM 0 HA TYR A 67 8.013 1.607 -2.057 1.00 0.22 H new ATOM 0 HB2 TYR A 67 6.206 -0.336 -0.563 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.496 1.038 -1.386 1.00 0.22 H new ATOM 0 HD1 TYR A 67 6.580 1.292 -3.933 1.00 1.16 H new ATOM 0 HD2 TYR A 67 5.983 -2.323 -1.755 1.00 1.15 H new ATOM 0 HE1 TYR A 67 6.516 0.037 -6.042 1.00 1.13 H new ATOM 0 HE2 TYR A 67 5.911 -3.586 -3.862 1.00 1.19 H new ATOM 0 HH TYR A 67 6.018 -3.505 -6.072 1.00 0.32 H new ATOM 1086 N CYS A 68 6.896 3.450 -0.717 1.00 0.17 N ATOM 1087 CA CYS A 68 6.431 4.597 0.061 1.00 0.17 C ATOM 1088 C CYS A 68 5.512 5.459 -0.794 1.00 0.20 C ATOM 1089 O CYS A 68 5.527 5.379 -2.026 1.00 0.27 O ATOM 1090 CB CYS A 68 7.603 5.430 0.609 1.00 0.16 C ATOM 1091 SG CYS A 68 8.883 5.834 -0.603 1.00 1.61 S ATOM 0 H CYS A 68 6.894 3.608 -1.725 1.00 0.17 H new ATOM 0 HA CYS A 68 5.876 4.221 0.920 1.00 0.17 H new ATOM 0 HB2 CYS A 68 7.208 6.358 1.022 1.00 0.16 H new ATOM 0 HB3 CYS A 68 8.063 4.885 1.433 1.00 0.16 H new ATOM 0 HG CYS A 68 8.740 5.081 -1.653 1.00 1.61 H new ATOM 1097 N LEU A 69 4.671 6.242 -0.132 1.00 0.21 N ATOM 1098 CA LEU A 69 3.691 7.082 -0.821 1.00 0.25 C ATOM 1099 C LEU A 69 4.169 8.534 -0.938 1.00 0.30 C ATOM 1100 O LEU A 69 4.425 9.176 0.083 1.00 0.41 O ATOM 1101 CB LEU A 69 2.347 7.040 -0.079 1.00 0.36 C ATOM 1102 CG LEU A 69 1.120 7.167 -0.980 1.00 0.48 C ATOM 1103 CD1 LEU A 69 0.955 5.914 -1.835 1.00 0.61 C ATOM 1104 CD2 LEU A 69 -0.120 7.423 -0.134 1.00 0.94 C ATOM 0 H LEU A 69 4.645 6.316 0.885 1.00 0.21 H new ATOM 0 HA LEU A 69 3.569 6.685 -1.829 1.00 0.25 H new ATOM 0 HB2 LEU A 69 2.281 6.103 0.473 1.00 0.36 H new ATOM 0 HB3 LEU A 69 2.327 7.845 0.656 1.00 0.36 H new ATOM 0 HG LEU A 69 1.257 8.014 -1.653 1.00 0.48 H new ATOM 0 HD11 LEU A 69 0.076 6.021 -2.471 1.00 0.61 H new ATOM 0 HD12 LEU A 69 1.839 5.779 -2.458 1.00 0.61 H new ATOM 0 HD13 LEU A 69 0.831 5.046 -1.188 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.991 7.513 -0.783 1.00 0.94 H new ATOM 0 HD22 LEU A 69 -0.266 6.593 0.557 1.00 0.94 H new ATOM 0 HD23 LEU A 69 0.009 8.347 0.430 1.00 0.94 H new ATOM 1116 N PRO A 70 4.220 9.103 -2.176 1.00 0.37 N ATOM 1117 CA PRO A 70 4.567 10.523 -2.388 1.00 0.51 C ATOM 1118 C PRO A 70 3.498 11.460 -1.807 1.00 0.71 C ATOM 1119 O PRO A 70 2.716 11.075 -0.931 1.00 1.00 O ATOM 1120 CB PRO A 70 4.619 10.661 -3.928 1.00 0.70 C ATOM 1121 CG PRO A 70 4.684 9.265 -4.440 1.00 0.64 C ATOM 1122 CD PRO A 70 3.907 8.439 -3.458 1.00 0.41 C ATOM 0 HA PRO A 70 5.500 10.796 -1.895 1.00 0.51 H new ATOM 0 HB2 PRO A 70 3.738 11.179 -4.307 1.00 0.70 H new ATOM 0 HB3 PRO A 70 5.489 11.237 -4.243 1.00 0.70 H new ATOM 0 HG2 PRO A 70 4.254 9.193 -5.439 1.00 0.64 H new ATOM 0 HG3 PRO A 70 5.716 8.921 -4.512 1.00 0.64 H new ATOM 0 HD2 PRO A 70 2.838 8.450 -3.672 1.00 0.41 H new ATOM 0 HD3 PRO A 70 4.222 7.396 -3.464 1.00 0.41 H new ATOM 1130 N ALA A 71 3.422 12.669 -2.348 1.00 0.96 N ATOM 1131 CA ALA A 71 2.373 13.620 -1.961 1.00 1.23 C ATOM 1132 C ALA A 71 1.011 13.070 -2.399 1.00 1.34 C ATOM 1133 O ALA A 71 0.748 12.987 -3.600 1.00 1.89 O ATOM 1134 CB ALA A 71 2.636 14.989 -2.584 1.00 1.66 C ATOM 0 H ALA A 71 4.069 13.019 -3.054 1.00 0.96 H new ATOM 0 HA ALA A 71 2.375 13.745 -0.878 1.00 1.23 H new ATOM 0 HB1 ALA A 71 1.849 15.681 -2.287 1.00 1.66 H new ATOM 0 HB2 ALA A 71 3.599 15.366 -2.241 1.00 1.66 H new ATOM 0 HB3 ALA A 71 2.648 14.898 -3.670 1.00 1.66 H new ATOM 1140 N GLU A 72 0.201 12.621 -1.418 1.00 1.48 N ATOM 1141 CA GLU A 72 -1.105 11.951 -1.642 1.00 1.76 C ATOM 1142 C GLU A 72 -1.793 12.334 -2.963 1.00 1.89 C ATOM 1143 O GLU A 72 -2.452 13.370 -3.057 1.00 2.17 O ATOM 1144 CB GLU A 72 -2.055 12.226 -0.462 1.00 2.19 C ATOM 1145 CG GLU A 72 -1.923 11.217 0.681 1.00 2.59 C ATOM 1146 CD GLU A 72 -0.789 11.523 1.639 1.00 3.17 C ATOM 1147 OE1 GLU A 72 -0.060 12.510 1.414 1.00 3.59 O ATOM 1148 OE2 GLU A 72 -0.640 10.788 2.632 1.00 3.75 O ATOM 0 H GLU A 72 0.437 12.714 -0.430 1.00 1.48 H new ATOM 0 HA GLU A 72 -0.881 10.887 -1.713 1.00 1.76 H new ATOM 0 HB2 GLU A 72 -1.861 13.227 -0.076 1.00 2.19 H new ATOM 0 HB3 GLU A 72 -3.083 12.218 -0.825 1.00 2.19 H new ATOM 0 HG2 GLU A 72 -2.859 11.189 1.238 1.00 2.59 H new ATOM 0 HG3 GLU A 72 -1.772 10.223 0.260 1.00 2.59 H new ATOM 1155 N LEU A 73 -1.649 11.456 -3.959 1.00 2.03 N ATOM 1156 CA LEU A 73 -2.224 11.656 -5.291 1.00 2.45 C ATOM 1157 C LEU A 73 -3.690 11.204 -5.329 1.00 3.07 C ATOM 1158 O LEU A 73 -3.994 10.087 -5.757 1.00 3.39 O ATOM 1159 CB LEU A 73 -1.391 10.877 -6.332 1.00 2.45 C ATOM 1160 CG LEU A 73 -0.112 11.581 -6.804 1.00 2.84 C ATOM 1161 CD1 LEU A 73 1.023 10.579 -6.978 1.00 3.20 C ATOM 1162 CD2 LEU A 73 -0.365 12.335 -8.101 1.00 3.46 C ATOM 0 H LEU A 73 -1.129 10.584 -3.864 1.00 2.03 H new ATOM 0 HA LEU A 73 -2.198 12.719 -5.530 1.00 2.45 H new ATOM 0 HB2 LEU A 73 -1.119 9.911 -5.907 1.00 2.45 H new ATOM 0 HB3 LEU A 73 -2.019 10.678 -7.201 1.00 2.45 H new ATOM 0 HG LEU A 73 0.184 12.300 -6.040 1.00 2.84 H new ATOM 0 HD11 LEU A 73 1.920 11.100 -7.313 1.00 3.20 H new ATOM 0 HD12 LEU A 73 1.223 10.087 -6.026 1.00 3.20 H new ATOM 0 HD13 LEU A 73 0.739 9.832 -7.719 1.00 3.20 H new ATOM 0 HD21 LEU A 73 0.553 12.828 -8.420 1.00 3.46 H new ATOM 0 HD22 LEU A 73 -0.688 11.635 -8.872 1.00 3.46 H new ATOM 0 HD23 LEU A 73 -1.142 13.083 -7.941 1.00 3.46 H new ATOM 1174 N GLY A 74 -4.588 12.068 -4.854 1.00 3.54 N ATOM 1175 CA GLY A 74 -6.008 11.751 -4.832 1.00 4.27 C ATOM 1176 C GLY A 74 -6.787 12.683 -3.919 1.00 4.79 C ATOM 1177 O GLY A 74 -6.774 13.901 -4.111 1.00 5.47 O ATOM 0 H GLY A 74 -4.354 12.988 -4.482 1.00 3.54 H new ATOM 0 HA2 GLY A 74 -6.409 11.816 -5.843 1.00 4.27 H new ATOM 0 HA3 GLY A 74 -6.144 10.722 -4.500 1.00 4.27 H new ATOM 1181 N VAL A 75 -7.463 12.115 -2.922 1.00 4.77 N ATOM 1182 CA VAL A 75 -8.259 12.894 -1.975 1.00 5.51 C ATOM 1183 C VAL A 75 -8.284 12.203 -0.602 1.00 5.62 C ATOM 1184 O VAL A 75 -9.147 11.367 -0.322 1.00 5.34 O ATOM 1185 CB VAL A 75 -9.698 13.133 -2.509 1.00 5.98 C ATOM 1186 CG1 VAL A 75 -10.379 11.829 -2.924 1.00 6.16 C ATOM 1187 CG2 VAL A 75 -10.548 13.878 -1.489 1.00 6.50 C ATOM 0 H VAL A 75 -7.475 11.110 -2.748 1.00 4.77 H new ATOM 0 HA VAL A 75 -7.790 13.871 -1.859 1.00 5.51 H new ATOM 0 HB VAL A 75 -9.605 13.754 -3.400 1.00 5.98 H new ATOM 0 HG11 VAL A 75 -11.383 12.043 -3.291 1.00 6.16 H new ATOM 0 HG12 VAL A 75 -9.799 11.351 -3.713 1.00 6.16 H new ATOM 0 HG13 VAL A 75 -10.442 11.162 -2.064 1.00 6.16 H new ATOM 0 HG21 VAL A 75 -11.549 14.030 -1.892 1.00 6.50 H new ATOM 0 HG22 VAL A 75 -10.611 13.293 -0.571 1.00 6.50 H new ATOM 0 HG23 VAL A 75 -10.093 14.845 -1.273 1.00 6.50 H new ATOM 1197 N PRO A 76 -7.297 12.525 0.263 1.00 6.42 N ATOM 1198 CA PRO A 76 -7.172 11.944 1.604 1.00 6.97 C ATOM 1199 C PRO A 76 -7.966 12.727 2.657 1.00 7.29 C ATOM 1200 O PRO A 76 -7.392 13.415 3.506 1.00 7.83 O ATOM 1201 CB PRO A 76 -5.662 12.043 1.852 1.00 7.90 C ATOM 1202 CG PRO A 76 -5.241 13.290 1.133 1.00 8.03 C ATOM 1203 CD PRO A 76 -6.222 13.502 -0.002 1.00 7.16 C ATOM 0 HA PRO A 76 -7.570 10.932 1.673 1.00 6.97 H new ATOM 0 HB2 PRO A 76 -5.439 12.105 2.917 1.00 7.90 H new ATOM 0 HB3 PRO A 76 -5.139 11.168 1.467 1.00 7.90 H new ATOM 0 HG2 PRO A 76 -5.244 14.145 1.810 1.00 8.03 H new ATOM 0 HG3 PRO A 76 -4.225 13.190 0.751 1.00 8.03 H new ATOM 0 HD2 PRO A 76 -6.605 14.523 -0.013 1.00 7.16 H new ATOM 0 HD3 PRO A 76 -5.754 13.327 -0.971 1.00 7.16 H new ATOM 1211 N THR A 77 -9.288 12.645 2.574 1.00 7.25 N ATOM 1212 CA THR A 77 -10.174 13.337 3.511 1.00 7.86 C ATOM 1213 C THR A 77 -11.539 12.632 3.565 1.00 8.48 C ATOM 1214 O THR A 77 -11.670 11.482 3.128 1.00 8.73 O ATOM 1215 CB THR A 77 -10.309 14.836 3.115 1.00 7.90 C ATOM 1216 OG1 THR A 77 -10.826 15.606 4.194 1.00 8.72 O ATOM 1217 CG2 THR A 77 -11.183 15.103 1.893 1.00 7.87 C ATOM 0 H THR A 77 -9.777 12.102 1.862 1.00 7.25 H new ATOM 0 HA THR A 77 -9.744 13.300 4.512 1.00 7.86 H new ATOM 0 HB THR A 77 -9.291 15.132 2.861 1.00 7.90 H new ATOM 0 HG1 THR A 77 -10.900 16.544 3.921 1.00 8.72 H new ATOM 0 HG21 THR A 77 -11.216 16.175 1.696 1.00 7.87 H new ATOM 0 HG22 THR A 77 -10.766 14.588 1.028 1.00 7.87 H new ATOM 0 HG23 THR A 77 -12.193 14.738 2.081 1.00 7.87 H new ATOM 1225 N THR A 78 -12.539 13.320 4.114 1.00 9.01 N ATOM 1226 CA THR A 78 -13.890 12.774 4.261 1.00 9.88 C ATOM 1227 C THR A 78 -14.935 13.770 3.730 1.00 10.40 C ATOM 1228 O THR A 78 -14.895 14.084 2.523 1.00 10.57 O ATOM 1229 CB THR A 78 -14.147 12.435 5.744 1.00 10.27 C ATOM 1230 OG1 THR A 78 -13.873 13.558 6.576 1.00 10.30 O ATOM 1231 CG2 THR A 78 -13.303 11.283 6.253 1.00 10.39 C ATOM 1232 OXT THR A 78 -15.767 14.249 4.525 1.00 10.83 O ATOM 0 H THR A 78 -12.437 14.271 4.469 1.00 9.01 H new ATOM 0 HA THR A 78 -13.977 11.861 3.673 1.00 9.88 H new ATOM 0 HB THR A 78 -15.198 12.150 5.791 1.00 10.27 H new ATOM 0 HG1 THR A 78 -14.439 14.311 6.306 1.00 10.30 H new ATOM 0 HG21 THR A 78 -13.534 11.098 7.302 1.00 10.39 H new ATOM 0 HG22 THR A 78 -13.520 10.388 5.670 1.00 10.39 H new ATOM 0 HG23 THR A 78 -12.247 11.534 6.153 1.00 10.39 H new TER 1240 THR A 78