USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=20 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 42 ASN : amide:sc= 0.366 K(o=0.5,f=-5.3!) USER MOD Set 1.2: A 44 SER OG : rot 85:sc= 0.139 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= 1.3 (180deg=-0.0768) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -70:sc= 0.00192 USER MOD Single : A 6 LYS NZ :NH3+ 146:sc= -0.228 (180deg=-1.28!) USER MOD Single : A 7 GLN : amide:sc= -0.0415 X(o=-0.042,f=-0.46) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= -0.481 (180deg=-1.16!) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0418) USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00688) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.551 K(o=0.55,f=-4.4!) USER MOD Single : A 34 GLN : amide:sc= 0.237 K(o=0.24,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 40 ASN : amide:sc= -0.0324 K(o=-0.032,f=-1.7!) USER MOD Single : A 43 GLN : amide:sc= -0.0365 X(o=-0.037,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -78:sc= 0.383 USER MOD Single : A 49 MET CE :methyl 179:sc= -0.031 (180deg=-0.044) USER MOD Single : A 51 THR OG1 : rot 77:sc= 0.911 USER MOD Single : A 52 LYS NZ :NH3+ 156:sc= -0.141 (180deg=-0.72) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.26 K(o=0.26,f=-8.5!) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0796) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) 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 180:sc= -0.0695 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.666 3.068 -4.328 1.00 10.84 N ATOM 2 CA MET A 1 -25.569 3.986 -3.940 1.00 10.16 C ATOM 3 C MET A 1 -24.828 3.454 -2.709 1.00 9.27 C ATOM 4 O MET A 1 -25.424 2.796 -1.853 1.00 9.22 O ATOM 5 CB MET A 1 -26.153 5.380 -3.649 1.00 10.59 C ATOM 6 CG MET A 1 -26.928 5.992 -4.813 1.00 11.48 C ATOM 7 SD MET A 1 -28.642 5.432 -4.891 1.00 11.94 S ATOM 8 CE MET A 1 -29.090 5.904 -6.559 1.00 12.56 C ATOM 0 H1 MET A 1 -27.514 3.621 -4.566 1.00 10.84 H new ATOM 0 H2 MET A 1 -26.374 2.508 -5.155 1.00 10.84 H new ATOM 0 H3 MET A 1 -26.881 2.429 -3.536 1.00 10.84 H new ATOM 0 HA MET A 1 -24.855 4.054 -4.761 1.00 10.16 H new ATOM 0 HB2 MET A 1 -26.813 5.311 -2.784 1.00 10.59 H new ATOM 0 HB3 MET A 1 -25.339 6.052 -3.376 1.00 10.59 H new ATOM 0 HG2 MET A 1 -26.910 7.078 -4.723 1.00 11.48 H new ATOM 0 HG3 MET A 1 -26.427 5.741 -5.748 1.00 11.48 H new ATOM 0 HE1 MET A 1 -30.125 5.621 -6.752 1.00 12.56 H new ATOM 0 HE2 MET A 1 -28.982 6.983 -6.673 1.00 12.56 H new ATOM 0 HE3 MET A 1 -28.437 5.397 -7.269 1.00 12.56 H new ATOM 20 N ARG A 2 -23.529 3.744 -2.622 1.00 8.82 N ATOM 21 CA ARG A 2 -22.706 3.300 -1.491 1.00 8.17 C ATOM 22 C ARG A 2 -21.418 4.128 -1.390 1.00 7.58 C ATOM 23 O ARG A 2 -20.338 3.664 -1.766 1.00 7.72 O ATOM 24 CB ARG A 2 -22.380 1.795 -1.614 1.00 8.58 C ATOM 25 CG ARG A 2 -21.968 1.354 -3.021 1.00 9.29 C ATOM 26 CD ARG A 2 -20.827 0.344 -2.992 1.00 9.46 C ATOM 27 NE ARG A 2 -19.593 0.928 -2.455 1.00 9.75 N ATOM 28 CZ ARG A 2 -18.411 0.303 -2.447 1.00 10.18 C ATOM 29 NH1 ARG A 2 -18.290 -0.913 -2.955 1.00 10.36 N ATOM 30 NH2 ARG A 2 -17.346 0.899 -1.938 1.00 10.67 N ATOM 0 H ARG A 2 -23.021 4.285 -3.322 1.00 8.82 H new ATOM 0 HA ARG A 2 -23.277 3.454 -0.576 1.00 8.17 H new ATOM 0 HB2 ARG A 2 -21.576 1.551 -0.919 1.00 8.58 H new ATOM 0 HB3 ARG A 2 -23.253 1.219 -1.306 1.00 8.58 H new ATOM 0 HG2 ARG A 2 -22.827 0.916 -3.530 1.00 9.29 H new ATOM 0 HG3 ARG A 2 -21.665 2.226 -3.600 1.00 9.29 H new ATOM 0 HD2 ARG A 2 -21.117 -0.514 -2.385 1.00 9.46 H new ATOM 0 HD3 ARG A 2 -20.644 -0.026 -4.001 1.00 9.46 H new ATOM 0 HE ARG A 2 -19.640 1.869 -2.064 1.00 9.75 H new ATOM 0 HH11 ARG A 2 -19.102 -1.381 -3.357 1.00 10.36 H new ATOM 0 HH12 ARG A 2 -17.384 -1.382 -2.945 1.00 10.36 H new ATOM 0 HH21 ARG A 2 -17.424 1.839 -1.550 1.00 10.67 H new ATOM 0 HH22 ARG A 2 -16.446 0.419 -1.934 1.00 10.67 H new ATOM 44 N SER A 3 -21.536 5.348 -0.856 1.00 7.20 N ATOM 45 CA SER A 3 -20.385 6.246 -0.681 1.00 6.89 C ATOM 46 C SER A 3 -19.473 5.764 0.452 1.00 5.94 C ATOM 47 O SER A 3 -18.267 5.600 0.263 1.00 6.02 O ATOM 48 CB SER A 3 -20.865 7.679 -0.397 1.00 7.63 C ATOM 49 OG SER A 3 -21.716 8.152 -1.432 1.00 8.43 O ATOM 0 H SER A 3 -22.421 5.740 -0.535 1.00 7.20 H new ATOM 0 HA SER A 3 -19.810 6.238 -1.607 1.00 6.89 H new ATOM 0 HB2 SER A 3 -21.396 7.705 0.554 1.00 7.63 H new ATOM 0 HB3 SER A 3 -20.004 8.341 -0.300 1.00 7.63 H new ATOM 0 HG SER A 3 -22.007 9.064 -1.225 1.00 8.43 H new ATOM 55 N SER A 4 -20.063 5.530 1.625 1.00 5.38 N ATOM 56 CA SER A 4 -19.324 5.048 2.796 1.00 4.74 C ATOM 57 C SER A 4 -20.077 3.886 3.446 1.00 4.08 C ATOM 58 O SER A 4 -21.157 4.086 4.007 1.00 4.43 O ATOM 59 CB SER A 4 -19.131 6.183 3.818 1.00 5.40 C ATOM 60 OG SER A 4 -18.526 7.329 3.227 1.00 6.32 O ATOM 0 H SER A 4 -21.060 5.668 1.791 1.00 5.38 H new ATOM 0 HA SER A 4 -18.343 4.703 2.469 1.00 4.74 H new ATOM 0 HB2 SER A 4 -20.097 6.459 4.241 1.00 5.40 H new ATOM 0 HB3 SER A 4 -18.511 5.829 4.642 1.00 5.40 H new ATOM 0 HG SER A 4 -17.590 7.131 3.013 1.00 6.32 H new ATOM 66 N ALA A 5 -19.531 2.670 3.334 1.00 3.63 N ATOM 67 CA ALA A 5 -20.171 1.484 3.916 1.00 3.45 C ATOM 68 C ALA A 5 -19.294 0.230 3.812 1.00 2.57 C ATOM 69 O ALA A 5 -18.986 -0.398 4.826 1.00 2.77 O ATOM 70 CB ALA A 5 -21.530 1.225 3.257 1.00 4.25 C ATOM 0 H ALA A 5 -18.654 2.481 2.849 1.00 3.63 H new ATOM 0 HA ALA A 5 -20.314 1.696 4.976 1.00 3.45 H new ATOM 0 HB1 ALA A 5 -21.988 0.342 3.702 1.00 4.25 H new ATOM 0 HB2 ALA A 5 -22.179 2.087 3.411 1.00 4.25 H new ATOM 0 HB3 ALA A 5 -21.391 1.062 2.188 1.00 4.25 H new ATOM 76 N LYS A 6 -18.964 -0.178 2.581 1.00 2.17 N ATOM 77 CA LYS A 6 -18.229 -1.431 2.350 1.00 1.92 C ATOM 78 C LYS A 6 -16.844 -1.217 1.736 1.00 1.64 C ATOM 79 O LYS A 6 -16.702 -0.659 0.646 1.00 2.32 O ATOM 80 CB LYS A 6 -19.061 -2.365 1.460 1.00 2.86 C ATOM 81 CG LYS A 6 -20.394 -2.757 2.086 1.00 3.45 C ATOM 82 CD LYS A 6 -21.092 -3.875 1.308 1.00 4.36 C ATOM 83 CE LYS A 6 -21.254 -5.150 2.134 1.00 5.20 C ATOM 84 NZ LYS A 6 -21.788 -4.883 3.498 1.00 5.61 N ATOM 0 H LYS A 6 -19.192 0.338 1.731 1.00 2.17 H new ATOM 0 HA LYS A 6 -18.067 -1.886 3.327 1.00 1.92 H new ATOM 0 HB2 LYS A 6 -19.245 -1.876 0.503 1.00 2.86 H new ATOM 0 HB3 LYS A 6 -18.485 -3.267 1.252 1.00 2.86 H new ATOM 0 HG2 LYS A 6 -20.230 -3.080 3.114 1.00 3.45 H new ATOM 0 HG3 LYS A 6 -21.045 -1.884 2.127 1.00 3.45 H new ATOM 0 HD2 LYS A 6 -22.073 -3.529 0.983 1.00 4.36 H new ATOM 0 HD3 LYS A 6 -20.519 -4.099 0.408 1.00 4.36 H new ATOM 0 HE2 LYS A 6 -21.924 -5.834 1.613 1.00 5.20 H new ATOM 0 HE3 LYS A 6 -20.289 -5.650 2.217 1.00 5.20 H new ATOM 0 HZ1 LYS A 6 -22.396 -5.673 3.794 1.00 5.61 H new ATOM 0 HZ2 LYS A 6 -20.998 -4.785 4.167 1.00 5.61 H new ATOM 0 HZ3 LYS A 6 -22.344 -4.004 3.487 1.00 5.61 H new ATOM 98 N GLN A 7 -15.841 -1.719 2.462 1.00 1.12 N ATOM 99 CA GLN A 7 -14.428 -1.728 2.061 1.00 0.87 C ATOM 100 C GLN A 7 -13.868 -0.374 1.605 1.00 0.74 C ATOM 101 O GLN A 7 -12.801 -0.328 0.984 1.00 0.75 O ATOM 102 CB GLN A 7 -14.177 -2.818 1.009 1.00 1.05 C ATOM 103 CG GLN A 7 -13.574 -4.077 1.619 1.00 1.31 C ATOM 104 CD GLN A 7 -12.840 -4.946 0.615 1.00 1.15 C ATOM 105 OE1 GLN A 7 -13.024 -4.812 -0.594 1.00 1.76 O ATOM 106 NE2 GLN A 7 -11.993 -5.837 1.111 1.00 1.09 N ATOM 0 H GLN A 7 -15.994 -2.145 3.376 1.00 1.12 H new ATOM 0 HA GLN A 7 -13.872 -1.957 2.970 1.00 0.87 H new ATOM 0 HB2 GLN A 7 -15.117 -3.069 0.517 1.00 1.05 H new ATOM 0 HB3 GLN A 7 -13.507 -2.432 0.240 1.00 1.05 H new ATOM 0 HG2 GLN A 7 -12.884 -3.792 2.413 1.00 1.31 H new ATOM 0 HG3 GLN A 7 -14.368 -4.663 2.082 1.00 1.31 H new ATOM 0 HE21 GLN A 7 -11.869 -5.916 2.120 1.00 1.09 H new ATOM 0 HE22 GLN A 7 -11.465 -6.443 0.483 1.00 1.09 H new ATOM 115 N GLU A 8 -14.481 0.724 2.043 1.00 0.74 N ATOM 116 CA GLU A 8 -13.940 2.063 1.790 1.00 0.76 C ATOM 117 C GLU A 8 -12.836 2.369 2.818 1.00 0.68 C ATOM 118 O GLU A 8 -12.693 3.498 3.282 1.00 0.98 O ATOM 119 CB GLU A 8 -15.059 3.112 1.862 1.00 0.92 C ATOM 120 CG GLU A 8 -15.974 2.967 3.083 1.00 1.50 C ATOM 121 CD GLU A 8 -16.030 4.215 3.939 1.00 1.93 C ATOM 122 OE1 GLU A 8 -16.095 5.324 3.373 1.00 2.24 O ATOM 123 OE2 GLU A 8 -16.019 4.088 5.177 1.00 2.61 O ATOM 0 H GLU A 8 -15.352 0.716 2.574 1.00 0.74 H new ATOM 0 HA GLU A 8 -13.511 2.098 0.789 1.00 0.76 H new ATOM 0 HB2 GLU A 8 -14.611 4.106 1.873 1.00 0.92 H new ATOM 0 HB3 GLU A 8 -15.664 3.045 0.958 1.00 0.92 H new ATOM 0 HG2 GLU A 8 -16.981 2.719 2.747 1.00 1.50 H new ATOM 0 HG3 GLU A 8 -15.627 2.132 3.692 1.00 1.50 H new ATOM 130 N GLU A 9 -12.099 1.321 3.199 1.00 0.41 N ATOM 131 CA GLU A 9 -11.040 1.404 4.204 1.00 0.38 C ATOM 132 C GLU A 9 -9.717 0.923 3.625 1.00 0.34 C ATOM 133 O GLU A 9 -8.659 1.472 3.941 1.00 0.43 O ATOM 134 CB GLU A 9 -11.413 0.559 5.429 1.00 0.42 C ATOM 135 CG GLU A 9 -12.785 0.895 5.998 1.00 0.62 C ATOM 136 CD GLU A 9 -13.104 0.132 7.272 1.00 1.46 C ATOM 137 OE1 GLU A 9 -13.032 -1.116 7.251 1.00 2.19 O ATOM 138 OE2 GLU A 9 -13.445 0.775 8.284 1.00 2.23 O ATOM 0 H GLU A 9 -12.223 0.385 2.814 1.00 0.41 H new ATOM 0 HA GLU A 9 -10.929 2.445 4.507 1.00 0.38 H new ATOM 0 HB2 GLU A 9 -11.389 -0.496 5.155 1.00 0.42 H new ATOM 0 HB3 GLU A 9 -10.661 0.704 6.204 1.00 0.42 H new ATOM 0 HG2 GLU A 9 -12.836 1.965 6.200 1.00 0.62 H new ATOM 0 HG3 GLU A 9 -13.546 0.675 5.249 1.00 0.62 H new ATOM 145 N LEU A 10 -9.794 -0.079 2.737 1.00 0.28 N ATOM 146 CA LEU A 10 -8.609 -0.657 2.081 1.00 0.29 C ATOM 147 C LEU A 10 -7.756 0.423 1.412 1.00 0.26 C ATOM 148 O LEU A 10 -6.540 0.337 1.399 1.00 0.30 O ATOM 149 CB LEU A 10 -9.036 -1.714 1.044 1.00 0.35 C ATOM 150 CG LEU A 10 -7.977 -2.764 0.635 1.00 0.35 C ATOM 151 CD1 LEU A 10 -7.454 -2.485 -0.767 1.00 0.60 C ATOM 152 CD2 LEU A 10 -6.828 -2.861 1.633 1.00 1.01 C ATOM 0 H LEU A 10 -10.674 -0.510 2.454 1.00 0.28 H new ATOM 0 HA LEU A 10 -8.002 -1.134 2.850 1.00 0.29 H new ATOM 0 HB2 LEU A 10 -9.904 -2.244 1.438 1.00 0.35 H new ATOM 0 HB3 LEU A 10 -9.362 -1.193 0.144 1.00 0.35 H new ATOM 0 HG LEU A 10 -8.477 -3.733 0.638 1.00 0.35 H new ATOM 0 HD11 LEU A 10 -6.710 -3.236 -1.034 1.00 0.60 H new ATOM 0 HD12 LEU A 10 -8.280 -2.523 -1.478 1.00 0.60 H new ATOM 0 HD13 LEU A 10 -6.997 -1.496 -0.795 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -6.115 -3.613 1.295 1.00 1.01 H new ATOM 0 HD22 LEU A 10 -6.328 -1.895 1.708 1.00 1.01 H new ATOM 0 HD23 LEU A 10 -7.218 -3.144 2.611 1.00 1.01 H new ATOM 164 N VAL A 11 -8.409 1.470 0.920 1.00 0.26 N ATOM 165 CA VAL A 11 -7.714 2.588 0.283 1.00 0.29 C ATOM 166 C VAL A 11 -6.906 3.411 1.308 1.00 0.29 C ATOM 167 O VAL A 11 -5.752 3.764 1.048 1.00 0.37 O ATOM 168 CB VAL A 11 -8.724 3.509 -0.457 1.00 0.36 C ATOM 169 CG1 VAL A 11 -8.033 4.356 -1.517 1.00 0.43 C ATOM 170 CG2 VAL A 11 -9.851 2.694 -1.089 1.00 0.49 C ATOM 0 H VAL A 11 -9.424 1.570 0.949 1.00 0.26 H new ATOM 0 HA VAL A 11 -7.016 2.168 -0.441 1.00 0.29 H new ATOM 0 HB VAL A 11 -9.154 4.179 0.288 1.00 0.36 H new ATOM 0 HG11 VAL A 11 -8.769 4.988 -2.015 1.00 0.43 H new ATOM 0 HG12 VAL A 11 -7.276 4.983 -1.045 1.00 0.43 H new ATOM 0 HG13 VAL A 11 -7.559 3.705 -2.251 1.00 0.43 H new ATOM 0 HG21 VAL A 11 -10.542 3.364 -1.600 1.00 0.49 H new ATOM 0 HG22 VAL A 11 -9.432 1.989 -1.807 1.00 0.49 H new ATOM 0 HG23 VAL A 11 -10.384 2.146 -0.312 1.00 0.49 H new ATOM 180 N LYS A 12 -7.500 3.691 2.480 1.00 0.26 N ATOM 181 CA LYS A 12 -6.797 4.430 3.541 1.00 0.30 C ATOM 182 C LYS A 12 -5.695 3.561 4.159 1.00 0.27 C ATOM 183 O LYS A 12 -4.583 4.030 4.403 1.00 0.32 O ATOM 184 CB LYS A 12 -7.760 4.918 4.630 1.00 0.38 C ATOM 185 CG LYS A 12 -8.840 5.864 4.113 1.00 1.15 C ATOM 186 CD LYS A 12 -10.158 5.138 3.941 1.00 2.01 C ATOM 187 CE LYS A 12 -11.070 5.345 5.153 1.00 2.92 C ATOM 188 NZ LYS A 12 -11.852 6.606 5.046 1.00 3.46 N ATOM 0 H LYS A 12 -8.455 3.420 2.715 1.00 0.26 H new ATOM 0 HA LYS A 12 -6.344 5.309 3.082 1.00 0.30 H new ATOM 0 HB2 LYS A 12 -8.237 4.055 5.094 1.00 0.38 H new ATOM 0 HB3 LYS A 12 -7.188 5.424 5.408 1.00 0.38 H new ATOM 0 HG2 LYS A 12 -8.965 6.694 4.809 1.00 1.15 H new ATOM 0 HG3 LYS A 12 -8.529 6.291 3.160 1.00 1.15 H new ATOM 0 HD2 LYS A 12 -10.658 5.497 3.041 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -9.973 4.073 3.800 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -11.753 4.500 5.243 1.00 2.92 H new ATOM 0 HE3 LYS A 12 -10.468 5.366 6.062 1.00 2.92 H new ATOM 0 HZ1 LYS A 12 -12.458 6.711 5.885 1.00 3.46 H new ATOM 0 HZ2 LYS A 12 -11.201 7.414 4.986 1.00 3.46 H new ATOM 0 HZ3 LYS A 12 -12.445 6.575 4.192 1.00 3.46 H new ATOM 202 N ALA A 13 -6.009 2.276 4.354 1.00 0.25 N ATOM 203 CA ALA A 13 -5.051 1.303 4.883 1.00 0.26 C ATOM 204 C ALA A 13 -3.880 1.108 3.913 1.00 0.22 C ATOM 205 O ALA A 13 -2.724 1.126 4.328 1.00 0.22 O ATOM 206 CB ALA A 13 -5.737 -0.030 5.168 1.00 0.30 C ATOM 0 H ALA A 13 -6.929 1.884 4.151 1.00 0.25 H new ATOM 0 HA ALA A 13 -4.656 1.694 5.821 1.00 0.26 H new ATOM 0 HB1 ALA A 13 -5.007 -0.738 5.560 1.00 0.30 H new ATOM 0 HB2 ALA A 13 -6.529 0.118 5.902 1.00 0.30 H new ATOM 0 HB3 ALA A 13 -6.165 -0.423 4.246 1.00 0.30 H new ATOM 212 N PHE A 14 -4.193 0.995 2.612 1.00 0.21 N ATOM 213 CA PHE A 14 -3.173 0.822 1.563 1.00 0.19 C ATOM 214 C PHE A 14 -2.145 1.965 1.591 1.00 0.17 C ATOM 215 O PHE A 14 -0.938 1.720 1.667 1.00 0.21 O ATOM 216 CB PHE A 14 -3.819 0.717 0.161 1.00 0.19 C ATOM 217 CG PHE A 14 -2.864 0.184 -0.875 1.00 0.17 C ATOM 218 CD1 PHE A 14 -2.686 -1.183 -1.024 1.00 1.22 C ATOM 219 CD2 PHE A 14 -2.104 1.043 -1.649 1.00 1.16 C ATOM 220 CE1 PHE A 14 -1.798 -1.681 -1.947 1.00 1.21 C ATOM 221 CE2 PHE A 14 -1.207 0.544 -2.575 1.00 1.17 C ATOM 222 CZ PHE A 14 -1.056 -0.819 -2.720 1.00 0.16 C ATOM 0 H PHE A 14 -5.150 1.020 2.259 1.00 0.21 H new ATOM 0 HA PHE A 14 -2.653 -0.113 1.770 1.00 0.19 H new ATOM 0 HB2 PHE A 14 -4.692 0.067 0.214 1.00 0.19 H new ATOM 0 HB3 PHE A 14 -4.173 1.701 -0.147 1.00 0.19 H new ATOM 0 HD1 PHE A 14 -3.252 -1.865 -0.407 1.00 1.22 H new ATOM 0 HD2 PHE A 14 -2.212 2.111 -1.529 1.00 1.16 H new ATOM 0 HE1 PHE A 14 -1.683 -2.748 -2.065 1.00 1.21 H new ATOM 0 HE2 PHE A 14 -0.625 1.220 -3.184 1.00 1.17 H new ATOM 0 HZ PHE A 14 -0.354 -1.210 -3.442 1.00 0.16 H new ATOM 232 N LYS A 15 -2.634 3.214 1.587 1.00 0.17 N ATOM 233 CA LYS A 15 -1.754 4.389 1.655 1.00 0.17 C ATOM 234 C LYS A 15 -0.912 4.391 2.937 1.00 0.14 C ATOM 235 O LYS A 15 0.287 4.656 2.902 1.00 0.14 O ATOM 236 CB LYS A 15 -2.560 5.688 1.570 1.00 0.25 C ATOM 237 CG LYS A 15 -2.824 6.136 0.136 1.00 0.64 C ATOM 238 CD LYS A 15 -4.321 6.280 -0.137 1.00 0.58 C ATOM 239 CE LYS A 15 -4.712 7.540 -0.935 1.00 0.82 C ATOM 240 NZ LYS A 15 -3.729 8.656 -0.826 1.00 0.93 N ATOM 0 H LYS A 15 -3.628 3.435 1.538 1.00 0.17 H new ATOM 0 HA LYS A 15 -1.082 4.330 0.799 1.00 0.17 H new ATOM 0 HB2 LYS A 15 -3.512 5.552 2.083 1.00 0.25 H new ATOM 0 HB3 LYS A 15 -2.024 6.477 2.098 1.00 0.25 H new ATOM 0 HG2 LYS A 15 -2.326 7.088 -0.047 1.00 0.64 H new ATOM 0 HG3 LYS A 15 -2.394 5.413 -0.558 1.00 0.64 H new ATOM 0 HD2 LYS A 15 -4.663 5.400 -0.682 1.00 0.58 H new ATOM 0 HD3 LYS A 15 -4.851 6.291 0.816 1.00 0.58 H new ATOM 0 HE2 LYS A 15 -4.826 7.271 -1.985 1.00 0.82 H new ATOM 0 HE3 LYS A 15 -5.684 7.890 -0.588 1.00 0.82 H new ATOM 0 HZ1 LYS A 15 -4.203 9.558 -1.036 1.00 0.93 H new ATOM 0 HZ2 LYS A 15 -3.342 8.685 0.139 1.00 0.93 H new ATOM 0 HZ3 LYS A 15 -2.956 8.505 -1.505 1.00 0.93 H new ATOM 254 N ALA A 16 -1.569 4.102 4.066 1.00 0.15 N ATOM 255 CA ALA A 16 -0.920 4.081 5.384 1.00 0.16 C ATOM 256 C ALA A 16 0.237 3.080 5.436 1.00 0.15 C ATOM 257 O ALA A 16 1.327 3.420 5.891 1.00 0.18 O ATOM 258 CB ALA A 16 -1.941 3.775 6.478 1.00 0.20 C ATOM 0 H ALA A 16 -2.563 3.876 4.093 1.00 0.15 H new ATOM 0 HA ALA A 16 -0.502 5.073 5.557 1.00 0.16 H new ATOM 0 HB1 ALA A 16 -1.443 3.763 7.448 1.00 0.20 H new ATOM 0 HB2 ALA A 16 -2.716 4.542 6.477 1.00 0.20 H new ATOM 0 HB3 ALA A 16 -2.394 2.801 6.291 1.00 0.20 H new ATOM 264 N LEU A 17 -0.001 1.861 4.943 1.00 0.15 N ATOM 265 CA LEU A 17 1.029 0.812 4.904 1.00 0.17 C ATOM 266 C LEU A 17 2.273 1.278 4.145 1.00 0.15 C ATOM 267 O LEU A 17 3.399 1.126 4.620 1.00 0.19 O ATOM 268 CB LEU A 17 0.477 -0.458 4.236 1.00 0.21 C ATOM 269 CG LEU A 17 -0.591 -1.224 5.027 1.00 0.25 C ATOM 270 CD1 LEU A 17 -0.690 -2.653 4.526 1.00 0.27 C ATOM 271 CD2 LEU A 17 -0.299 -1.211 6.523 1.00 0.33 C ATOM 0 H LEU A 17 -0.902 1.573 4.563 1.00 0.15 H new ATOM 0 HA LEU A 17 1.310 0.593 5.934 1.00 0.17 H new ATOM 0 HB2 LEU A 17 0.056 -0.182 3.269 1.00 0.21 H new ATOM 0 HB3 LEU A 17 1.310 -1.133 4.041 1.00 0.21 H new ATOM 0 HG LEU A 17 -1.545 -0.721 4.870 1.00 0.25 H new ATOM 0 HD11 LEU A 17 -1.451 -3.186 5.095 1.00 0.27 H new ATOM 0 HD12 LEU A 17 -0.962 -2.650 3.470 1.00 0.27 H new ATOM 0 HD13 LEU A 17 0.272 -3.150 4.652 1.00 0.27 H new ATOM 0 HD21 LEU A 17 -1.077 -1.763 7.050 1.00 0.33 H new ATOM 0 HD22 LEU A 17 0.668 -1.679 6.709 1.00 0.33 H new ATOM 0 HD23 LEU A 17 -0.279 -0.182 6.881 1.00 0.33 H new ATOM 283 N LEU A 18 2.056 1.855 2.965 1.00 0.12 N ATOM 284 CA LEU A 18 3.160 2.341 2.127 1.00 0.12 C ATOM 285 C LEU A 18 3.898 3.508 2.783 1.00 0.13 C ATOM 286 O LEU A 18 5.121 3.487 2.914 1.00 0.15 O ATOM 287 CB LEU A 18 2.645 2.789 0.754 1.00 0.12 C ATOM 288 CG LEU A 18 1.897 1.723 -0.047 1.00 0.13 C ATOM 289 CD1 LEU A 18 1.048 2.385 -1.117 1.00 0.22 C ATOM 290 CD2 LEU A 18 2.868 0.730 -0.667 1.00 0.15 C ATOM 0 H LEU A 18 1.129 1.999 2.564 1.00 0.12 H new ATOM 0 HA LEU A 18 3.854 1.509 2.007 1.00 0.12 H new ATOM 0 HB2 LEU A 18 1.984 3.644 0.894 1.00 0.12 H new ATOM 0 HB3 LEU A 18 3.493 3.135 0.162 1.00 0.12 H new ATOM 0 HG LEU A 18 1.244 1.171 0.629 1.00 0.13 H new ATOM 0 HD11 LEU A 18 0.517 1.621 -1.685 1.00 0.22 H new ATOM 0 HD12 LEU A 18 0.327 3.054 -0.647 1.00 0.22 H new ATOM 0 HD13 LEU A 18 1.689 2.956 -1.789 1.00 0.22 H new ATOM 0 HD21 LEU A 18 2.312 -0.018 -1.232 1.00 0.15 H new ATOM 0 HD22 LEU A 18 3.550 1.256 -1.335 1.00 0.15 H new ATOM 0 HD23 LEU A 18 3.439 0.239 0.121 1.00 0.15 H new ATOM 302 N LYS A 19 3.140 4.532 3.183 1.00 0.17 N ATOM 303 CA LYS A 19 3.709 5.745 3.787 1.00 0.21 C ATOM 304 C LYS A 19 4.458 5.460 5.104 1.00 0.24 C ATOM 305 O LYS A 19 5.323 6.240 5.506 1.00 0.32 O ATOM 306 CB LYS A 19 2.607 6.785 4.008 1.00 0.23 C ATOM 307 CG LYS A 19 1.941 7.240 2.707 1.00 0.25 C ATOM 308 CD LYS A 19 0.648 8.008 2.969 1.00 0.38 C ATOM 309 CE LYS A 19 0.838 9.518 2.857 1.00 0.80 C ATOM 310 NZ LYS A 19 1.882 10.018 3.786 1.00 1.39 N ATOM 0 H LYS A 19 2.124 4.547 3.100 1.00 0.17 H new ATOM 0 HA LYS A 19 4.447 6.139 3.088 1.00 0.21 H new ATOM 0 HB2 LYS A 19 1.849 6.367 4.670 1.00 0.23 H new ATOM 0 HB3 LYS A 19 3.030 7.652 4.515 1.00 0.23 H new ATOM 0 HG2 LYS A 19 2.631 7.871 2.147 1.00 0.25 H new ATOM 0 HG3 LYS A 19 1.728 6.371 2.085 1.00 0.25 H new ATOM 0 HD2 LYS A 19 -0.113 7.686 2.258 1.00 0.38 H new ATOM 0 HD3 LYS A 19 0.278 7.763 3.965 1.00 0.38 H new ATOM 0 HE2 LYS A 19 1.111 9.774 1.833 1.00 0.80 H new ATOM 0 HE3 LYS A 19 -0.106 10.019 3.070 1.00 0.80 H new ATOM 0 HZ1 LYS A 19 1.874 11.058 3.790 1.00 1.39 H new ATOM 0 HZ2 LYS A 19 1.690 9.667 4.746 1.00 1.39 H new ATOM 0 HZ3 LYS A 19 2.815 9.680 3.474 1.00 1.39 H new ATOM 324 N GLU A 20 4.147 4.327 5.755 1.00 0.26 N ATOM 325 CA GLU A 20 4.847 3.907 6.979 1.00 0.30 C ATOM 326 C GLU A 20 6.271 3.412 6.664 1.00 0.27 C ATOM 327 O GLU A 20 7.133 3.394 7.545 1.00 0.30 O ATOM 328 CB GLU A 20 4.059 2.798 7.695 1.00 0.39 C ATOM 329 CG GLU A 20 2.776 3.289 8.362 1.00 0.48 C ATOM 330 CD GLU A 20 2.941 3.569 9.837 1.00 1.05 C ATOM 331 OE1 GLU A 20 3.282 2.636 10.587 1.00 1.76 O ATOM 332 OE2 GLU A 20 2.748 4.729 10.245 1.00 1.75 O ATOM 0 H GLU A 20 3.414 3.685 5.453 1.00 0.26 H new ATOM 0 HA GLU A 20 4.920 4.776 7.634 1.00 0.30 H new ATOM 0 HB2 GLU A 20 3.808 2.019 6.974 1.00 0.39 H new ATOM 0 HB3 GLU A 20 4.698 2.340 8.450 1.00 0.39 H new ATOM 0 HG2 GLU A 20 2.439 4.197 7.862 1.00 0.48 H new ATOM 0 HG3 GLU A 20 1.995 2.541 8.226 1.00 0.48 H new ATOM 339 N GLU A 21 6.483 2.991 5.406 1.00 0.24 N ATOM 340 CA GLU A 21 7.786 2.520 4.916 1.00 0.26 C ATOM 341 C GLU A 21 8.241 1.231 5.620 1.00 0.28 C ATOM 342 O GLU A 21 9.285 1.211 6.272 1.00 0.42 O ATOM 343 CB GLU A 21 8.856 3.621 5.063 1.00 0.28 C ATOM 344 CG GLU A 21 8.471 4.966 4.441 1.00 0.33 C ATOM 345 CD GLU A 21 9.224 6.133 5.049 1.00 0.44 C ATOM 346 OE1 GLU A 21 8.981 6.447 6.233 1.00 1.17 O ATOM 347 OE2 GLU A 21 10.080 6.715 4.359 1.00 1.19 O ATOM 0 H GLU A 21 5.750 2.968 4.697 1.00 0.24 H new ATOM 0 HA GLU A 21 7.663 2.286 3.858 1.00 0.26 H new ATOM 0 HB2 GLU A 21 9.062 3.771 6.123 1.00 0.28 H new ATOM 0 HB3 GLU A 21 9.782 3.274 4.604 1.00 0.28 H new ATOM 0 HG2 GLU A 21 8.665 4.934 3.369 1.00 0.33 H new ATOM 0 HG3 GLU A 21 7.400 5.126 4.567 1.00 0.33 H new ATOM 354 N LYS A 22 7.439 0.166 5.501 1.00 0.24 N ATOM 355 CA LYS A 22 7.763 -1.131 6.119 1.00 0.27 C ATOM 356 C LYS A 22 7.404 -2.316 5.208 1.00 0.33 C ATOM 357 O LYS A 22 7.186 -3.425 5.691 1.00 0.74 O ATOM 358 CB LYS A 22 7.059 -1.264 7.484 1.00 0.37 C ATOM 359 CG LYS A 22 5.540 -1.184 7.427 1.00 0.95 C ATOM 360 CD LYS A 22 4.936 -0.936 8.806 1.00 1.24 C ATOM 361 CE LYS A 22 4.248 -2.181 9.362 1.00 1.69 C ATOM 362 NZ LYS A 22 5.188 -3.323 9.540 1.00 2.44 N ATOM 0 H LYS A 22 6.560 0.174 4.983 1.00 0.24 H new ATOM 0 HA LYS A 22 8.842 -1.159 6.269 1.00 0.27 H new ATOM 0 HB2 LYS A 22 7.342 -2.216 7.932 1.00 0.37 H new ATOM 0 HB3 LYS A 22 7.426 -0.479 8.145 1.00 0.37 H new ATOM 0 HG2 LYS A 22 5.243 -0.383 6.750 1.00 0.95 H new ATOM 0 HG3 LYS A 22 5.142 -2.112 7.017 1.00 0.95 H new ATOM 0 HD2 LYS A 22 5.720 -0.618 9.493 1.00 1.24 H new ATOM 0 HD3 LYS A 22 4.215 -0.120 8.745 1.00 1.24 H new ATOM 0 HE2 LYS A 22 3.789 -1.940 10.321 1.00 1.69 H new ATOM 0 HE3 LYS A 22 3.444 -2.478 8.689 1.00 1.69 H new ATOM 0 HZ1 LYS A 22 4.682 -4.126 9.967 1.00 2.44 H new ATOM 0 HZ2 LYS A 22 5.569 -3.606 8.615 1.00 2.44 H new ATOM 0 HZ3 LYS A 22 5.969 -3.036 10.163 1.00 2.44 H new ATOM 376 N PHE A 23 7.349 -2.082 3.892 1.00 0.25 N ATOM 377 CA PHE A 23 7.051 -3.143 2.921 1.00 0.25 C ATOM 378 C PHE A 23 7.926 -2.981 1.694 1.00 0.23 C ATOM 379 O PHE A 23 7.838 -1.980 0.984 1.00 0.30 O ATOM 380 CB PHE A 23 5.578 -3.133 2.512 1.00 0.36 C ATOM 381 CG PHE A 23 4.638 -3.183 3.688 1.00 0.34 C ATOM 382 CD1 PHE A 23 4.350 -4.387 4.302 1.00 1.22 C ATOM 383 CD2 PHE A 23 4.105 -2.022 4.223 1.00 1.25 C ATOM 384 CE1 PHE A 23 3.517 -4.443 5.402 1.00 1.21 C ATOM 385 CE2 PHE A 23 3.271 -2.071 5.325 1.00 1.27 C ATOM 386 CZ PHE A 23 2.976 -3.283 5.915 1.00 0.35 C ATOM 0 H PHE A 23 7.507 -1.165 3.473 1.00 0.25 H new ATOM 0 HA PHE A 23 7.261 -4.101 3.398 1.00 0.25 H new ATOM 0 HB2 PHE A 23 5.375 -2.234 1.930 1.00 0.36 H new ATOM 0 HB3 PHE A 23 5.382 -3.985 1.861 1.00 0.36 H new ATOM 0 HD1 PHE A 23 4.783 -5.298 3.916 1.00 1.22 H new ATOM 0 HD2 PHE A 23 4.343 -1.069 3.775 1.00 1.25 H new ATOM 0 HE1 PHE A 23 3.290 -5.394 5.860 1.00 1.21 H new ATOM 0 HE2 PHE A 23 2.850 -1.160 5.724 1.00 1.27 H new ATOM 0 HZ PHE A 23 2.324 -3.323 6.775 1.00 0.35 H new ATOM 396 N SER A 24 8.775 -3.967 1.462 1.00 0.22 N ATOM 397 CA SER A 24 9.729 -3.937 0.350 1.00 0.27 C ATOM 398 C SER A 24 9.233 -4.724 -0.877 1.00 0.26 C ATOM 399 O SER A 24 9.956 -4.856 -1.867 1.00 0.44 O ATOM 400 CB SER A 24 11.096 -4.461 0.837 1.00 0.37 C ATOM 401 OG SER A 24 11.087 -5.868 1.030 1.00 1.04 O ATOM 0 H SER A 24 8.828 -4.811 2.032 1.00 0.22 H new ATOM 0 HA SER A 24 9.832 -2.903 0.021 1.00 0.27 H new ATOM 0 HB2 SER A 24 11.865 -4.199 0.110 1.00 0.37 H new ATOM 0 HB3 SER A 24 11.361 -3.968 1.772 1.00 0.37 H new ATOM 0 HG SER A 24 11.970 -6.162 1.337 1.00 1.04 H new ATOM 407 N SER A 25 7.989 -5.193 -0.828 1.00 0.21 N ATOM 408 CA SER A 25 7.388 -5.936 -1.934 1.00 0.22 C ATOM 409 C SER A 25 5.863 -5.916 -1.819 1.00 0.20 C ATOM 410 O SER A 25 5.313 -5.612 -0.755 1.00 0.24 O ATOM 411 CB SER A 25 7.911 -7.387 -1.960 1.00 0.31 C ATOM 412 OG SER A 25 7.954 -7.957 -0.657 1.00 0.43 O ATOM 0 H SER A 25 7.371 -5.070 -0.026 1.00 0.21 H new ATOM 0 HA SER A 25 7.672 -5.455 -2.870 1.00 0.22 H new ATOM 0 HB2 SER A 25 7.270 -7.993 -2.601 1.00 0.31 H new ATOM 0 HB3 SER A 25 8.909 -7.406 -2.398 1.00 0.31 H new ATOM 0 HG SER A 25 8.288 -8.876 -0.713 1.00 0.43 H new ATOM 418 N GLN A 26 5.186 -6.231 -2.923 1.00 0.22 N ATOM 419 CA GLN A 26 3.721 -6.294 -2.961 1.00 0.23 C ATOM 420 C GLN A 26 3.204 -7.403 -2.032 1.00 0.27 C ATOM 421 O GLN A 26 2.434 -7.141 -1.113 1.00 0.44 O ATOM 422 CB GLN A 26 3.251 -6.540 -4.398 1.00 0.33 C ATOM 423 CG GLN A 26 3.830 -5.563 -5.423 1.00 0.48 C ATOM 424 CD GLN A 26 4.976 -6.147 -6.235 1.00 0.76 C ATOM 425 OE1 GLN A 26 5.852 -6.827 -5.700 1.00 1.53 O ATOM 426 NE2 GLN A 26 4.977 -5.882 -7.531 1.00 0.81 N ATOM 0 H GLN A 26 5.633 -6.449 -3.814 1.00 0.22 H new ATOM 0 HA GLN A 26 3.318 -5.343 -2.613 1.00 0.23 H new ATOM 0 HB2 GLN A 26 3.521 -7.555 -4.688 1.00 0.33 H new ATOM 0 HB3 GLN A 26 2.163 -6.478 -4.428 1.00 0.33 H new ATOM 0 HG2 GLN A 26 3.037 -5.248 -6.102 1.00 0.48 H new ATOM 0 HG3 GLN A 26 4.180 -4.670 -4.905 1.00 0.48 H new ATOM 0 HE21 GLN A 26 4.233 -5.314 -7.936 1.00 0.81 H new ATOM 0 HE22 GLN A 26 5.722 -6.245 -8.125 1.00 0.81 H new ATOM 435 N GLY A 27 3.720 -8.621 -2.227 1.00 0.23 N ATOM 436 CA GLY A 27 3.348 -9.783 -1.402 1.00 0.25 C ATOM 437 C GLY A 27 3.392 -9.534 0.109 1.00 0.23 C ATOM 438 O GLY A 27 2.576 -10.082 0.857 1.00 0.30 O ATOM 0 H GLY A 27 4.403 -8.832 -2.955 1.00 0.23 H new ATOM 0 HA2 GLY A 27 2.341 -10.099 -1.676 1.00 0.25 H new ATOM 0 HA3 GLY A 27 4.017 -10.610 -1.640 1.00 0.25 H new ATOM 442 N GLU A 28 4.318 -8.677 0.553 1.00 0.22 N ATOM 443 CA GLU A 28 4.443 -8.326 1.972 1.00 0.25 C ATOM 444 C GLU A 28 3.222 -7.526 2.462 1.00 0.20 C ATOM 445 O GLU A 28 2.653 -7.833 3.515 1.00 0.24 O ATOM 446 CB GLU A 28 5.743 -7.529 2.200 1.00 0.34 C ATOM 447 CG GLU A 28 6.161 -7.418 3.668 1.00 0.96 C ATOM 448 CD GLU A 28 7.004 -8.586 4.138 1.00 1.05 C ATOM 449 OE1 GLU A 28 6.432 -9.658 4.416 1.00 1.59 O ATOM 450 OE2 GLU A 28 8.239 -8.440 4.214 1.00 1.62 O ATOM 0 H GLU A 28 4.994 -8.212 -0.053 1.00 0.22 H new ATOM 0 HA GLU A 28 4.483 -9.248 2.552 1.00 0.25 H new ATOM 0 HB2 GLU A 28 6.549 -8.002 1.639 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.617 -6.526 1.793 1.00 0.34 H new ATOM 0 HG2 GLU A 28 6.721 -6.494 3.811 1.00 0.96 H new ATOM 0 HG3 GLU A 28 5.268 -7.349 4.289 1.00 0.96 H new ATOM 457 N ILE A 29 2.812 -6.515 1.683 1.00 0.17 N ATOM 458 CA ILE A 29 1.642 -5.689 2.034 1.00 0.15 C ATOM 459 C ILE A 29 0.329 -6.447 1.762 1.00 0.14 C ATOM 460 O ILE A 29 -0.682 -6.199 2.421 1.00 0.16 O ATOM 461 CB ILE A 29 1.677 -4.275 1.347 1.00 0.16 C ATOM 462 CG1 ILE A 29 0.314 -3.810 0.816 1.00 0.15 C ATOM 463 CG2 ILE A 29 2.710 -4.205 0.225 1.00 0.23 C ATOM 464 CD1 ILE A 29 0.354 -2.391 0.275 1.00 0.16 C ATOM 0 H ILE A 29 3.268 -6.249 0.810 1.00 0.17 H new ATOM 0 HA ILE A 29 1.688 -5.496 3.106 1.00 0.15 H new ATOM 0 HB ILE A 29 1.967 -3.592 2.146 1.00 0.16 H new ATOM 0 HG12 ILE A 29 -0.015 -4.487 0.028 1.00 0.15 H new ATOM 0 HG13 ILE A 29 -0.424 -3.870 1.616 1.00 0.15 H new ATOM 0 HG21 ILE A 29 2.698 -3.210 -0.219 1.00 0.23 H new ATOM 0 HG22 ILE A 29 3.701 -4.409 0.630 1.00 0.23 H new ATOM 0 HG23 ILE A 29 2.470 -4.946 -0.538 1.00 0.23 H new ATOM 0 HD11 ILE A 29 -0.635 -2.112 -0.088 1.00 0.16 H new ATOM 0 HD12 ILE A 29 0.656 -1.707 1.069 1.00 0.16 H new ATOM 0 HD13 ILE A 29 1.070 -2.334 -0.545 1.00 0.16 H new ATOM 476 N VAL A 30 0.385 -7.448 0.870 1.00 0.14 N ATOM 477 CA VAL A 30 -0.763 -8.320 0.587 1.00 0.16 C ATOM 478 C VAL A 30 -1.160 -9.097 1.853 1.00 0.17 C ATOM 479 O VAL A 30 -2.306 -9.026 2.315 1.00 0.24 O ATOM 480 CB VAL A 30 -0.438 -9.331 -0.553 1.00 0.18 C ATOM 481 CG1 VAL A 30 -1.571 -10.327 -0.747 1.00 0.29 C ATOM 482 CG2 VAL A 30 -0.150 -8.622 -1.872 1.00 0.23 C ATOM 0 H VAL A 30 1.220 -7.674 0.329 1.00 0.14 H new ATOM 0 HA VAL A 30 -1.590 -7.687 0.266 1.00 0.16 H new ATOM 0 HB VAL A 30 0.459 -9.869 -0.247 1.00 0.18 H new ATOM 0 HG11 VAL A 30 -1.314 -11.019 -1.549 1.00 0.29 H new ATOM 0 HG12 VAL A 30 -1.728 -10.884 0.177 1.00 0.29 H new ATOM 0 HG13 VAL A 30 -2.485 -9.793 -1.008 1.00 0.29 H new ATOM 0 HG21 VAL A 30 0.072 -9.361 -2.642 1.00 0.23 H new ATOM 0 HG22 VAL A 30 -1.022 -8.039 -2.170 1.00 0.23 H new ATOM 0 HG23 VAL A 30 0.706 -7.958 -1.749 1.00 0.23 H new ATOM 492 N ALA A 31 -0.180 -9.801 2.432 1.00 0.17 N ATOM 493 CA ALA A 31 -0.383 -10.574 3.663 1.00 0.21 C ATOM 494 C ALA A 31 -0.730 -9.660 4.849 1.00 0.21 C ATOM 495 O ALA A 31 -1.541 -10.023 5.700 1.00 0.26 O ATOM 496 CB ALA A 31 0.857 -11.407 3.974 1.00 0.25 C ATOM 0 H ALA A 31 0.770 -9.851 2.063 1.00 0.17 H new ATOM 0 HA ALA A 31 -1.228 -11.244 3.504 1.00 0.21 H new ATOM 0 HB1 ALA A 31 0.693 -11.975 4.889 1.00 0.25 H new ATOM 0 HB2 ALA A 31 1.050 -12.094 3.150 1.00 0.25 H new ATOM 0 HB3 ALA A 31 1.715 -10.747 4.105 1.00 0.25 H new ATOM 502 N ALA A 32 -0.123 -8.463 4.886 1.00 0.18 N ATOM 503 CA ALA A 32 -0.370 -7.490 5.962 1.00 0.20 C ATOM 504 C ALA A 32 -1.849 -7.085 6.040 1.00 0.18 C ATOM 505 O ALA A 32 -2.461 -7.148 7.109 1.00 0.24 O ATOM 506 CB ALA A 32 0.511 -6.254 5.786 1.00 0.21 C ATOM 0 H ALA A 32 0.543 -8.146 4.182 1.00 0.18 H new ATOM 0 HA ALA A 32 -0.111 -7.976 6.903 1.00 0.20 H new ATOM 0 HB1 ALA A 32 0.312 -5.548 6.592 1.00 0.21 H new ATOM 0 HB2 ALA A 32 1.560 -6.548 5.812 1.00 0.21 H new ATOM 0 HB3 ALA A 32 0.290 -5.783 4.828 1.00 0.21 H new ATOM 512 N LEU A 33 -2.430 -6.696 4.899 1.00 0.15 N ATOM 513 CA LEU A 33 -3.846 -6.292 4.854 1.00 0.15 C ATOM 514 C LEU A 33 -4.772 -7.486 5.137 1.00 0.17 C ATOM 515 O LEU A 33 -5.808 -7.335 5.788 1.00 0.21 O ATOM 516 CB LEU A 33 -4.194 -5.638 3.510 1.00 0.21 C ATOM 517 CG LEU A 33 -3.356 -4.400 3.160 1.00 0.29 C ATOM 518 CD1 LEU A 33 -3.244 -4.229 1.653 1.00 0.47 C ATOM 519 CD2 LEU A 33 -3.953 -3.152 3.802 1.00 0.37 C ATOM 0 H LEU A 33 -1.949 -6.651 4.000 1.00 0.15 H new ATOM 0 HA LEU A 33 -4.003 -5.551 5.638 1.00 0.15 H new ATOM 0 HB2 LEU A 33 -4.071 -6.378 2.719 1.00 0.21 H new ATOM 0 HB3 LEU A 33 -5.247 -5.355 3.521 1.00 0.21 H new ATOM 0 HG LEU A 33 -2.352 -4.545 3.558 1.00 0.29 H new ATOM 0 HD11 LEU A 33 -2.646 -3.345 1.431 1.00 0.47 H new ATOM 0 HD12 LEU A 33 -2.766 -5.109 1.222 1.00 0.47 H new ATOM 0 HD13 LEU A 33 -4.240 -4.110 1.225 1.00 0.47 H new ATOM 0 HD21 LEU A 33 -3.346 -2.284 3.543 1.00 0.37 H new ATOM 0 HD22 LEU A 33 -4.970 -3.006 3.437 1.00 0.37 H new ATOM 0 HD23 LEU A 33 -3.970 -3.273 4.885 1.00 0.37 H new ATOM 531 N GLN A 34 -4.357 -8.691 4.731 1.00 0.20 N ATOM 532 CA GLN A 34 -5.136 -9.901 5.024 1.00 0.26 C ATOM 533 C GLN A 34 -5.257 -10.123 6.543 1.00 0.29 C ATOM 534 O GLN A 34 -6.306 -10.544 7.029 1.00 0.38 O ATOM 535 CB GLN A 34 -4.515 -11.130 4.347 1.00 0.29 C ATOM 536 CG GLN A 34 -4.755 -11.182 2.839 1.00 0.33 C ATOM 537 CD GLN A 34 -3.863 -12.187 2.129 1.00 0.58 C ATOM 538 OE1 GLN A 34 -3.109 -12.920 2.767 1.00 1.12 O ATOM 539 NE2 GLN A 34 -3.930 -12.227 0.806 1.00 0.58 N ATOM 0 H GLN A 34 -3.498 -8.855 4.206 1.00 0.20 H new ATOM 0 HA GLN A 34 -6.138 -9.759 4.620 1.00 0.26 H new ATOM 0 HB2 GLN A 34 -3.442 -11.136 4.536 1.00 0.29 H new ATOM 0 HB3 GLN A 34 -4.924 -12.032 4.803 1.00 0.29 H new ATOM 0 HG2 GLN A 34 -5.799 -11.435 2.651 1.00 0.33 H new ATOM 0 HG3 GLN A 34 -4.586 -10.192 2.416 1.00 0.33 H new ATOM 0 HE21 GLN A 34 -4.567 -11.605 0.309 1.00 0.58 H new ATOM 0 HE22 GLN A 34 -3.345 -12.880 0.285 1.00 0.58 H new ATOM 548 N GLU A 35 -4.202 -9.765 7.291 1.00 0.28 N ATOM 549 CA GLU A 35 -4.218 -9.854 8.758 1.00 0.34 C ATOM 550 C GLU A 35 -5.115 -8.768 9.373 1.00 0.34 C ATOM 551 O GLU A 35 -5.799 -9.016 10.365 1.00 0.45 O ATOM 552 CB GLU A 35 -2.798 -9.716 9.333 1.00 0.37 C ATOM 553 CG GLU A 35 -1.789 -10.710 8.763 1.00 0.65 C ATOM 554 CD GLU A 35 -0.916 -11.342 9.829 1.00 1.20 C ATOM 555 OE1 GLU A 35 -1.454 -12.092 10.666 1.00 1.78 O ATOM 556 OE2 GLU A 35 0.300 -11.073 9.842 1.00 1.94 O ATOM 0 H GLU A 35 -3.327 -9.411 6.903 1.00 0.28 H new ATOM 0 HA GLU A 35 -4.619 -10.835 9.015 1.00 0.34 H new ATOM 0 HB2 GLU A 35 -2.439 -8.704 9.145 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -2.843 -9.842 10.415 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -2.323 -11.494 8.226 1.00 0.65 H new ATOM 0 HG3 GLU A 35 -1.156 -10.201 8.037 1.00 0.65 H new ATOM 563 N GLN A 36 -5.086 -7.559 8.786 1.00 0.26 N ATOM 564 CA GLN A 36 -5.887 -6.425 9.272 1.00 0.28 C ATOM 565 C GLN A 36 -7.386 -6.753 9.247 1.00 0.30 C ATOM 566 O GLN A 36 -8.031 -6.850 10.293 1.00 0.39 O ATOM 567 CB GLN A 36 -5.599 -5.169 8.425 1.00 0.26 C ATOM 568 CG GLN A 36 -4.180 -4.633 8.591 1.00 0.31 C ATOM 569 CD GLN A 36 -4.100 -3.122 8.448 1.00 0.49 C ATOM 570 OE1 GLN A 36 -4.737 -2.532 7.574 1.00 1.42 O ATOM 571 NE2 GLN A 36 -3.323 -2.491 9.311 1.00 0.65 N ATOM 0 H GLN A 36 -4.513 -7.343 7.970 1.00 0.26 H new ATOM 0 HA GLN A 36 -5.604 -6.229 10.306 1.00 0.28 H new ATOM 0 HB2 GLN A 36 -5.770 -5.403 7.374 1.00 0.26 H new ATOM 0 HB3 GLN A 36 -6.308 -4.387 8.697 1.00 0.26 H new ATOM 0 HG2 GLN A 36 -3.800 -4.921 9.571 1.00 0.31 H new ATOM 0 HG3 GLN A 36 -3.532 -5.098 7.849 1.00 0.31 H new ATOM 0 HE21 GLN A 36 -2.813 -3.019 10.019 1.00 0.65 H new ATOM 0 HE22 GLN A 36 -3.233 -1.476 9.269 1.00 0.65 H new ATOM 580 N GLY A 37 -7.918 -6.961 8.047 1.00 0.28 N ATOM 581 CA GLY A 37 -9.328 -7.289 7.896 1.00 0.33 C ATOM 582 C GLY A 37 -9.801 -7.178 6.462 1.00 0.34 C ATOM 583 O GLY A 37 -10.941 -6.779 6.213 1.00 0.46 O ATOM 0 H GLY A 37 -7.397 -6.908 7.172 1.00 0.28 H new ATOM 0 HA2 GLY A 37 -9.502 -8.304 8.255 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -9.921 -6.623 8.523 1.00 0.33 H new ATOM 587 N PHE A 38 -8.928 -7.529 5.513 1.00 0.30 N ATOM 588 CA PHE A 38 -9.255 -7.445 4.088 1.00 0.34 C ATOM 589 C PHE A 38 -9.107 -8.813 3.426 1.00 0.45 C ATOM 590 O PHE A 38 -7.997 -9.305 3.229 1.00 0.83 O ATOM 591 CB PHE A 38 -8.363 -6.403 3.406 1.00 0.31 C ATOM 592 CG PHE A 38 -8.439 -5.051 4.060 1.00 0.26 C ATOM 593 CD1 PHE A 38 -7.617 -4.745 5.134 1.00 1.19 C ATOM 594 CD2 PHE A 38 -9.367 -4.112 3.649 1.00 1.24 C ATOM 595 CE1 PHE A 38 -7.697 -3.529 5.765 1.00 1.19 C ATOM 596 CE2 PHE A 38 -9.451 -2.887 4.283 1.00 1.26 C ATOM 597 CZ PHE A 38 -8.610 -2.597 5.340 1.00 0.29 C ATOM 0 H PHE A 38 -7.988 -7.874 5.707 1.00 0.30 H new ATOM 0 HA PHE A 38 -10.293 -7.131 3.980 1.00 0.34 H new ATOM 0 HB2 PHE A 38 -7.330 -6.751 3.421 1.00 0.31 H new ATOM 0 HB3 PHE A 38 -8.654 -6.312 2.359 1.00 0.31 H new ATOM 0 HD1 PHE A 38 -6.901 -5.476 5.480 1.00 1.19 H new ATOM 0 HD2 PHE A 38 -10.030 -4.337 2.827 1.00 1.24 H new ATOM 0 HE1 PHE A 38 -7.043 -3.306 6.595 1.00 1.19 H new ATOM 0 HE2 PHE A 38 -10.174 -2.156 3.952 1.00 1.26 H new ATOM 0 HZ PHE A 38 -8.671 -1.637 5.832 1.00 0.29 H new ATOM 607 N ASP A 39 -10.245 -9.430 3.114 1.00 0.46 N ATOM 608 CA ASP A 39 -10.288 -10.775 2.510 1.00 0.58 C ATOM 609 C ASP A 39 -10.471 -10.724 0.988 1.00 0.69 C ATOM 610 O ASP A 39 -10.843 -11.720 0.362 1.00 1.55 O ATOM 611 CB ASP A 39 -11.420 -11.592 3.152 1.00 0.72 C ATOM 612 CG ASP A 39 -10.999 -13.005 3.504 1.00 1.53 C ATOM 613 OD1 ASP A 39 -10.401 -13.194 4.582 1.00 2.21 O ATOM 614 OD2 ASP A 39 -11.247 -13.919 2.695 1.00 2.24 O ATOM 0 H ASP A 39 -11.165 -9.019 3.269 1.00 0.46 H new ATOM 0 HA ASP A 39 -9.328 -11.255 2.702 1.00 0.58 H new ATOM 0 HB2 ASP A 39 -11.762 -11.084 4.054 1.00 0.72 H new ATOM 0 HB3 ASP A 39 -12.267 -11.630 2.467 1.00 0.72 H new ATOM 619 N ASN A 40 -10.214 -9.559 0.413 1.00 0.95 N ATOM 620 CA ASN A 40 -10.287 -9.348 -1.034 1.00 1.07 C ATOM 621 C ASN A 40 -9.013 -8.644 -1.509 1.00 0.91 C ATOM 622 O ASN A 40 -9.066 -7.556 -2.088 1.00 1.18 O ATOM 623 CB ASN A 40 -11.548 -8.533 -1.406 1.00 1.35 C ATOM 624 CG ASN A 40 -12.061 -8.845 -2.803 1.00 1.76 C ATOM 625 OD1 ASN A 40 -11.912 -8.046 -3.728 1.00 2.30 O ATOM 626 ND2 ASN A 40 -12.656 -10.017 -2.967 1.00 2.30 N ATOM 0 H ASN A 40 -9.947 -8.725 0.936 1.00 0.95 H new ATOM 0 HA ASN A 40 -10.363 -10.313 -1.535 1.00 1.07 H new ATOM 0 HB2 ASN A 40 -12.335 -8.739 -0.681 1.00 1.35 H new ATOM 0 HB3 ASN A 40 -11.321 -7.469 -1.337 1.00 1.35 H new ATOM 0 HD21 ASN A 40 -13.010 -10.285 -3.885 1.00 2.30 H new ATOM 0 HD22 ASN A 40 -12.760 -10.651 -2.175 1.00 2.30 H new ATOM 633 N ILE A 41 -7.866 -9.258 -1.211 1.00 0.58 N ATOM 634 CA ILE A 41 -6.559 -8.691 -1.544 1.00 0.44 C ATOM 635 C ILE A 41 -5.603 -9.784 -2.033 1.00 0.39 C ATOM 636 O ILE A 41 -5.498 -10.856 -1.432 1.00 0.62 O ATOM 637 CB ILE A 41 -5.969 -7.936 -0.311 1.00 0.40 C ATOM 638 CG1 ILE A 41 -6.251 -6.435 -0.433 1.00 0.60 C ATOM 639 CG2 ILE A 41 -4.473 -8.163 -0.119 1.00 0.39 C ATOM 640 CD1 ILE A 41 -5.283 -5.693 -1.335 1.00 1.68 C ATOM 0 H ILE A 41 -7.818 -10.158 -0.734 1.00 0.58 H new ATOM 0 HA ILE A 41 -6.685 -7.974 -2.355 1.00 0.44 H new ATOM 0 HB ILE A 41 -6.465 -8.347 0.568 1.00 0.40 H new ATOM 0 HG12 ILE A 41 -7.263 -6.296 -0.813 1.00 0.60 H new ATOM 0 HG13 ILE A 41 -6.219 -5.989 0.561 1.00 0.60 H new ATOM 0 HG21 ILE A 41 -4.130 -7.609 0.755 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -4.282 -9.226 0.027 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -3.936 -7.816 -1.002 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -5.552 -4.637 -1.367 1.00 1.68 H new ATOM 0 HD12 ILE A 41 -4.270 -5.798 -0.946 1.00 1.68 H new ATOM 0 HD13 ILE A 41 -5.330 -6.110 -2.341 1.00 1.68 H new ATOM 652 N ASN A 42 -4.902 -9.484 -3.123 1.00 0.33 N ATOM 653 CA ASN A 42 -3.921 -10.399 -3.720 1.00 0.31 C ATOM 654 C ASN A 42 -2.773 -9.600 -4.348 1.00 0.24 C ATOM 655 O ASN A 42 -2.805 -8.366 -4.371 1.00 0.25 O ATOM 656 CB ASN A 42 -4.588 -11.321 -4.768 1.00 0.40 C ATOM 657 CG ASN A 42 -5.239 -10.565 -5.917 1.00 0.48 C ATOM 658 OD1 ASN A 42 -4.570 -10.183 -6.875 1.00 0.66 O ATOM 659 ND2 ASN A 42 -6.539 -10.332 -5.818 1.00 0.91 N ATOM 0 H ASN A 42 -4.995 -8.599 -3.622 1.00 0.33 H new ATOM 0 HA ASN A 42 -3.515 -11.034 -2.932 1.00 0.31 H new ATOM 0 HB2 ASN A 42 -3.838 -12.002 -5.171 1.00 0.40 H new ATOM 0 HB3 ASN A 42 -5.342 -11.934 -4.274 1.00 0.40 H new ATOM 0 HD21 ASN A 42 -7.022 -9.818 -6.554 1.00 0.91 H new ATOM 0 HD22 ASN A 42 -7.057 -10.667 -5.006 1.00 0.91 H new ATOM 666 N GLN A 43 -1.772 -10.308 -4.881 1.00 0.24 N ATOM 667 CA GLN A 43 -0.598 -9.672 -5.503 1.00 0.26 C ATOM 668 C GLN A 43 -0.993 -8.711 -6.637 1.00 0.22 C ATOM 669 O GLN A 43 -0.493 -7.588 -6.699 1.00 0.24 O ATOM 670 CB GLN A 43 0.375 -10.739 -6.030 1.00 0.37 C ATOM 671 CG GLN A 43 1.795 -10.222 -6.241 1.00 0.56 C ATOM 672 CD GLN A 43 2.694 -11.234 -6.934 1.00 0.88 C ATOM 673 OE1 GLN A 43 3.729 -11.631 -6.397 1.00 1.66 O ATOM 674 NE2 GLN A 43 2.303 -11.664 -8.128 1.00 1.43 N ATOM 0 H GLN A 43 -1.748 -11.328 -4.896 1.00 0.24 H new ATOM 0 HA GLN A 43 -0.104 -9.083 -4.730 1.00 0.26 H new ATOM 0 HB2 GLN A 43 0.402 -11.572 -5.328 1.00 0.37 H new ATOM 0 HB3 GLN A 43 -0.004 -11.130 -6.974 1.00 0.37 H new ATOM 0 HG2 GLN A 43 1.760 -9.308 -6.834 1.00 0.56 H new ATOM 0 HG3 GLN A 43 2.228 -9.959 -5.276 1.00 0.56 H new ATOM 0 HE21 GLN A 43 1.439 -11.311 -8.539 1.00 1.43 H new ATOM 0 HE22 GLN A 43 2.867 -12.347 -8.634 1.00 1.43 H new ATOM 683 N SER A 44 -1.922 -9.145 -7.499 1.00 0.25 N ATOM 684 CA SER A 44 -2.410 -8.325 -8.617 1.00 0.29 C ATOM 685 C SER A 44 -3.137 -7.062 -8.127 1.00 0.28 C ATOM 686 O SER A 44 -2.953 -5.978 -8.681 1.00 0.34 O ATOM 687 CB SER A 44 -3.345 -9.150 -9.525 1.00 0.36 C ATOM 688 OG SER A 44 -3.076 -10.546 -9.448 1.00 0.83 O ATOM 0 H SER A 44 -2.354 -10.067 -7.443 1.00 0.25 H new ATOM 0 HA SER A 44 -1.538 -8.008 -9.190 1.00 0.29 H new ATOM 0 HB2 SER A 44 -4.381 -8.965 -9.240 1.00 0.36 H new ATOM 0 HB3 SER A 44 -3.234 -8.817 -10.557 1.00 0.36 H new ATOM 0 HG SER A 44 -3.557 -10.930 -8.685 1.00 0.83 H new ATOM 694 N LYS A 45 -3.962 -7.209 -7.082 1.00 0.27 N ATOM 695 CA LYS A 45 -4.698 -6.075 -6.495 1.00 0.30 C ATOM 696 C LYS A 45 -3.733 -5.068 -5.840 1.00 0.22 C ATOM 697 O LYS A 45 -3.977 -3.862 -5.854 1.00 0.26 O ATOM 698 CB LYS A 45 -5.717 -6.587 -5.453 1.00 0.39 C ATOM 699 CG LYS A 45 -6.916 -5.664 -5.224 1.00 0.64 C ATOM 700 CD LYS A 45 -8.224 -6.450 -5.201 1.00 1.44 C ATOM 701 CE LYS A 45 -9.350 -5.667 -4.534 1.00 1.92 C ATOM 702 NZ LYS A 45 -9.795 -4.505 -5.349 1.00 2.16 N ATOM 0 H LYS A 45 -4.139 -8.103 -6.623 1.00 0.27 H new ATOM 0 HA LYS A 45 -5.231 -5.564 -7.297 1.00 0.30 H new ATOM 0 HB2 LYS A 45 -6.083 -7.563 -5.772 1.00 0.39 H new ATOM 0 HB3 LYS A 45 -5.202 -6.734 -4.503 1.00 0.39 H new ATOM 0 HG2 LYS A 45 -6.793 -5.131 -4.281 1.00 0.64 H new ATOM 0 HG3 LYS A 45 -6.955 -4.912 -6.012 1.00 0.64 H new ATOM 0 HD2 LYS A 45 -8.513 -6.703 -6.221 1.00 1.44 H new ATOM 0 HD3 LYS A 45 -8.073 -7.390 -4.671 1.00 1.44 H new ATOM 0 HE2 LYS A 45 -10.197 -6.331 -4.361 1.00 1.92 H new ATOM 0 HE3 LYS A 45 -9.015 -5.316 -3.558 1.00 1.92 H new ATOM 0 HZ1 LYS A 45 -10.561 -4.006 -4.853 1.00 2.16 H new ATOM 0 HZ2 LYS A 45 -8.995 -3.856 -5.494 1.00 2.16 H new ATOM 0 HZ3 LYS A 45 -10.140 -4.840 -6.271 1.00 2.16 H new ATOM 716 N VAL A 46 -2.637 -5.585 -5.279 1.00 0.17 N ATOM 717 CA VAL A 46 -1.617 -4.769 -4.613 1.00 0.15 C ATOM 718 C VAL A 46 -0.714 -4.061 -5.637 1.00 0.15 C ATOM 719 O VAL A 46 -0.437 -2.870 -5.491 1.00 0.20 O ATOM 720 CB VAL A 46 -0.811 -5.639 -3.608 1.00 0.18 C ATOM 721 CG1 VAL A 46 0.492 -4.986 -3.174 1.00 0.23 C ATOM 722 CG2 VAL A 46 -1.679 -5.926 -2.379 1.00 0.22 C ATOM 0 H VAL A 46 -2.431 -6.584 -5.274 1.00 0.17 H new ATOM 0 HA VAL A 46 -2.110 -3.981 -4.044 1.00 0.15 H new ATOM 0 HB VAL A 46 -0.547 -6.566 -4.118 1.00 0.18 H new ATOM 0 HG11 VAL A 46 1.011 -5.640 -2.473 1.00 0.23 H new ATOM 0 HG12 VAL A 46 1.123 -4.817 -4.047 1.00 0.23 H new ATOM 0 HG13 VAL A 46 0.278 -4.033 -2.691 1.00 0.23 H new ATOM 0 HG21 VAL A 46 -1.118 -6.536 -1.671 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -1.960 -4.986 -1.904 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -2.578 -6.461 -2.685 1.00 0.22 H new ATOM 732 N SER A 47 -0.330 -4.760 -6.710 1.00 0.17 N ATOM 733 CA SER A 47 0.486 -4.152 -7.773 1.00 0.21 C ATOM 734 C SER A 47 -0.316 -3.090 -8.541 1.00 0.22 C ATOM 735 O SER A 47 0.224 -2.045 -8.928 1.00 0.24 O ATOM 736 CB SER A 47 1.023 -5.225 -8.735 1.00 0.29 C ATOM 737 OG SER A 47 0.010 -6.137 -9.126 1.00 1.26 O ATOM 0 H SER A 47 -0.567 -5.739 -6.868 1.00 0.17 H new ATOM 0 HA SER A 47 1.337 -3.661 -7.301 1.00 0.21 H new ATOM 0 HB2 SER A 47 1.440 -4.744 -9.620 1.00 0.29 H new ATOM 0 HB3 SER A 47 1.836 -5.769 -8.255 1.00 0.29 H new ATOM 0 HG SER A 47 -0.140 -6.787 -8.408 1.00 1.26 H new ATOM 743 N ARG A 48 -1.625 -3.334 -8.703 1.00 0.23 N ATOM 744 CA ARG A 48 -2.521 -2.372 -9.354 1.00 0.26 C ATOM 745 C ARG A 48 -2.656 -1.112 -8.499 1.00 0.20 C ATOM 746 O ARG A 48 -2.482 0.001 -8.991 1.00 0.22 O ATOM 747 CB ARG A 48 -3.908 -2.991 -9.609 1.00 0.32 C ATOM 748 CG ARG A 48 -3.984 -3.812 -10.889 1.00 0.41 C ATOM 749 CD ARG A 48 -5.408 -3.883 -11.430 1.00 1.03 C ATOM 750 NE ARG A 48 -5.843 -2.611 -12.017 1.00 1.58 N ATOM 751 CZ ARG A 48 -5.519 -2.200 -13.247 1.00 2.32 C ATOM 752 NH1 ARG A 48 -4.757 -2.958 -14.029 1.00 2.75 N ATOM 753 NH2 ARG A 48 -5.963 -1.034 -13.695 1.00 3.20 N ATOM 0 H ARG A 48 -2.085 -4.190 -8.392 1.00 0.23 H new ATOM 0 HA ARG A 48 -2.086 -2.104 -10.317 1.00 0.26 H new ATOM 0 HB2 ARG A 48 -4.174 -3.626 -8.764 1.00 0.32 H new ATOM 0 HB3 ARG A 48 -4.650 -2.193 -9.654 1.00 0.32 H new ATOM 0 HG2 ARG A 48 -3.330 -3.373 -11.642 1.00 0.41 H new ATOM 0 HG3 ARG A 48 -3.617 -4.820 -10.697 1.00 0.41 H new ATOM 0 HD2 ARG A 48 -5.470 -4.668 -12.183 1.00 1.03 H new ATOM 0 HD3 ARG A 48 -6.087 -4.160 -10.624 1.00 1.03 H new ATOM 0 HE ARG A 48 -6.431 -2.000 -11.450 1.00 1.58 H new ATOM 0 HH11 ARG A 48 -4.416 -3.858 -13.691 1.00 2.75 H new ATOM 0 HH12 ARG A 48 -4.513 -2.639 -14.967 1.00 2.75 H new ATOM 0 HH21 ARG A 48 -6.552 -0.450 -13.101 1.00 3.20 H new ATOM 0 HH22 ARG A 48 -5.716 -0.721 -14.634 1.00 3.20 H new ATOM 767 N MET A 49 -2.898 -1.306 -7.200 1.00 0.17 N ATOM 768 CA MET A 49 -3.013 -0.200 -6.247 1.00 0.16 C ATOM 769 C MET A 49 -1.699 0.596 -6.150 1.00 0.13 C ATOM 770 O MET A 49 -1.718 1.822 -6.068 1.00 0.14 O ATOM 771 CB MET A 49 -3.420 -0.727 -4.877 1.00 0.18 C ATOM 772 CG MET A 49 -4.905 -1.063 -4.752 1.00 0.27 C ATOM 773 SD MET A 49 -5.869 -0.848 -6.270 1.00 1.49 S ATOM 774 CE MET A 49 -6.994 0.452 -5.779 1.00 2.00 C ATOM 0 H MET A 49 -3.019 -2.228 -6.782 1.00 0.17 H new ATOM 0 HA MET A 49 -3.785 0.479 -6.609 1.00 0.16 H new ATOM 0 HB2 MET A 49 -2.837 -1.621 -4.656 1.00 0.18 H new ATOM 0 HB3 MET A 49 -3.162 0.016 -4.123 1.00 0.18 H new ATOM 0 HG2 MET A 49 -5.001 -2.097 -4.422 1.00 0.27 H new ATOM 0 HG3 MET A 49 -5.339 -0.437 -3.972 1.00 0.27 H new ATOM 0 HE1 MET A 49 -7.642 0.708 -6.617 1.00 2.00 H new ATOM 0 HE2 MET A 49 -7.602 0.110 -4.941 1.00 2.00 H new ATOM 0 HE3 MET A 49 -6.425 1.332 -5.479 1.00 2.00 H new ATOM 784 N LEU A 50 -0.556 -0.108 -6.200 1.00 0.13 N ATOM 785 CA LEU A 50 0.767 0.539 -6.171 1.00 0.14 C ATOM 786 C LEU A 50 0.942 1.485 -7.368 1.00 0.17 C ATOM 787 O LEU A 50 1.412 2.611 -7.216 1.00 0.21 O ATOM 788 CB LEU A 50 1.897 -0.511 -6.155 1.00 0.18 C ATOM 789 CG LEU A 50 2.285 -1.021 -4.758 1.00 0.19 C ATOM 790 CD1 LEU A 50 2.729 -2.479 -4.803 1.00 0.33 C ATOM 791 CD2 LEU A 50 3.370 -0.157 -4.140 1.00 0.32 C ATOM 0 H LEU A 50 -0.521 -1.126 -6.261 1.00 0.13 H new ATOM 0 HA LEU A 50 0.827 1.125 -5.254 1.00 0.14 H new ATOM 0 HB2 LEU A 50 1.592 -1.361 -6.765 1.00 0.18 H new ATOM 0 HB3 LEU A 50 2.780 -0.081 -6.627 1.00 0.18 H new ATOM 0 HG LEU A 50 1.396 -0.956 -4.131 1.00 0.19 H new ATOM 0 HD11 LEU A 50 2.997 -2.809 -3.799 1.00 0.33 H new ATOM 0 HD12 LEU A 50 1.914 -3.096 -5.183 1.00 0.33 H new ATOM 0 HD13 LEU A 50 3.594 -2.576 -5.459 1.00 0.33 H new ATOM 0 HD21 LEU A 50 3.623 -0.542 -3.152 1.00 0.32 H new ATOM 0 HD22 LEU A 50 4.256 -0.176 -4.775 1.00 0.32 H new ATOM 0 HD23 LEU A 50 3.011 0.868 -4.048 1.00 0.32 H new ATOM 803 N THR A 51 0.531 1.024 -8.550 1.00 0.19 N ATOM 804 CA THR A 51 0.598 1.834 -9.772 1.00 0.23 C ATOM 805 C THR A 51 -0.440 2.971 -9.735 1.00 0.24 C ATOM 806 O THR A 51 -0.114 4.130 -9.996 1.00 0.32 O ATOM 807 CB THR A 51 0.372 0.941 -11.009 1.00 0.28 C ATOM 808 OG1 THR A 51 1.143 -0.253 -10.917 1.00 0.35 O ATOM 809 CG2 THR A 51 0.728 1.614 -12.324 1.00 0.34 C ATOM 0 H THR A 51 0.146 0.090 -8.689 1.00 0.19 H new ATOM 0 HA THR A 51 1.589 2.283 -9.835 1.00 0.23 H new ATOM 0 HB THR A 51 -0.697 0.728 -11.010 1.00 0.28 H new ATOM 0 HG1 THR A 51 0.712 -0.873 -10.293 1.00 0.35 H new ATOM 0 HG21 THR A 51 0.543 0.924 -13.148 1.00 0.34 H new ATOM 0 HG22 THR A 51 0.116 2.507 -12.453 1.00 0.34 H new ATOM 0 HG23 THR A 51 1.781 1.894 -12.316 1.00 0.34 H new ATOM 817 N LYS A 52 -1.677 2.627 -9.353 1.00 0.20 N ATOM 818 CA LYS A 52 -2.791 3.586 -9.274 1.00 0.22 C ATOM 819 C LYS A 52 -2.507 4.742 -8.299 1.00 0.24 C ATOM 820 O LYS A 52 -2.766 5.906 -8.611 1.00 0.32 O ATOM 821 CB LYS A 52 -4.074 2.845 -8.851 1.00 0.22 C ATOM 822 CG LYS A 52 -5.353 3.655 -9.032 1.00 0.32 C ATOM 823 CD LYS A 52 -6.160 3.724 -7.737 1.00 0.46 C ATOM 824 CE LYS A 52 -7.583 4.202 -7.988 1.00 0.74 C ATOM 825 NZ LYS A 52 -8.315 3.308 -8.922 1.00 1.23 N ATOM 0 H LYS A 52 -1.935 1.676 -9.090 1.00 0.20 H new ATOM 0 HA LYS A 52 -2.917 4.027 -10.263 1.00 0.22 H new ATOM 0 HB2 LYS A 52 -4.156 1.924 -9.429 1.00 0.22 H new ATOM 0 HB3 LYS A 52 -3.985 2.557 -7.804 1.00 0.22 H new ATOM 0 HG2 LYS A 52 -5.103 4.664 -9.360 1.00 0.32 H new ATOM 0 HG3 LYS A 52 -5.961 3.206 -9.817 1.00 0.32 H new ATOM 0 HD2 LYS A 52 -6.183 2.740 -7.269 1.00 0.46 H new ATOM 0 HD3 LYS A 52 -5.667 4.398 -7.036 1.00 0.46 H new ATOM 0 HE2 LYS A 52 -8.120 4.254 -7.041 1.00 0.74 H new ATOM 0 HE3 LYS A 52 -7.559 5.212 -8.397 1.00 0.74 H new ATOM 0 HZ1 LYS A 52 -9.338 3.403 -8.763 1.00 1.23 H new ATOM 0 HZ2 LYS A 52 -8.091 3.572 -9.903 1.00 1.23 H new ATOM 0 HZ3 LYS A 52 -8.029 2.322 -8.755 1.00 1.23 H new ATOM 839 N PHE A 53 -1.986 4.409 -7.117 1.00 0.23 N ATOM 840 CA PHE A 53 -1.677 5.408 -6.085 1.00 0.27 C ATOM 841 C PHE A 53 -0.298 6.063 -6.303 1.00 0.31 C ATOM 842 O PHE A 53 0.100 6.936 -5.533 1.00 0.49 O ATOM 843 CB PHE A 53 -1.763 4.760 -4.692 1.00 0.25 C ATOM 844 CG PHE A 53 -3.157 4.327 -4.321 1.00 0.27 C ATOM 845 CD1 PHE A 53 -4.229 5.209 -4.393 1.00 1.13 C ATOM 846 CD2 PHE A 53 -3.397 3.026 -3.913 1.00 1.24 C ATOM 847 CE1 PHE A 53 -5.504 4.793 -4.059 1.00 1.13 C ATOM 848 CE2 PHE A 53 -4.662 2.609 -3.581 1.00 1.27 C ATOM 849 CZ PHE A 53 -5.719 3.488 -3.654 1.00 0.37 C ATOM 0 H PHE A 53 -1.767 3.450 -6.847 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.417 6.205 -6.157 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -1.101 3.895 -4.660 1.00 0.25 H new ATOM 0 HB3 PHE A 53 -1.399 5.468 -3.947 1.00 0.25 H new ATOM 0 HD1 PHE A 53 -4.064 6.227 -4.712 1.00 1.13 H new ATOM 0 HD2 PHE A 53 -2.575 2.328 -3.855 1.00 1.24 H new ATOM 0 HE1 PHE A 53 -6.331 5.486 -4.114 1.00 1.13 H new ATOM 0 HE2 PHE A 53 -4.828 1.591 -3.262 1.00 1.27 H new ATOM 0 HZ PHE A 53 -6.715 3.159 -3.395 1.00 0.37 H new ATOM 859 N GLY A 54 0.413 5.652 -7.361 1.00 0.27 N ATOM 860 CA GLY A 54 1.718 6.232 -7.681 1.00 0.32 C ATOM 861 C GLY A 54 2.785 5.959 -6.626 1.00 0.28 C ATOM 862 O GLY A 54 3.558 6.851 -6.276 1.00 0.32 O ATOM 0 H GLY A 54 0.106 4.923 -8.005 1.00 0.27 H new ATOM 0 HA2 GLY A 54 2.057 5.836 -8.639 1.00 0.32 H new ATOM 0 HA3 GLY A 54 1.607 7.309 -7.803 1.00 0.32 H new ATOM 866 N ALA A 55 2.835 4.719 -6.128 1.00 0.25 N ATOM 867 CA ALA A 55 3.821 4.324 -5.117 1.00 0.24 C ATOM 868 C ALA A 55 5.229 4.252 -5.713 1.00 0.25 C ATOM 869 O ALA A 55 5.403 3.905 -6.886 1.00 0.43 O ATOM 870 CB ALA A 55 3.432 2.990 -4.499 1.00 0.30 C ATOM 0 H ALA A 55 2.202 3.970 -6.410 1.00 0.25 H new ATOM 0 HA ALA A 55 3.831 5.084 -4.336 1.00 0.24 H new ATOM 0 HB1 ALA A 55 4.171 2.707 -3.750 1.00 0.30 H new ATOM 0 HB2 ALA A 55 2.453 3.079 -4.028 1.00 0.30 H new ATOM 0 HB3 ALA A 55 3.392 2.227 -5.276 1.00 0.30 H new ATOM 876 N VAL A 56 6.225 4.583 -4.897 1.00 0.22 N ATOM 877 CA VAL A 56 7.621 4.603 -5.330 1.00 0.26 C ATOM 878 C VAL A 56 8.513 3.774 -4.400 1.00 0.26 C ATOM 879 O VAL A 56 8.247 3.666 -3.203 1.00 0.39 O ATOM 880 CB VAL A 56 8.150 6.061 -5.396 1.00 0.34 C ATOM 881 CG1 VAL A 56 7.337 6.878 -6.395 1.00 0.55 C ATOM 882 CG2 VAL A 56 8.114 6.737 -4.027 1.00 0.44 C ATOM 0 H VAL A 56 6.090 4.844 -3.920 1.00 0.22 H new ATOM 0 HA VAL A 56 7.658 4.159 -6.325 1.00 0.26 H new ATOM 0 HB VAL A 56 9.188 6.016 -5.725 1.00 0.34 H new ATOM 0 HG11 VAL A 56 7.721 7.898 -6.429 1.00 0.55 H new ATOM 0 HG12 VAL A 56 7.417 6.427 -7.384 1.00 0.55 H new ATOM 0 HG13 VAL A 56 6.292 6.894 -6.087 1.00 0.55 H new ATOM 0 HG21 VAL A 56 8.492 7.756 -4.114 1.00 0.44 H new ATOM 0 HG22 VAL A 56 7.088 6.761 -3.660 1.00 0.44 H new ATOM 0 HG23 VAL A 56 8.736 6.178 -3.329 1.00 0.44 H new ATOM 892 N ARG A 57 9.576 3.197 -4.959 1.00 0.39 N ATOM 893 CA ARG A 57 10.554 2.443 -4.176 1.00 0.41 C ATOM 894 C ARG A 57 11.628 3.406 -3.675 1.00 0.46 C ATOM 895 O ARG A 57 12.347 4.006 -4.478 1.00 0.58 O ATOM 896 CB ARG A 57 11.182 1.326 -5.025 1.00 0.48 C ATOM 897 CG ARG A 57 10.184 0.273 -5.487 1.00 0.65 C ATOM 898 CD ARG A 57 10.872 -0.875 -6.211 1.00 0.87 C ATOM 899 NE ARG A 57 11.775 -1.632 -5.327 1.00 0.83 N ATOM 900 CZ ARG A 57 12.968 -2.120 -5.690 1.00 1.10 C ATOM 901 NH1 ARG A 57 13.434 -1.928 -6.915 1.00 1.87 N ATOM 902 NH2 ARG A 57 13.698 -2.795 -4.812 1.00 1.34 N ATOM 0 H ARG A 57 9.782 3.238 -5.957 1.00 0.39 H new ATOM 0 HA ARG A 57 10.058 1.974 -3.326 1.00 0.41 H new ATOM 0 HB2 ARG A 57 11.658 1.770 -5.899 1.00 0.48 H new ATOM 0 HB3 ARG A 57 11.968 0.840 -4.446 1.00 0.48 H new ATOM 0 HG2 ARG A 57 9.639 -0.114 -4.626 1.00 0.65 H new ATOM 0 HG3 ARG A 57 9.450 0.733 -6.149 1.00 0.65 H new ATOM 0 HD2 ARG A 57 10.118 -1.548 -6.619 1.00 0.87 H new ATOM 0 HD3 ARG A 57 11.439 -0.482 -7.055 1.00 0.87 H new ATOM 0 HE ARG A 57 11.469 -1.797 -4.368 1.00 0.83 H new ATOM 0 HH11 ARG A 57 12.883 -1.403 -7.594 1.00 1.87 H new ATOM 0 HH12 ARG A 57 14.344 -2.305 -7.179 1.00 1.87 H new ATOM 0 HH21 ARG A 57 13.350 -2.941 -3.864 1.00 1.34 H new ATOM 0 HH22 ARG A 57 14.607 -3.168 -5.085 1.00 1.34 H new ATOM 916 N THR A 58 11.664 3.627 -2.365 1.00 0.44 N ATOM 917 CA THR A 58 12.587 4.599 -1.769 1.00 0.54 C ATOM 918 C THR A 58 13.169 4.090 -0.449 1.00 0.50 C ATOM 919 O THR A 58 12.740 3.068 0.091 1.00 0.44 O ATOM 920 CB THR A 58 11.862 5.948 -1.550 1.00 0.69 C ATOM 921 OG1 THR A 58 10.499 5.749 -1.176 1.00 1.32 O ATOM 922 CG2 THR A 58 11.873 6.844 -2.774 1.00 1.17 C ATOM 0 H THR A 58 11.066 3.148 -1.692 1.00 0.44 H new ATOM 0 HA THR A 58 13.417 4.742 -2.461 1.00 0.54 H new ATOM 0 HB THR A 58 12.419 6.438 -0.751 1.00 0.69 H new ATOM 0 HG1 THR A 58 10.066 6.618 -1.043 1.00 1.32 H new ATOM 0 HG21 THR A 58 11.348 7.772 -2.550 1.00 1.17 H new ATOM 0 HG22 THR A 58 12.903 7.068 -3.052 1.00 1.17 H new ATOM 0 HG23 THR A 58 11.376 6.336 -3.601 1.00 1.17 H new ATOM 930 N ARG A 59 14.161 4.824 0.060 1.00 0.59 N ATOM 931 CA ARG A 59 14.805 4.504 1.332 1.00 0.63 C ATOM 932 C ARG A 59 13.952 5.004 2.500 1.00 0.69 C ATOM 933 O ARG A 59 13.477 6.143 2.485 1.00 0.83 O ATOM 934 CB ARG A 59 16.209 5.143 1.400 1.00 0.78 C ATOM 935 CG ARG A 59 17.349 4.142 1.302 1.00 1.38 C ATOM 936 CD ARG A 59 18.653 4.726 1.836 1.00 1.32 C ATOM 937 NE ARG A 59 19.801 3.870 1.538 1.00 1.45 N ATOM 938 CZ ARG A 59 21.043 4.120 1.960 1.00 1.72 C ATOM 939 NH1 ARG A 59 21.273 5.182 2.721 1.00 2.35 N ATOM 940 NH2 ARG A 59 22.037 3.299 1.647 1.00 2.08 N ATOM 0 H ARG A 59 14.538 5.654 -0.398 1.00 0.59 H new ATOM 0 HA ARG A 59 14.905 3.421 1.403 1.00 0.63 H new ATOM 0 HB2 ARG A 59 16.306 5.869 0.593 1.00 0.78 H new ATOM 0 HB3 ARG A 59 16.302 5.693 2.336 1.00 0.78 H new ATOM 0 HG2 ARG A 59 17.095 3.243 1.864 1.00 1.38 H new ATOM 0 HG3 ARG A 59 17.482 3.841 0.263 1.00 1.38 H new ATOM 0 HD2 ARG A 59 18.814 5.712 1.400 1.00 1.32 H new ATOM 0 HD3 ARG A 59 18.574 4.863 2.914 1.00 1.32 H new ATOM 0 HE ARG A 59 19.644 3.034 0.975 1.00 1.45 H new ATOM 0 HH11 ARG A 59 20.504 5.800 2.980 1.00 2.35 H new ATOM 0 HH12 ARG A 59 22.219 5.380 3.048 1.00 2.35 H new ATOM 0 HH21 ARG A 59 21.855 2.471 1.080 1.00 2.08 H new ATOM 0 HH22 ARG A 59 22.983 3.496 1.973 1.00 2.08 H new ATOM 954 N ASN A 60 13.783 4.166 3.520 1.00 0.68 N ATOM 955 CA ASN A 60 13.015 4.540 4.714 1.00 0.81 C ATOM 956 C ASN A 60 13.912 5.268 5.729 1.00 0.95 C ATOM 957 O ASN A 60 14.902 5.904 5.353 1.00 1.04 O ATOM 958 CB ASN A 60 12.336 3.295 5.335 1.00 0.82 C ATOM 959 CG ASN A 60 13.297 2.309 5.990 1.00 0.78 C ATOM 960 OD1 ASN A 60 14.509 2.387 5.804 1.00 1.00 O ATOM 961 ND2 ASN A 60 12.758 1.385 6.772 1.00 0.83 N ATOM 0 H ASN A 60 14.167 3.221 3.547 1.00 0.68 H new ATOM 0 HA ASN A 60 12.226 5.232 4.421 1.00 0.81 H new ATOM 0 HB2 ASN A 60 11.612 3.626 6.080 1.00 0.82 H new ATOM 0 HB3 ASN A 60 11.778 2.775 4.556 1.00 0.82 H new ATOM 0 HD21 ASN A 60 13.354 0.706 7.245 1.00 0.83 H new ATOM 0 HD22 ASN A 60 11.747 1.353 6.901 1.00 0.83 H new ATOM 968 N ALA A 61 13.561 5.164 7.010 1.00 1.04 N ATOM 969 CA ALA A 61 14.329 5.802 8.082 1.00 1.20 C ATOM 970 C ALA A 61 15.650 5.069 8.361 1.00 1.20 C ATOM 971 O ALA A 61 16.592 5.672 8.875 1.00 1.38 O ATOM 972 CB ALA A 61 13.492 5.887 9.356 1.00 1.32 C ATOM 0 H ALA A 61 12.746 4.642 7.333 1.00 1.04 H new ATOM 0 HA ALA A 61 14.579 6.809 7.748 1.00 1.20 H new ATOM 0 HB1 ALA A 61 14.076 6.363 10.144 1.00 1.32 H new ATOM 0 HB2 ALA A 61 12.595 6.475 9.163 1.00 1.32 H new ATOM 0 HB3 ALA A 61 13.207 4.883 9.672 1.00 1.32 H new ATOM 978 N LYS A 62 15.706 3.764 8.049 1.00 1.07 N ATOM 979 CA LYS A 62 16.914 2.957 8.277 1.00 1.12 C ATOM 980 C LYS A 62 17.402 2.269 6.998 1.00 1.01 C ATOM 981 O LYS A 62 17.631 1.056 6.981 1.00 1.02 O ATOM 982 CB LYS A 62 16.673 1.907 9.368 1.00 1.21 C ATOM 983 CG LYS A 62 16.274 2.492 10.722 1.00 1.40 C ATOM 984 CD LYS A 62 17.452 3.173 11.422 1.00 2.00 C ATOM 985 CE LYS A 62 17.033 4.460 12.123 1.00 2.34 C ATOM 986 NZ LYS A 62 15.911 4.234 13.071 1.00 2.62 N ATOM 0 H LYS A 62 14.929 3.246 7.638 1.00 1.07 H new ATOM 0 HA LYS A 62 17.692 3.646 8.605 1.00 1.12 H new ATOM 0 HB2 LYS A 62 15.891 1.225 9.034 1.00 1.21 H new ATOM 0 HB3 LYS A 62 17.579 1.315 9.493 1.00 1.21 H new ATOM 0 HG2 LYS A 62 15.469 3.214 10.582 1.00 1.40 H new ATOM 0 HG3 LYS A 62 15.883 1.698 11.359 1.00 1.40 H new ATOM 0 HD2 LYS A 62 17.886 2.488 12.150 1.00 2.00 H new ATOM 0 HD3 LYS A 62 18.229 3.395 10.691 1.00 2.00 H new ATOM 0 HE2 LYS A 62 17.885 4.874 12.661 1.00 2.34 H new ATOM 0 HE3 LYS A 62 16.736 5.199 11.379 1.00 2.34 H new ATOM 0 HZ1 LYS A 62 15.778 5.081 13.660 1.00 2.62 H new ATOM 0 HZ2 LYS A 62 15.039 4.043 12.538 1.00 2.62 H new ATOM 0 HZ3 LYS A 62 16.130 3.420 13.680 1.00 2.62 H new ATOM 1000 N MET A 63 17.620 3.073 5.959 1.00 0.97 N ATOM 1001 CA MET A 63 18.165 2.625 4.664 1.00 0.94 C ATOM 1002 C MET A 63 17.619 1.287 4.144 1.00 0.80 C ATOM 1003 O MET A 63 18.390 0.419 3.724 1.00 0.86 O ATOM 1004 CB MET A 63 19.706 2.573 4.705 1.00 1.12 C ATOM 1005 CG MET A 63 20.294 1.755 5.851 1.00 1.30 C ATOM 1006 SD MET A 63 22.086 1.614 5.743 1.00 2.18 S ATOM 1007 CE MET A 63 22.597 3.139 6.529 1.00 3.12 C ATOM 0 H MET A 63 17.422 4.073 5.987 1.00 0.97 H new ATOM 0 HA MET A 63 17.822 3.378 3.955 1.00 0.94 H new ATOM 0 HB2 MET A 63 20.066 2.160 3.762 1.00 1.12 H new ATOM 0 HB3 MET A 63 20.087 3.592 4.773 1.00 1.12 H new ATOM 0 HG2 MET A 63 20.025 2.218 6.800 1.00 1.30 H new ATOM 0 HG3 MET A 63 19.853 0.758 5.847 1.00 1.30 H new ATOM 0 HE1 MET A 63 23.685 3.197 6.538 1.00 3.12 H new ATOM 0 HE2 MET A 63 22.193 3.987 5.975 1.00 3.12 H new ATOM 0 HE3 MET A 63 22.224 3.163 7.553 1.00 3.12 H new ATOM 1017 N GLU A 64 16.299 1.158 4.078 1.00 0.73 N ATOM 1018 CA GLU A 64 15.670 -0.031 3.501 1.00 0.64 C ATOM 1019 C GLU A 64 14.905 0.354 2.235 1.00 0.52 C ATOM 1020 O GLU A 64 14.074 1.264 2.266 1.00 0.49 O ATOM 1021 CB GLU A 64 14.708 -0.705 4.495 1.00 0.70 C ATOM 1022 CG GLU A 64 15.366 -1.167 5.790 1.00 0.88 C ATOM 1023 CD GLU A 64 14.601 -2.289 6.465 1.00 1.35 C ATOM 1024 OE1 GLU A 64 14.616 -3.418 5.934 1.00 2.03 O ATOM 1025 OE2 GLU A 64 13.973 -2.039 7.514 1.00 1.79 O ATOM 0 H GLU A 64 15.641 1.860 4.416 1.00 0.73 H new ATOM 0 HA GLU A 64 16.460 -0.742 3.260 1.00 0.64 H new ATOM 0 HB2 GLU A 64 13.907 -0.007 4.737 1.00 0.70 H new ATOM 0 HB3 GLU A 64 14.246 -1.564 4.009 1.00 0.70 H new ATOM 0 HG2 GLU A 64 16.382 -1.501 5.578 1.00 0.88 H new ATOM 0 HG3 GLU A 64 15.444 -0.323 6.475 1.00 0.88 H new ATOM 1032 N MET A 65 15.200 -0.325 1.123 1.00 0.52 N ATOM 1033 CA MET A 65 14.506 -0.078 -0.148 1.00 0.48 C ATOM 1034 C MET A 65 13.072 -0.607 -0.064 1.00 0.43 C ATOM 1035 O MET A 65 12.837 -1.806 -0.241 1.00 0.62 O ATOM 1036 CB MET A 65 15.257 -0.750 -1.313 1.00 0.58 C ATOM 1037 CG MET A 65 16.446 0.050 -1.829 1.00 0.71 C ATOM 1038 SD MET A 65 16.000 1.155 -3.183 1.00 1.38 S ATOM 1039 CE MET A 65 16.256 2.759 -2.425 1.00 1.18 C ATOM 0 H MET A 65 15.915 -1.051 1.075 1.00 0.52 H new ATOM 0 HA MET A 65 14.480 0.996 -0.333 1.00 0.48 H new ATOM 0 HB2 MET A 65 15.605 -1.731 -0.989 1.00 0.58 H new ATOM 0 HB3 MET A 65 14.559 -0.915 -2.134 1.00 0.58 H new ATOM 0 HG2 MET A 65 16.869 0.634 -1.012 1.00 0.71 H new ATOM 0 HG3 MET A 65 17.223 -0.636 -2.165 1.00 0.71 H new ATOM 0 HE1 MET A 65 16.020 3.543 -3.144 1.00 1.18 H new ATOM 0 HE2 MET A 65 15.608 2.858 -1.554 1.00 1.18 H new ATOM 0 HE3 MET A 65 17.297 2.853 -2.115 1.00 1.18 H new ATOM 1049 N VAL A 66 12.131 0.277 0.273 1.00 0.32 N ATOM 1050 CA VAL A 66 10.732 -0.111 0.456 1.00 0.28 C ATOM 1051 C VAL A 66 9.767 0.795 -0.309 1.00 0.25 C ATOM 1052 O VAL A 66 10.118 1.896 -0.742 1.00 0.30 O ATOM 1053 CB VAL A 66 10.346 -0.131 1.962 1.00 0.29 C ATOM 1054 CG1 VAL A 66 11.128 -1.213 2.702 1.00 0.32 C ATOM 1055 CG2 VAL A 66 10.567 1.234 2.613 1.00 0.31 C ATOM 0 H VAL A 66 12.314 1.269 0.425 1.00 0.32 H new ATOM 0 HA VAL A 66 10.641 -1.117 0.047 1.00 0.28 H new ATOM 0 HB VAL A 66 9.283 -0.362 2.030 1.00 0.29 H new ATOM 0 HG11 VAL A 66 10.844 -1.212 3.754 1.00 0.32 H new ATOM 0 HG12 VAL A 66 10.903 -2.187 2.267 1.00 0.32 H new ATOM 0 HG13 VAL A 66 12.196 -1.015 2.614 1.00 0.32 H new ATOM 0 HG21 VAL A 66 10.287 1.185 3.665 1.00 0.31 H new ATOM 0 HG22 VAL A 66 11.618 1.511 2.529 1.00 0.31 H new ATOM 0 HG23 VAL A 66 9.954 1.981 2.109 1.00 0.31 H new ATOM 1065 N TYR A 67 8.542 0.298 -0.467 1.00 0.23 N ATOM 1066 CA TYR A 67 7.472 1.019 -1.145 1.00 0.22 C ATOM 1067 C TYR A 67 6.930 2.141 -0.258 1.00 0.23 C ATOM 1068 O TYR A 67 6.475 1.892 0.859 1.00 0.36 O ATOM 1069 CB TYR A 67 6.316 0.065 -1.494 1.00 0.22 C ATOM 1070 CG TYR A 67 6.515 -0.760 -2.749 1.00 0.20 C ATOM 1071 CD1 TYR A 67 6.955 -0.173 -3.931 1.00 1.16 C ATOM 1072 CD2 TYR A 67 6.176 -2.107 -2.773 1.00 1.15 C ATOM 1073 CE1 TYR A 67 7.100 -0.915 -5.084 1.00 1.13 C ATOM 1074 CE2 TYR A 67 6.315 -2.858 -3.922 1.00 1.19 C ATOM 1075 CZ TYR A 67 6.778 -2.258 -5.079 1.00 0.26 C ATOM 1076 OH TYR A 67 6.921 -3.005 -6.225 1.00 0.32 O ATOM 0 H TYR A 67 8.264 -0.622 -0.125 1.00 0.23 H new ATOM 0 HA TYR A 67 7.887 1.444 -2.059 1.00 0.22 H new ATOM 0 HB2 TYR A 67 6.160 -0.612 -0.655 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.404 0.651 -1.605 1.00 0.22 H new ATOM 0 HD1 TYR A 67 7.187 0.882 -3.946 1.00 1.16 H new ATOM 0 HD2 TYR A 67 5.797 -2.575 -1.876 1.00 1.15 H new ATOM 0 HE1 TYR A 67 7.464 -0.448 -5.987 1.00 1.13 H new ATOM 0 HE2 TYR A 67 6.064 -3.908 -3.918 1.00 1.19 H new ATOM 0 HH TYR A 67 6.652 -3.930 -6.048 1.00 0.32 H new ATOM 1086 N CYS A 68 6.951 3.356 -0.786 1.00 0.17 N ATOM 1087 CA CYS A 68 6.406 4.527 -0.102 1.00 0.17 C ATOM 1088 C CYS A 68 5.514 5.311 -1.055 1.00 0.20 C ATOM 1089 O CYS A 68 5.428 4.999 -2.245 1.00 0.27 O ATOM 1090 CB CYS A 68 7.536 5.422 0.434 1.00 0.16 C ATOM 1091 SG CYS A 68 7.005 6.695 1.604 1.00 1.61 S ATOM 0 H CYS A 68 7.347 3.562 -1.703 1.00 0.17 H new ATOM 0 HA CYS A 68 5.811 4.190 0.747 1.00 0.17 H new ATOM 0 HB2 CYS A 68 8.281 4.791 0.919 1.00 0.16 H new ATOM 0 HB3 CYS A 68 8.028 5.906 -0.410 1.00 0.16 H new ATOM 0 HG CYS A 68 8.036 7.386 1.991 1.00 1.61 H new ATOM 1097 N LEU A 69 4.839 6.318 -0.523 1.00 0.21 N ATOM 1098 CA LEU A 69 3.934 7.146 -1.321 1.00 0.25 C ATOM 1099 C LEU A 69 4.432 8.593 -1.388 1.00 0.30 C ATOM 1100 O LEU A 69 4.911 9.126 -0.387 1.00 0.41 O ATOM 1101 CB LEU A 69 2.518 7.105 -0.716 1.00 0.36 C ATOM 1102 CG LEU A 69 1.377 7.002 -1.732 1.00 0.48 C ATOM 1103 CD1 LEU A 69 1.514 5.736 -2.570 1.00 0.61 C ATOM 1104 CD2 LEU A 69 0.028 7.034 -1.026 1.00 0.94 C ATOM 0 H LEU A 69 4.898 6.586 0.459 1.00 0.21 H new ATOM 0 HA LEU A 69 3.906 6.747 -2.335 1.00 0.25 H new ATOM 0 HB2 LEU A 69 2.455 6.255 -0.036 1.00 0.36 H new ATOM 0 HB3 LEU A 69 2.370 8.004 -0.117 1.00 0.36 H new ATOM 0 HG LEU A 69 1.436 7.861 -2.400 1.00 0.48 H new ATOM 0 HD11 LEU A 69 0.693 5.683 -3.285 1.00 0.61 H new ATOM 0 HD12 LEU A 69 2.462 5.756 -3.107 1.00 0.61 H new ATOM 0 HD13 LEU A 69 1.484 4.863 -1.918 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -0.771 6.960 -1.764 1.00 0.94 H new ATOM 0 HD22 LEU A 69 -0.040 6.196 -0.332 1.00 0.94 H new ATOM 0 HD23 LEU A 69 -0.072 7.969 -0.476 1.00 0.94 H new ATOM 1116 N PRO A 70 4.283 9.268 -2.563 1.00 0.37 N ATOM 1117 CA PRO A 70 4.637 10.697 -2.729 1.00 0.51 C ATOM 1118 C PRO A 70 3.772 11.610 -1.840 1.00 0.71 C ATOM 1119 O PRO A 70 3.464 11.282 -0.689 1.00 1.00 O ATOM 1120 CB PRO A 70 4.371 10.959 -4.235 1.00 0.70 C ATOM 1121 CG PRO A 70 4.310 9.610 -4.862 1.00 0.64 C ATOM 1122 CD PRO A 70 3.726 8.711 -3.816 1.00 0.41 C ATOM 0 HA PRO A 70 5.664 10.911 -2.432 1.00 0.51 H new ATOM 0 HB2 PRO A 70 3.438 11.503 -4.381 1.00 0.70 H new ATOM 0 HB3 PRO A 70 5.165 11.562 -4.676 1.00 0.70 H new ATOM 0 HG2 PRO A 70 3.692 9.622 -5.760 1.00 0.64 H new ATOM 0 HG3 PRO A 70 5.302 9.271 -5.162 1.00 0.64 H new ATOM 0 HD2 PRO A 70 2.636 8.737 -3.822 1.00 0.41 H new ATOM 0 HD3 PRO A 70 4.021 7.672 -3.964 1.00 0.41 H new ATOM 1130 N ALA A 71 3.363 12.738 -2.392 1.00 0.96 N ATOM 1131 CA ALA A 71 2.458 13.672 -1.706 1.00 1.23 C ATOM 1132 C ALA A 71 1.051 13.055 -1.563 1.00 1.34 C ATOM 1133 O ALA A 71 0.876 11.840 -1.703 1.00 1.89 O ATOM 1134 CB ALA A 71 2.401 14.996 -2.471 1.00 1.66 C ATOM 0 H ALA A 71 3.642 13.041 -3.325 1.00 0.96 H new ATOM 0 HA ALA A 71 2.841 13.867 -0.704 1.00 1.23 H new ATOM 0 HB1 ALA A 71 1.729 15.684 -1.958 1.00 1.66 H new ATOM 0 HB2 ALA A 71 3.399 15.432 -2.519 1.00 1.66 H new ATOM 0 HB3 ALA A 71 2.034 14.817 -3.482 1.00 1.66 H new ATOM 1140 N GLU A 72 0.045 13.892 -1.297 1.00 1.48 N ATOM 1141 CA GLU A 72 -1.341 13.416 -1.159 1.00 1.76 C ATOM 1142 C GLU A 72 -1.903 12.968 -2.517 1.00 1.89 C ATOM 1143 O GLU A 72 -2.627 13.716 -3.179 1.00 2.17 O ATOM 1144 CB GLU A 72 -2.229 14.510 -0.546 1.00 2.19 C ATOM 1145 CG GLU A 72 -2.031 14.689 0.954 1.00 2.59 C ATOM 1146 CD GLU A 72 -2.572 16.009 1.454 1.00 3.17 C ATOM 1147 OE1 GLU A 72 -3.639 16.435 0.968 1.00 3.75 O ATOM 1148 OE2 GLU A 72 -1.910 16.646 2.295 1.00 3.59 O ATOM 0 H GLU A 72 0.159 14.898 -1.173 1.00 1.48 H new ATOM 0 HA GLU A 72 -1.339 12.556 -0.490 1.00 1.76 H new ATOM 0 HB2 GLU A 72 -2.023 15.456 -1.046 1.00 2.19 H new ATOM 0 HB3 GLU A 72 -3.274 14.268 -0.740 1.00 2.19 H new ATOM 0 HG2 GLU A 72 -2.525 13.874 1.483 1.00 2.59 H new ATOM 0 HG3 GLU A 72 -0.968 14.623 1.188 1.00 2.59 H new ATOM 1155 N LEU A 73 -1.540 11.749 -2.926 1.00 2.03 N ATOM 1156 CA LEU A 73 -1.950 11.183 -4.209 1.00 2.45 C ATOM 1157 C LEU A 73 -2.969 10.058 -4.006 1.00 3.07 C ATOM 1158 O LEU A 73 -2.623 8.939 -3.609 1.00 3.39 O ATOM 1159 CB LEU A 73 -0.717 10.671 -4.990 1.00 2.45 C ATOM 1160 CG LEU A 73 -0.684 11.059 -6.472 1.00 2.84 C ATOM 1161 CD1 LEU A 73 0.644 10.658 -7.097 1.00 3.20 C ATOM 1162 CD2 LEU A 73 -1.852 10.428 -7.222 1.00 3.46 C ATOM 0 H LEU A 73 -0.951 11.127 -2.373 1.00 2.03 H new ATOM 0 HA LEU A 73 -2.428 11.968 -4.795 1.00 2.45 H new ATOM 0 HB2 LEU A 73 0.184 11.053 -4.509 1.00 2.45 H new ATOM 0 HB3 LEU A 73 -0.682 9.584 -4.913 1.00 2.45 H new ATOM 0 HG LEU A 73 -0.783 12.142 -6.547 1.00 2.84 H new ATOM 0 HD11 LEU A 73 0.651 10.941 -8.150 1.00 3.20 H new ATOM 0 HD12 LEU A 73 1.458 11.166 -6.580 1.00 3.20 H new ATOM 0 HD13 LEU A 73 0.776 9.580 -7.010 1.00 3.20 H new ATOM 0 HD21 LEU A 73 -1.809 10.717 -8.272 1.00 3.46 H new ATOM 0 HD22 LEU A 73 -1.792 9.343 -7.141 1.00 3.46 H new ATOM 0 HD23 LEU A 73 -2.791 10.773 -6.789 1.00 3.46 H new ATOM 1174 N GLY A 74 -4.229 10.387 -4.248 1.00 3.54 N ATOM 1175 CA GLY A 74 -5.321 9.431 -4.142 1.00 4.27 C ATOM 1176 C GLY A 74 -6.123 9.387 -5.427 1.00 4.79 C ATOM 1177 O GLY A 74 -6.211 8.345 -6.078 1.00 5.47 O ATOM 0 H GLY A 74 -4.523 11.324 -4.523 1.00 3.54 H new ATOM 0 HA2 GLY A 74 -4.923 8.440 -3.922 1.00 4.27 H new ATOM 0 HA3 GLY A 74 -5.971 9.705 -3.311 1.00 4.27 H new ATOM 1181 N VAL A 75 -6.636 10.548 -5.831 1.00 4.77 N ATOM 1182 CA VAL A 75 -7.389 10.688 -7.076 1.00 5.51 C ATOM 1183 C VAL A 75 -7.410 12.168 -7.494 1.00 5.62 C ATOM 1184 O VAL A 75 -7.605 13.045 -6.648 1.00 5.34 O ATOM 1185 CB VAL A 75 -8.838 10.137 -6.938 1.00 5.98 C ATOM 1186 CG1 VAL A 75 -9.632 10.926 -5.905 1.00 6.16 C ATOM 1187 CG2 VAL A 75 -9.560 10.120 -8.282 1.00 6.50 C ATOM 0 H VAL A 75 -6.541 11.417 -5.305 1.00 4.77 H new ATOM 0 HA VAL A 75 -6.894 10.097 -7.847 1.00 5.51 H new ATOM 0 HB VAL A 75 -8.762 9.107 -6.589 1.00 5.98 H new ATOM 0 HG11 VAL A 75 -10.640 10.518 -5.831 1.00 6.16 H new ATOM 0 HG12 VAL A 75 -9.140 10.854 -4.935 1.00 6.16 H new ATOM 0 HG13 VAL A 75 -9.686 11.972 -6.208 1.00 6.16 H new ATOM 0 HG21 VAL A 75 -10.569 9.729 -8.148 1.00 6.50 H new ATOM 0 HG22 VAL A 75 -9.613 11.134 -8.679 1.00 6.50 H new ATOM 0 HG23 VAL A 75 -9.015 9.485 -8.980 1.00 6.50 H new ATOM 1197 N PRO A 76 -7.212 12.483 -8.800 1.00 6.42 N ATOM 1198 CA PRO A 76 -7.166 13.884 -9.282 1.00 6.97 C ATOM 1199 C PRO A 76 -8.483 14.664 -9.106 1.00 7.29 C ATOM 1200 O PRO A 76 -8.490 15.893 -9.192 1.00 7.83 O ATOM 1201 CB PRO A 76 -6.831 13.747 -10.780 1.00 7.90 C ATOM 1202 CG PRO A 76 -6.262 12.379 -10.935 1.00 8.03 C ATOM 1203 CD PRO A 76 -6.923 11.525 -9.889 1.00 7.16 C ATOM 0 HA PRO A 76 -6.441 14.457 -8.704 1.00 6.97 H new ATOM 0 HB2 PRO A 76 -7.722 13.874 -11.395 1.00 7.90 H new ATOM 0 HB3 PRO A 76 -6.116 14.508 -11.094 1.00 7.90 H new ATOM 0 HG2 PRO A 76 -6.455 11.989 -11.934 1.00 8.03 H new ATOM 0 HG3 PRO A 76 -5.180 12.390 -10.801 1.00 8.03 H new ATOM 0 HD2 PRO A 76 -7.833 11.059 -10.267 1.00 7.16 H new ATOM 0 HD3 PRO A 76 -6.268 10.721 -9.554 1.00 7.16 H new ATOM 1211 N THR A 77 -9.591 13.953 -8.895 1.00 7.25 N ATOM 1212 CA THR A 77 -10.906 14.585 -8.759 1.00 7.86 C ATOM 1213 C THR A 77 -11.783 13.828 -7.747 1.00 8.48 C ATOM 1214 O THR A 77 -12.110 12.655 -7.946 1.00 8.73 O ATOM 1215 CB THR A 77 -11.591 14.669 -10.153 1.00 7.90 C ATOM 1216 OG1 THR A 77 -12.950 15.069 -10.039 1.00 8.72 O ATOM 1217 CG2 THR A 77 -11.564 13.375 -10.966 1.00 7.87 C ATOM 0 H THR A 77 -9.605 12.936 -8.814 1.00 7.25 H new ATOM 0 HA THR A 77 -10.774 15.596 -8.374 1.00 7.86 H new ATOM 0 HB THR A 77 -10.995 15.410 -10.685 1.00 7.90 H new ATOM 0 HG1 THR A 77 -13.354 15.114 -10.931 1.00 8.72 H new ATOM 0 HG21 THR A 77 -12.065 13.535 -11.921 1.00 7.87 H new ATOM 0 HG22 THR A 77 -10.530 13.079 -11.144 1.00 7.87 H new ATOM 0 HG23 THR A 77 -12.077 12.588 -10.414 1.00 7.87 H new ATOM 1225 N THR A 78 -12.149 14.517 -6.661 1.00 9.01 N ATOM 1226 CA THR A 78 -13.021 13.963 -5.621 1.00 9.88 C ATOM 1227 C THR A 78 -13.392 15.061 -4.613 1.00 10.40 C ATOM 1228 O THR A 78 -12.521 15.898 -4.294 1.00 10.57 O ATOM 1229 CB THR A 78 -12.362 12.760 -4.905 1.00 10.27 C ATOM 1230 OG1 THR A 78 -13.260 12.169 -3.975 1.00 10.30 O ATOM 1231 CG2 THR A 78 -11.083 13.103 -4.162 1.00 10.39 C ATOM 1232 OXT THR A 78 -14.556 15.097 -4.170 1.00 10.83 O ATOM 0 H THR A 78 -11.849 15.475 -6.479 1.00 9.01 H new ATOM 0 HA THR A 78 -13.929 13.595 -6.098 1.00 9.88 H new ATOM 0 HB THR A 78 -12.108 12.067 -5.707 1.00 10.27 H new ATOM 0 HG1 THR A 78 -12.823 11.410 -3.535 1.00 10.30 H new ATOM 0 HG21 THR A 78 -10.685 12.205 -3.688 1.00 10.39 H new ATOM 0 HG22 THR A 78 -10.349 13.498 -4.864 1.00 10.39 H new ATOM 0 HG23 THR A 78 -11.295 13.852 -3.399 1.00 10.39 H new TER 1240 THR A 78