USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -17:sc= 1.21 USER MOD Set 1.2: A 57 SER OG : rot -77:sc= 0.429 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -139:sc= 1.29 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 150:sc= 1.11 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.283 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0107) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.45 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.01) USER MOD Single : A 11 LYS NZ :NH3+ -114:sc= 1.22 (180deg=-0.967) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.302 USER MOD Single : A 25 ASN : amide:sc= -0.681 X(o=-0.68,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 2.43 (180deg=0.956) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= 1.23 K(o=1.2,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.417 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.769 -6.757 -5.185 1.00 9.67 N ATOM 2 CA MET A 1 11.716 -7.066 -3.683 1.00 10.38 C ATOM 3 C MET A 1 10.309 -7.437 -3.115 1.00 9.62 C ATOM 4 O MET A 1 9.277 -6.933 -3.526 1.00 9.62 O ATOM 5 CB MET A 1 12.247 -5.791 -2.922 1.00 13.77 C ATOM 6 CG MET A 1 11.357 -4.570 -2.731 1.00 16.29 C ATOM 7 SD MET A 1 12.092 -3.318 -1.680 1.00 17.17 S ATOM 8 CE MET A 1 10.666 -2.185 -1.523 1.00 16.11 C ATOM 0 H1 MET A 1 12.760 -6.741 -5.501 1.00 9.67 H new ATOM 0 H2 MET A 1 11.250 -7.490 -5.709 1.00 9.67 H new ATOM 0 H3 MET A 1 11.333 -5.830 -5.364 1.00 9.67 H new ATOM 0 HA MET A 1 12.326 -7.956 -3.530 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.560 -6.117 -1.930 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.143 -5.456 -3.445 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.136 -4.134 -3.705 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.407 -4.885 -2.300 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.967 -1.295 -0.971 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.320 -1.896 -2.515 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.859 -2.687 -0.989 1.00 16.11 H new ATOM 20 N GLN A 2 10.264 -8.329 -2.116 1.00 9.27 N ATOM 21 CA GLN A 2 9.008 -8.748 -1.485 1.00 9.07 C ATOM 22 C GLN A 2 8.572 -7.717 -0.407 1.00 8.72 C ATOM 23 O GLN A 2 9.413 -7.121 0.266 1.00 8.22 O ATOM 24 CB GLN A 2 9.162 -10.157 -0.908 1.00 14.46 C ATOM 25 CG GLN A 2 7.901 -10.857 -0.317 1.00 17.01 C ATOM 26 CD GLN A 2 8.024 -12.368 -0.182 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.435 -12.904 0.814 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.656 -13.083 -1.257 1.00 19.49 N ATOM 0 H GLN A 2 11.093 -8.777 -1.725 1.00 9.27 H new ATOM 0 HA GLN A 2 8.217 -8.781 -2.234 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.559 -10.797 -1.696 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.917 -10.114 -0.123 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.692 -10.433 0.665 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.044 -10.630 -0.951 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.310 -12.609 -2.091 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.722 -14.101 -1.240 1.00 19.49 H new ATOM 37 N ILE A 3 7.248 -7.453 -0.187 1.00 5.87 N ATOM 38 CA ILE A 3 6.649 -6.594 0.757 1.00 5.07 C ATOM 39 C ILE A 3 5.400 -7.390 1.114 1.00 4.01 C ATOM 40 O ILE A 3 4.990 -8.266 0.361 1.00 4.61 O ATOM 41 CB ILE A 3 6.384 -5.166 0.343 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.304 -5.105 -0.827 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.713 -4.450 -0.049 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.804 -3.665 -0.955 1.00 10.83 C ATOM 0 H ILE A 3 6.537 -7.913 -0.756 1.00 5.87 H new ATOM 0 HA ILE A 3 7.318 -6.376 1.589 1.00 5.07 H new ATOM 0 HB ILE A 3 5.965 -4.630 1.195 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.745 -5.437 -1.767 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.473 -5.776 -0.610 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.499 -3.423 -0.344 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.391 -4.449 0.804 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.178 -4.977 -0.882 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.063 -3.607 -1.753 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.350 -3.353 -0.015 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.642 -3.008 -1.189 1.00 10.83 H new ATOM 56 N PHE A 4 4.834 -7.106 2.308 1.00 4.55 N ATOM 57 CA PHE A 4 3.563 -7.697 2.674 1.00 4.68 C ATOM 58 C PHE A 4 2.570 -6.586 2.933 1.00 5.30 C ATOM 59 O PHE A 4 2.896 -5.527 3.374 1.00 5.58 O ATOM 60 CB PHE A 4 3.586 -8.386 4.147 1.00 4.83 C ATOM 61 CG PHE A 4 4.871 -9.178 4.233 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.088 -10.185 3.294 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.870 -8.950 5.229 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.169 -11.022 3.288 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.031 -9.782 5.257 1.00 10.61 C ATOM 66 CZ PHE A 4 7.061 -10.902 4.368 1.00 8.90 C ATOM 0 H PHE A 4 5.239 -6.484 3.008 1.00 4.55 H new ATOM 0 HA PHE A 4 3.334 -8.397 1.871 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.545 -7.629 4.930 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.721 -9.035 4.285 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.350 -10.313 2.516 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.749 -8.157 5.953 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.329 -11.738 2.495 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.854 -9.573 5.924 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.792 -11.680 4.532 1.00 8.90 H new ATOM 76 N VAL A 5 1.270 -6.820 2.684 1.00 4.44 N ATOM 77 CA VAL A 5 0.202 -5.932 3.012 1.00 3.87 C ATOM 78 C VAL A 5 -0.778 -6.632 3.983 1.00 4.93 C ATOM 79 O VAL A 5 -1.155 -7.767 3.769 1.00 6.84 O ATOM 80 CB VAL A 5 -0.636 -5.468 1.799 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.747 -4.372 2.159 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.333 -4.871 0.791 1.00 9.13 C ATOM 0 H VAL A 5 0.948 -7.675 2.230 1.00 4.44 H new ATOM 0 HA VAL A 5 0.684 -5.058 3.449 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.177 -6.332 1.413 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.293 -4.097 1.256 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.441 -4.784 2.891 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.264 -3.487 2.575 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.218 -4.529 -0.085 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.855 -4.028 1.243 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.058 -5.628 0.491 1.00 9.13 H new ATOM 92 N LYS A 6 -1.287 -5.959 5.014 1.00 6.04 N ATOM 93 CA LYS A 6 -2.390 -6.563 5.815 1.00 6.12 C ATOM 94 C LYS A 6 -3.724 -5.821 5.616 1.00 6.57 C ATOM 95 O LYS A 6 -3.842 -4.607 5.650 1.00 5.76 O ATOM 96 CB LYS A 6 -2.158 -6.406 7.323 1.00 7.45 C ATOM 97 CG LYS A 6 -2.642 -7.592 8.166 1.00 11.12 C ATOM 98 CD LYS A 6 -1.958 -8.924 7.879 1.00 14.54 C ATOM 99 CE LYS A 6 -1.333 -9.443 9.175 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.569 -10.764 8.949 1.00 20.55 N ATOM 0 H LYS A 6 -0.981 -5.035 5.318 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.416 -7.601 5.483 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.093 -6.260 7.501 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.664 -5.503 7.664 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.499 -7.349 9.219 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.714 -7.713 8.010 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.680 -9.644 7.493 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.192 -8.798 7.114 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.652 -8.693 9.577 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.114 -9.597 9.920 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.754 -11.412 9.741 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.889 -11.202 8.062 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.451 -10.570 8.891 1.00 20.55 H new ATOM 114 N THR A 7 -4.777 -6.591 5.411 1.00 7.41 N ATOM 115 CA THR A 7 -6.090 -6.041 5.212 1.00 7.48 C ATOM 116 C THR A 7 -6.776 -5.709 6.510 1.00 8.75 C ATOM 117 O THR A 7 -6.327 -5.992 7.657 1.00 8.58 O ATOM 118 CB THR A 7 -7.038 -6.663 4.135 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.811 -7.798 4.586 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.203 -7.015 2.823 1.00 9.17 C ATOM 0 H THR A 7 -4.739 -7.610 5.379 1.00 7.41 H new ATOM 0 HA THR A 7 -5.844 -5.114 4.695 1.00 7.48 H new ATOM 0 HB THR A 7 -7.784 -5.900 3.912 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.375 -8.122 3.853 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.867 -7.448 2.075 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.751 -6.107 2.425 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.420 -7.731 3.071 1.00 9.17 H new ATOM 128 N LEU A 8 -8.002 -5.065 6.359 1.00 9.84 N ATOM 129 CA LEU A 8 -8.900 -4.684 7.424 1.00 14.15 C ATOM 130 C LEU A 8 -9.687 -5.904 8.011 1.00 17.37 C ATOM 131 O LEU A 8 -10.240 -5.863 9.097 1.00 17.01 O ATOM 132 CB LEU A 8 -9.924 -3.537 7.027 1.00 16.63 C ATOM 133 CG LEU A 8 -9.311 -2.140 6.873 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.466 -1.154 6.747 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.461 -1.670 8.087 1.00 18.59 C ATOM 0 H LEU A 8 -8.362 -4.808 5.440 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.240 -4.282 8.193 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.405 -3.811 6.088 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.706 -3.492 7.785 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.649 -2.181 6.008 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.072 -0.144 6.635 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.067 -1.408 5.874 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.086 -1.204 7.642 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.067 -0.673 7.891 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.085 -1.645 8.980 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.634 -2.363 8.242 1.00 18.59 H new ATOM 147 N THR A 9 -9.745 -7.058 7.267 1.00 18.33 N ATOM 148 CA THR A 9 -10.243 -8.328 7.739 1.00 19.24 C ATOM 149 C THR A 9 -9.115 -9.197 8.122 1.00 19.48 C ATOM 150 O THR A 9 -9.337 -10.354 8.436 1.00 23.14 O ATOM 151 CB THR A 9 -11.193 -9.032 6.810 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.617 -9.333 5.559 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.369 -8.071 6.444 1.00 19.70 C ATOM 0 H THR A 9 -9.429 -7.095 6.298 1.00 18.33 H new ATOM 0 HA THR A 9 -10.853 -8.101 8.613 1.00 19.24 H new ATOM 0 HB THR A 9 -11.493 -9.939 7.335 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.277 -9.790 4.997 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.059 -8.580 5.771 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.897 -7.780 7.352 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.973 -7.182 5.954 1.00 19.70 H new ATOM 161 N GLY A 10 -7.886 -8.693 8.056 1.00 19.43 N ATOM 162 CA GLY A 10 -6.605 -9.410 8.314 1.00 18.74 C ATOM 163 C GLY A 10 -6.112 -10.327 7.304 1.00 17.62 C ATOM 164 O GLY A 10 -5.290 -11.212 7.580 1.00 19.74 O ATOM 0 H GLY A 10 -7.730 -7.716 7.808 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.833 -8.660 8.486 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.719 -9.969 9.243 1.00 18.74 H new ATOM 168 N LYS A 11 -6.510 -10.161 6.017 1.00 13.56 N ATOM 169 CA LYS A 11 -6.027 -11.002 4.909 1.00 11.91 C ATOM 170 C LYS A 11 -4.582 -10.593 4.611 1.00 10.18 C ATOM 171 O LYS A 11 -4.352 -9.379 4.277 1.00 9.10 O ATOM 172 CB LYS A 11 -6.867 -10.819 3.611 1.00 13.43 C ATOM 173 CG LYS A 11 -6.426 -11.696 2.459 1.00 16.69 C ATOM 174 CD LYS A 11 -7.302 -11.351 1.256 1.00 17.92 C ATOM 175 CE LYS A 11 -8.724 -11.806 1.482 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.555 -11.540 0.265 1.00 21.93 N ATOM 0 H LYS A 11 -7.172 -9.442 5.726 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.110 -12.046 5.210 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.912 -11.031 3.835 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.813 -9.776 3.300 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.374 -11.526 2.229 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.529 -12.750 2.718 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.283 -10.275 1.083 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.901 -11.826 0.360 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.739 -12.871 1.716 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.147 -11.285 2.341 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.275 -10.822 0.486 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.945 -11.194 -0.503 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -10.023 -12.419 -0.034 1.00 21.93 H new ATOM 190 N THR A 12 -3.637 -11.490 4.723 1.00 9.63 N ATOM 191 CA THR A 12 -2.196 -11.265 4.511 1.00 9.85 C ATOM 192 C THR A 12 -1.741 -11.346 3.048 1.00 11.66 C ATOM 193 O THR A 12 -1.727 -12.471 2.470 1.00 12.33 O ATOM 194 CB THR A 12 -1.267 -12.093 5.437 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.697 -12.009 6.779 1.00 10.91 O ATOM 196 CG2 THR A 12 0.260 -11.568 5.484 1.00 9.63 C ATOM 0 H THR A 12 -3.844 -12.456 4.978 1.00 9.63 H new ATOM 0 HA THR A 12 -2.080 -10.223 4.811 1.00 9.85 H new ATOM 0 HB THR A 12 -1.313 -13.098 5.018 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.462 -12.836 7.250 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.842 -12.201 6.154 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.689 -11.608 4.483 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.280 -10.541 5.847 1.00 9.63 H new ATOM 204 N ILE A 13 -1.381 -10.232 2.368 1.00 10.42 N ATOM 205 CA ILE A 13 -1.071 -10.122 0.999 1.00 11.84 C ATOM 206 C ILE A 13 0.378 -10.009 0.871 1.00 10.55 C ATOM 207 O ILE A 13 1.002 -9.301 1.622 1.00 11.92 O ATOM 208 CB ILE A 13 -1.892 -8.991 0.323 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.356 -9.350 0.518 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.458 -8.880 -1.134 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.365 -8.447 -0.167 1.00 16.46 C ATOM 0 H ILE A 13 -1.306 -9.332 2.842 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.370 -11.014 0.449 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.727 -8.005 0.757 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.509 -10.368 0.160 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.569 -9.352 1.587 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.026 -8.089 -1.624 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.395 -8.645 -1.180 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.643 -9.827 -1.642 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.374 -8.802 0.044 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.254 -7.429 0.205 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.194 -8.461 -1.243 1.00 16.46 H new ATOM 223 N THR A 14 0.952 -10.732 -0.100 1.00 9.39 N ATOM 224 CA THR A 14 2.407 -10.719 -0.374 1.00 9.63 C ATOM 225 C THR A 14 2.519 -10.304 -1.785 1.00 11.20 C ATOM 226 O THR A 14 1.952 -10.955 -2.688 1.00 11.63 O ATOM 227 CB THR A 14 3.135 -12.105 -0.250 1.00 10.38 C ATOM 228 OG1 THR A 14 2.865 -12.671 1.026 1.00 16.30 O ATOM 229 CG2 THR A 14 4.668 -12.037 -0.231 1.00 11.66 C ATOM 0 H THR A 14 0.425 -11.345 -0.722 1.00 9.39 H new ATOM 0 HA THR A 14 2.879 -10.070 0.363 1.00 9.63 H new ATOM 0 HB THR A 14 2.774 -12.657 -1.118 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.318 -13.537 1.102 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.076 -13.044 -0.143 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.023 -11.581 -1.155 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.995 -11.437 0.618 1.00 11.66 H new ATOM 237 N LEU A 15 3.222 -9.232 -2.090 1.00 8.29 N ATOM 238 CA LEU A 15 3.440 -8.579 -3.327 1.00 9.03 C ATOM 239 C LEU A 15 4.916 -8.505 -3.645 1.00 8.59 C ATOM 240 O LEU A 15 5.804 -8.568 -2.752 1.00 7.79 O ATOM 241 CB LEU A 15 2.938 -7.115 -3.360 1.00 11.08 C ATOM 242 CG LEU A 15 1.464 -7.079 -3.108 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.199 -5.544 -2.915 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.600 -7.638 -4.229 1.00 15.27 C ATOM 0 H LEU A 15 3.720 -8.741 -1.348 1.00 8.29 H new ATOM 0 HA LEU A 15 2.881 -9.177 -4.047 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.460 -6.525 -2.606 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.162 -6.666 -4.328 1.00 11.08 H new ATOM 0 HG LEU A 15 1.195 -7.713 -2.263 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.139 -5.379 -2.720 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.784 -5.177 -2.072 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.489 -5.008 -3.819 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.451 -7.566 -3.949 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.772 -7.066 -5.141 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.859 -8.683 -4.402 1.00 15.27 H new ATOM 256 N GLU A 16 5.229 -8.416 -4.955 1.00 11.04 N ATOM 257 CA GLU A 16 6.535 -8.119 -5.472 1.00 11.50 C ATOM 258 C GLU A 16 6.609 -6.773 -6.174 1.00 10.13 C ATOM 259 O GLU A 16 5.808 -6.435 -7.007 1.00 9.83 O ATOM 260 CB GLU A 16 6.932 -9.295 -6.372 1.00 17.22 C ATOM 261 CG GLU A 16 8.295 -9.408 -7.040 1.00 23.33 C ATOM 262 CD GLU A 16 9.411 -9.500 -6.073 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.161 -10.202 -5.067 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.487 -8.911 -6.302 1.00 28.90 O ATOM 0 H GLU A 16 4.536 -8.558 -5.690 1.00 11.04 H new ATOM 0 HA GLU A 16 7.249 -8.014 -4.655 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.805 -10.198 -5.774 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.192 -9.336 -7.171 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.306 -10.288 -7.683 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.450 -8.542 -7.683 1.00 23.33 H new ATOM 271 N VAL A 17 7.679 -5.962 -5.809 1.00 8.99 N ATOM 272 CA VAL A 17 7.723 -4.546 -6.090 1.00 8.85 C ATOM 273 C VAL A 17 9.141 -4.100 -6.215 1.00 8.04 C ATOM 274 O VAL A 17 10.064 -4.828 -5.847 1.00 8.99 O ATOM 275 CB VAL A 17 7.158 -3.648 -4.977 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.645 -3.608 -4.990 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.750 -3.967 -3.589 1.00 10.54 C ATOM 0 H VAL A 17 8.503 -6.310 -5.319 1.00 8.99 H new ATOM 0 HA VAL A 17 7.124 -4.440 -6.995 1.00 8.85 H new ATOM 0 HB VAL A 17 7.488 -2.633 -5.199 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.291 -2.962 -4.187 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.300 -3.219 -5.948 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.253 -4.615 -4.845 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.313 -3.301 -2.845 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.526 -5.001 -3.327 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.830 -3.825 -3.613 1.00 10.54 H new ATOM 287 N GLU A 18 9.430 -2.867 -6.684 1.00 7.29 N ATOM 288 CA GLU A 18 10.782 -2.354 -6.650 1.00 7.08 C ATOM 289 C GLU A 18 10.644 -1.042 -5.805 1.00 6.45 C ATOM 290 O GLU A 18 9.564 -0.467 -5.826 1.00 5.28 O ATOM 291 CB GLU A 18 11.193 -1.896 -8.016 1.00 10.28 C ATOM 292 CG GLU A 18 11.054 -3.091 -9.033 1.00 12.65 C ATOM 293 CD GLU A 18 11.521 -2.642 -10.380 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.942 -1.670 -10.929 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.485 -3.211 -10.959 1.00 14.33 O ATOM 0 H GLU A 18 8.742 -2.228 -7.083 1.00 7.29 H new ATOM 0 HA GLU A 18 11.487 -3.097 -6.277 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.570 -1.060 -8.334 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.222 -1.538 -7.997 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.644 -3.943 -8.695 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.017 -3.422 -9.085 1.00 12.65 H new ATOM 302 N PRO A 19 11.708 -0.538 -5.142 1.00 7.24 N ATOM 303 CA PRO A 19 11.624 0.641 -4.295 1.00 7.07 C ATOM 304 C PRO A 19 11.177 1.969 -4.910 1.00 6.65 C ATOM 305 O PRO A 19 10.650 2.842 -4.206 1.00 6.37 O ATOM 306 CB PRO A 19 13.106 0.815 -3.762 1.00 7.61 C ATOM 307 CG PRO A 19 13.642 -0.612 -3.781 1.00 8.16 C ATOM 308 CD PRO A 19 12.831 -1.363 -4.851 1.00 7.49 C ATOM 0 HA PRO A 19 10.836 0.453 -3.566 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.691 1.475 -4.402 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.128 1.242 -2.759 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.706 -0.625 -4.019 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.528 -1.083 -2.805 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.430 -1.536 -5.745 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.514 -2.340 -4.486 1.00 7.49 H new ATOM 316 N SER A 20 11.462 2.255 -6.225 1.00 6.80 N ATOM 317 CA SER A 20 10.913 3.427 -6.849 1.00 6.28 C ATOM 318 C SER A 20 9.546 3.154 -7.520 1.00 8.45 C ATOM 319 O SER A 20 9.069 4.075 -8.241 1.00 7.26 O ATOM 320 CB SER A 20 11.802 3.900 -7.924 1.00 8.57 C ATOM 321 OG SER A 20 13.067 4.274 -7.336 1.00 11.13 O ATOM 0 H SER A 20 12.056 1.684 -6.827 1.00 6.80 H new ATOM 0 HA SER A 20 10.801 4.161 -6.051 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.946 3.117 -8.669 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.356 4.751 -8.438 1.00 8.57 H new ATOM 0 HG SER A 20 13.673 4.590 -8.038 1.00 11.13 H new ATOM 327 N ASP A 21 8.853 2.012 -7.264 1.00 7.50 N ATOM 328 CA ASP A 21 7.401 1.941 -7.490 1.00 7.70 C ATOM 329 C ASP A 21 6.626 2.881 -6.567 1.00 7.08 C ATOM 330 O ASP A 21 6.770 2.868 -5.361 1.00 8.11 O ATOM 331 CB ASP A 21 6.901 0.524 -7.300 1.00 11.00 C ATOM 332 CG ASP A 21 7.307 -0.427 -8.458 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.051 0.015 -9.360 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.763 -1.549 -8.466 1.00 18.03 O ATOM 0 H ASP A 21 9.272 1.152 -6.910 1.00 7.50 H new ATOM 0 HA ASP A 21 7.227 2.258 -8.518 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.291 0.131 -6.361 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.815 0.537 -7.213 1.00 11.00 H new ATOM 339 N THR A 22 5.630 3.559 -7.165 1.00 5.37 N ATOM 340 CA THR A 22 4.744 4.399 -6.359 1.00 6.01 C ATOM 341 C THR A 22 3.768 3.694 -5.442 1.00 8.01 C ATOM 342 O THR A 22 3.483 2.542 -5.585 1.00 8.11 O ATOM 343 CB THR A 22 3.874 5.382 -7.289 1.00 8.92 C ATOM 344 OG1 THR A 22 3.106 4.676 -8.236 1.00 10.22 O ATOM 345 CG2 THR A 22 4.635 6.480 -7.911 1.00 9.65 C ATOM 0 H THR A 22 5.427 3.542 -8.164 1.00 5.37 H new ATOM 0 HA THR A 22 5.453 4.924 -5.719 1.00 6.01 H new ATOM 0 HB THR A 22 3.189 5.873 -6.598 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.718 5.306 -8.878 1.00 10.22 H new ATOM 0 HG21 THR A 22 3.965 7.089 -8.518 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.082 7.099 -7.133 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.421 6.066 -8.542 1.00 9.65 H new ATOM 353 N ILE A 23 3.195 4.465 -4.482 1.00 8.32 N ATOM 354 CA ILE A 23 2.114 3.988 -3.613 1.00 9.92 C ATOM 355 C ILE A 23 0.892 3.699 -4.480 1.00 10.01 C ATOM 356 O ILE A 23 0.269 2.658 -4.341 1.00 8.71 O ATOM 357 CB ILE A 23 1.885 5.055 -2.502 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.198 5.389 -1.634 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.761 4.771 -1.493 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.851 4.188 -1.047 1.00 12.30 C ATOM 0 H ILE A 23 3.475 5.428 -4.298 1.00 8.32 H new ATOM 0 HA ILE A 23 2.354 3.054 -3.104 1.00 9.92 H new ATOM 0 HB ILE A 23 1.588 5.903 -3.120 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.917 5.910 -2.266 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.926 6.073 -0.830 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.704 5.587 -0.773 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.189 4.685 -2.021 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.970 3.839 -0.969 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.728 4.493 -0.476 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.149 3.678 -0.388 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.155 3.512 -1.846 1.00 12.30 H new ATOM 372 N GLU A 24 0.594 4.433 -5.531 1.00 9.54 N ATOM 373 CA GLU A 24 -0.330 4.106 -6.589 1.00 11.81 C ATOM 374 C GLU A 24 -0.082 2.762 -7.344 1.00 11.14 C ATOM 375 O GLU A 24 -0.971 1.959 -7.615 1.00 10.62 O ATOM 376 CB GLU A 24 -0.288 5.280 -7.585 1.00 19.24 C ATOM 377 CG GLU A 24 -1.472 5.362 -8.656 1.00 27.76 C ATOM 378 CD GLU A 24 -1.513 6.577 -9.520 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.116 7.589 -9.039 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.945 6.593 -10.632 1.00 34.80 O ATOM 0 H GLU A 24 1.027 5.345 -5.676 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.303 3.955 -6.122 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.282 6.209 -7.015 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.657 5.232 -8.127 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.406 4.487 -9.303 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.419 5.293 -8.121 1.00 27.76 H new ATOM 387 N ASN A 25 1.239 2.428 -7.640 1.00 9.43 N ATOM 388 CA ASN A 25 1.727 1.148 -8.191 1.00 10.96 C ATOM 389 C ASN A 25 1.535 -0.010 -7.231 1.00 9.68 C ATOM 390 O ASN A 25 1.139 -1.063 -7.647 1.00 9.33 O ATOM 391 CB ASN A 25 3.198 1.210 -8.623 1.00 16.78 C ATOM 392 CG ASN A 25 3.470 2.079 -9.878 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.665 2.362 -10.120 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.463 2.447 -10.685 1.00 24.70 N ATOM 0 H ASN A 25 1.999 3.090 -7.484 1.00 9.43 H new ATOM 0 HA ASN A 25 1.115 0.973 -9.076 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.790 1.598 -7.794 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.548 0.196 -8.817 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.658 2.978 -11.534 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.503 2.195 -10.450 1.00 24.70 H new ATOM 401 N VAL A 26 1.857 0.246 -5.922 1.00 6.52 N ATOM 402 CA VAL A 26 1.486 -0.755 -4.877 1.00 5.53 C ATOM 403 C VAL A 26 -0.012 -0.922 -4.743 1.00 4.42 C ATOM 404 O VAL A 26 -0.533 -2.025 -4.777 1.00 3.40 O ATOM 405 CB VAL A 26 2.089 -0.539 -3.469 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.798 -1.700 -2.467 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.624 -0.489 -3.640 1.00 8.12 C ATOM 0 H VAL A 26 2.340 1.079 -5.585 1.00 6.52 H new ATOM 0 HA VAL A 26 1.944 -1.665 -5.266 1.00 5.53 H new ATOM 0 HB VAL A 26 1.644 0.370 -3.064 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.254 -1.472 -1.504 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.721 -1.811 -2.341 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.215 -2.629 -2.855 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.094 -0.337 -2.668 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.973 -1.428 -4.069 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.890 0.334 -4.304 1.00 8.12 H new ATOM 417 N LYS A 27 -0.766 0.206 -4.811 1.00 2.64 N ATOM 418 CA LYS A 27 -2.176 0.162 -4.699 1.00 4.14 C ATOM 419 C LYS A 27 -2.776 -0.580 -5.937 1.00 5.58 C ATOM 420 O LYS A 27 -3.705 -1.382 -5.859 1.00 4.11 O ATOM 421 CB LYS A 27 -2.842 1.518 -4.492 1.00 3.97 C ATOM 422 CG LYS A 27 -2.468 2.202 -3.145 1.00 7.45 C ATOM 423 CD LYS A 27 -3.098 3.603 -3.105 1.00 9.02 C ATOM 424 CE LYS A 27 -3.147 4.318 -1.761 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.090 5.492 -1.794 1.00 15.47 N ATOM 0 H LYS A 27 -0.382 1.142 -4.944 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.394 -0.391 -3.786 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.564 2.178 -5.314 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.924 1.392 -4.537 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.826 1.604 -2.307 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.385 2.273 -3.047 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.551 4.237 -3.803 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.118 3.523 -3.480 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.462 3.618 -0.987 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.147 4.660 -1.493 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.808 6.184 -1.071 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.056 5.938 -2.733 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.058 5.165 -1.601 1.00 15.47 H new ATOM 439 N ALA A 28 -2.283 -0.393 -7.140 1.00 6.61 N ATOM 440 CA ALA A 28 -2.647 -1.170 -8.309 1.00 7.74 C ATOM 441 C ALA A 28 -2.411 -2.659 -8.273 1.00 9.17 C ATOM 442 O ALA A 28 -3.259 -3.456 -8.672 1.00 11.45 O ATOM 443 CB ALA A 28 -1.933 -0.491 -9.460 1.00 7.68 C ATOM 0 H ALA A 28 -1.592 0.330 -7.341 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.734 -1.166 -8.396 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.155 -1.018 -10.388 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.271 0.542 -9.539 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.858 -0.508 -9.282 1.00 7.68 H new ATOM 449 N LYS A 29 -1.317 -3.079 -7.672 1.00 8.96 N ATOM 450 CA LYS A 29 -0.970 -4.473 -7.362 1.00 7.90 C ATOM 451 C LYS A 29 -1.929 -5.112 -6.316 1.00 6.92 C ATOM 452 O LYS A 29 -2.546 -6.177 -6.525 1.00 6.87 O ATOM 453 CB LYS A 29 0.470 -4.742 -6.990 1.00 10.28 C ATOM 454 CG LYS A 29 1.388 -4.436 -8.213 1.00 14.94 C ATOM 455 CD LYS A 29 2.860 -4.459 -7.676 1.00 19.69 C ATOM 456 CE LYS A 29 4.063 -4.014 -8.558 1.00 22.63 C ATOM 457 NZ LYS A 29 4.035 -4.584 -9.942 1.00 24.98 N ATOM 0 H LYS A 29 -0.596 -2.427 -7.364 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.107 -4.964 -8.326 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.759 -4.123 -6.141 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.590 -5.781 -6.683 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.249 -5.179 -8.999 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.147 -3.465 -8.646 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.879 -3.837 -6.781 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.064 -5.482 -7.358 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.073 -2.926 -8.622 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.991 -4.313 -8.070 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.863 -4.247 -10.473 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.056 -5.623 -9.890 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.166 -4.279 -10.426 1.00 24.98 H new ATOM 471 N ILE A 30 -2.293 -4.371 -5.188 1.00 4.57 N ATOM 472 CA ILE A 30 -3.457 -4.678 -4.347 1.00 5.58 C ATOM 473 C ILE A 30 -4.890 -4.756 -4.973 1.00 7.26 C ATOM 474 O ILE A 30 -5.716 -5.589 -4.728 1.00 9.46 O ATOM 475 CB ILE A 30 -3.487 -3.698 -3.169 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.150 -3.739 -2.380 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.707 -4.123 -2.251 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.026 -2.554 -1.491 1.00 2.00 C ATOM 0 H ILE A 30 -1.768 -3.557 -4.869 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.272 -5.719 -4.081 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.609 -2.673 -3.519 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.101 -4.652 -1.786 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.312 -3.766 -3.077 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.769 -3.451 -1.395 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.632 -4.066 -2.825 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.560 -5.145 -1.901 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.082 -2.604 -0.948 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.052 -1.645 -2.091 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.853 -2.544 -0.781 1.00 2.00 H new ATOM 490 N GLN A 31 -5.174 -3.915 -5.948 1.00 7.06 N ATOM 491 CA GLN A 31 -6.511 -3.923 -6.687 1.00 8.67 C ATOM 492 C GLN A 31 -6.673 -5.149 -7.600 1.00 10.90 C ATOM 493 O GLN A 31 -7.765 -5.753 -7.688 1.00 9.63 O ATOM 494 CB GLN A 31 -6.498 -2.684 -7.588 1.00 9.12 C ATOM 495 CG GLN A 31 -7.766 -2.337 -8.267 1.00 10.76 C ATOM 496 CD GLN A 31 -7.641 -1.319 -9.361 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.591 -0.872 -9.799 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.867 -0.901 -9.833 1.00 14.76 N ATOM 0 H GLN A 31 -4.525 -3.201 -6.279 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.322 -3.940 -5.959 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.191 -1.829 -6.985 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.733 -2.827 -8.351 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.197 -3.246 -8.685 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.469 -1.964 -7.522 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.724 -1.295 -9.445 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.917 -0.198 -10.570 1.00 14.76 H new ATOM 507 N ASP A 32 -5.572 -5.634 -8.213 1.00 10.93 N ATOM 508 CA ASP A 32 -5.557 -6.942 -8.884 1.00 14.01 C ATOM 509 C ASP A 32 -5.966 -8.034 -7.961 1.00 14.04 C ATOM 510 O ASP A 32 -6.776 -8.916 -8.337 1.00 13.39 O ATOM 511 CB ASP A 32 -4.139 -7.119 -9.631 1.00 18.01 C ATOM 512 CG ASP A 32 -4.317 -8.189 -10.675 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.333 -9.443 -10.357 1.00 26.29 O ATOM 514 OD2 ASP A 32 -4.371 -7.814 -11.890 1.00 25.17 O ATOM 0 H ASP A 32 -4.683 -5.135 -8.254 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.314 -7.000 -9.666 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.826 -6.181 -10.090 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.362 -7.400 -8.920 1.00 18.01 H new ATOM 519 N LYS A 33 -5.381 -8.070 -6.731 1.00 14.22 N ATOM 520 CA LYS A 33 -5.735 -9.022 -5.703 1.00 14.00 C ATOM 521 C LYS A 33 -7.177 -8.917 -5.122 1.00 12.37 C ATOM 522 O LYS A 33 -7.913 -9.877 -5.010 1.00 12.17 O ATOM 523 CB LYS A 33 -4.749 -8.858 -4.549 1.00 18.62 C ATOM 524 CG LYS A 33 -3.224 -9.146 -4.843 1.00 24.00 C ATOM 525 CD LYS A 33 -3.008 -10.602 -5.241 1.00 27.61 C ATOM 526 CE LYS A 33 -1.528 -11.036 -5.575 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.516 -12.364 -6.122 1.00 30.06 N ATOM 0 H LYS A 33 -4.646 -7.422 -6.448 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.695 -9.996 -6.191 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.832 -7.836 -4.179 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.066 -9.517 -3.741 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.874 -8.492 -5.642 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.630 -8.915 -3.959 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.373 -11.233 -4.431 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.628 -10.812 -6.112 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.087 -10.337 -6.286 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.918 -11.000 -4.673 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.537 -12.641 -6.339 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.919 -13.028 -5.430 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.083 -12.386 -6.993 1.00 30.06 H new ATOM 541 N GLU A 34 -7.590 -7.717 -4.756 1.00 10.11 N ATOM 542 CA GLU A 34 -8.757 -7.620 -3.868 1.00 10.07 C ATOM 543 C GLU A 34 -9.988 -6.983 -4.432 1.00 9.32 C ATOM 544 O GLU A 34 -11.055 -7.057 -3.836 1.00 11.61 O ATOM 545 CB GLU A 34 -8.365 -6.897 -2.538 1.00 14.77 C ATOM 546 CG GLU A 34 -7.489 -7.712 -1.564 1.00 18.75 C ATOM 547 CD GLU A 34 -8.329 -8.838 -0.997 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.174 -8.549 -0.087 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.194 -10.019 -1.440 1.00 25.19 O ATOM 0 H GLU A 34 -7.168 -6.832 -5.037 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.038 -8.660 -3.703 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.837 -5.977 -2.789 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.280 -6.609 -2.020 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.617 -8.112 -2.082 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.118 -7.074 -0.762 1.00 18.75 H new ATOM 556 N GLY A 35 -9.907 -6.338 -5.635 1.00 7.22 N ATOM 557 CA GLY A 35 -10.951 -5.508 -6.275 1.00 6.29 C ATOM 558 C GLY A 35 -11.034 -4.113 -5.723 1.00 6.93 C ATOM 559 O GLY A 35 -11.942 -3.444 -6.112 1.00 7.41 O ATOM 0 H GLY A 35 -9.064 -6.392 -6.206 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.755 -5.455 -7.346 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.918 -5.996 -6.152 1.00 6.29 H new ATOM 563 N ILE A 36 -10.108 -3.631 -4.864 1.00 5.86 N ATOM 564 CA ILE A 36 -10.255 -2.347 -4.210 1.00 6.07 C ATOM 565 C ILE A 36 -9.628 -1.196 -4.954 1.00 6.36 C ATOM 566 O ILE A 36 -8.459 -1.264 -5.285 1.00 6.18 O ATOM 567 CB ILE A 36 -9.528 -2.372 -2.858 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.901 -3.612 -2.076 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.937 -1.077 -2.063 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.032 -3.728 -0.900 1.00 9.49 C ATOM 0 H ILE A 36 -9.252 -4.129 -4.618 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.332 -2.196 -4.140 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.449 -2.393 -3.014 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.945 -3.559 -1.766 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.799 -4.496 -2.705 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.434 -1.069 -1.096 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.645 -0.194 -2.631 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.016 -1.070 -1.910 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.300 -4.621 -0.336 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.993 -3.800 -1.221 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.156 -2.849 -0.268 1.00 9.49 H new ATOM 582 N PRO A 37 -10.380 -0.211 -5.393 1.00 8.65 N ATOM 583 CA PRO A 37 -9.905 0.929 -6.150 1.00 9.18 C ATOM 584 C PRO A 37 -8.723 1.671 -5.494 1.00 9.85 C ATOM 585 O PRO A 37 -8.914 2.076 -4.349 1.00 8.51 O ATOM 586 CB PRO A 37 -11.096 1.810 -6.355 1.00 11.42 C ATOM 587 CG PRO A 37 -12.270 1.019 -5.973 1.00 9.27 C ATOM 588 CD PRO A 37 -11.763 0.013 -4.962 1.00 8.33 C ATOM 0 HA PRO A 37 -9.486 0.597 -7.100 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.021 2.711 -5.747 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.166 2.132 -7.394 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.047 1.651 -5.543 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.707 0.521 -6.838 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.812 0.402 -3.945 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.346 -0.908 -4.980 1.00 8.33 H new ATOM 596 N PRO A 38 -7.641 2.031 -6.088 1.00 8.71 N ATOM 597 CA PRO A 38 -6.573 2.679 -5.477 1.00 9.08 C ATOM 598 C PRO A 38 -6.899 3.954 -4.666 1.00 9.28 C ATOM 599 O PRO A 38 -6.234 4.172 -3.665 1.00 6.50 O ATOM 600 CB PRO A 38 -5.516 2.921 -6.517 1.00 10.31 C ATOM 601 CG PRO A 38 -5.693 1.762 -7.509 1.00 10.81 C ATOM 602 CD PRO A 38 -7.148 1.413 -7.325 1.00 12.00 C ATOM 0 HA PRO A 38 -6.218 2.009 -4.694 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.650 3.887 -7.004 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.518 2.921 -6.078 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.472 2.064 -8.533 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.039 0.922 -7.276 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.729 1.764 -8.178 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.272 0.331 -7.279 1.00 12.00 H new ATOM 610 N ASP A 39 -7.870 4.780 -5.046 1.00 11.20 N ATOM 611 CA ASP A 39 -8.238 5.970 -4.267 1.00 14.96 C ATOM 612 C ASP A 39 -9.088 5.786 -3.066 1.00 13.99 C ATOM 613 O ASP A 39 -9.179 6.622 -2.144 1.00 13.75 O ATOM 614 CB ASP A 39 -8.910 7.096 -5.114 1.00 24.16 C ATOM 615 CG ASP A 39 -8.031 7.455 -6.233 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.039 8.117 -5.944 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.265 7.081 -7.377 1.00 34.22 O ATOM 0 H ASP A 39 -8.422 4.650 -5.894 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.244 6.251 -3.920 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.875 6.757 -5.490 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.100 7.970 -4.491 1.00 24.16 H new ATOM 622 N GLN A 40 -9.763 4.613 -2.994 1.00 11.60 N ATOM 623 CA GLN A 40 -10.472 4.109 -1.871 1.00 10.76 C ATOM 624 C GLN A 40 -9.472 3.520 -0.873 1.00 8.01 C ATOM 625 O GLN A 40 -9.686 3.721 0.305 1.00 8.96 O ATOM 626 CB GLN A 40 -11.489 2.997 -2.190 1.00 11.14 C ATOM 627 CG GLN A 40 -12.464 2.757 -0.993 1.00 14.85 C ATOM 628 CD GLN A 40 -13.345 1.488 -1.134 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.331 0.606 -0.274 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.194 1.483 -2.195 1.00 18.16 N ATOM 0 H GLN A 40 -9.808 3.978 -3.791 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.029 4.960 -1.480 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.060 3.268 -3.078 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.960 2.073 -2.421 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.882 2.681 -0.075 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.113 3.626 -0.888 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.162 2.240 -2.878 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.864 0.722 -2.309 1.00 18.16 H new ATOM 639 N GLN A 41 -8.460 2.784 -1.372 1.00 6.52 N ATOM 640 CA GLN A 41 -7.375 2.285 -0.542 1.00 3.87 C ATOM 641 C GLN A 41 -6.567 3.435 0.019 1.00 4.79 C ATOM 642 O GLN A 41 -6.335 4.504 -0.544 1.00 6.34 O ATOM 643 CB GLN A 41 -6.289 1.516 -1.334 1.00 4.20 C ATOM 644 CG GLN A 41 -6.840 0.346 -2.168 1.00 3.20 C ATOM 645 CD GLN A 41 -5.780 -0.448 -2.895 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.659 -0.509 -2.431 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.140 -1.091 -3.990 1.00 7.13 N ATOM 0 H GLN A 41 -8.382 2.527 -2.356 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.880 1.658 0.193 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.775 2.212 -1.997 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.545 1.133 -0.635 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.394 -0.325 -1.511 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.550 0.737 -2.897 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.094 -1.008 -4.340 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.464 -1.671 -4.486 1.00 7.13 H new ATOM 656 N ARG A 42 -6.093 3.254 1.270 1.00 5.73 N ATOM 657 CA ARG A 42 -5.188 4.148 1.923 1.00 6.97 C ATOM 658 C ARG A 42 -4.164 3.292 2.606 1.00 7.15 C ATOM 659 O ARG A 42 -4.457 2.352 3.354 1.00 7.33 O ATOM 660 CB ARG A 42 -5.910 4.900 2.999 1.00 13.23 C ATOM 661 CG ARG A 42 -6.857 6.056 2.481 1.00 21.27 C ATOM 662 CD ARG A 42 -7.308 6.929 3.573 1.00 26.14 C ATOM 663 NE ARG A 42 -8.038 8.116 3.010 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.697 9.003 3.751 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.731 9.049 5.068 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.366 9.938 3.076 1.00 36.39 N ATOM 0 H ARG A 42 -6.352 2.453 1.846 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.755 4.844 1.204 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.505 4.194 3.579 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.174 5.330 3.679 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.329 6.651 1.736 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.724 5.620 1.984 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.962 6.375 4.247 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.453 7.262 4.161 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.028 8.250 1.999 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.218 8.358 5.616 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.271 9.775 5.539 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.350 9.940 2.056 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.894 10.651 3.579 1.00 36.39 H new ATOM 680 N LEU A 43 -2.874 3.575 2.398 1.00 4.65 N ATOM 681 CA LEU A 43 -1.775 2.651 2.799 1.00 3.51 C ATOM 682 C LEU A 43 -0.989 3.277 3.872 1.00 5.56 C ATOM 683 O LEU A 43 -0.789 4.485 3.830 1.00 4.19 O ATOM 684 CB LEU A 43 -0.948 2.346 1.503 1.00 3.74 C ATOM 685 CG LEU A 43 -0.147 1.047 1.401 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.060 -0.159 1.550 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.620 1.024 0.020 1.00 6.41 C ATOM 0 H LEU A 43 -2.551 4.435 1.954 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.136 1.706 3.205 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.641 2.367 0.662 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.250 3.171 1.361 1.00 3.74 H new ATOM 0 HG LEU A 43 0.582 1.000 2.210 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.471 -1.073 1.474 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.553 -0.124 2.522 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.812 -0.146 0.761 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.194 0.101 -0.062 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.100 1.077 -0.797 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.295 1.878 -0.035 1.00 6.41 H new ATOM 699 N ILE A 44 -0.679 2.519 4.926 1.00 4.58 N ATOM 700 CA ILE A 44 -0.215 3.015 6.231 1.00 5.55 C ATOM 701 C ILE A 44 1.088 2.307 6.612 1.00 5.46 C ATOM 702 O ILE A 44 1.144 1.036 6.615 1.00 6.04 O ATOM 703 CB ILE A 44 -1.203 2.732 7.358 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.647 3.230 7.030 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.667 3.340 8.679 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.912 4.739 6.769 1.00 13.90 C ATOM 0 H ILE A 44 -0.746 1.502 4.896 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.092 4.092 6.121 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.287 1.651 7.474 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.985 2.685 6.148 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.289 2.927 7.857 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.373 3.138 9.485 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.297 2.893 8.920 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.548 4.417 8.562 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.971 4.891 6.559 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.630 5.316 7.650 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.321 5.070 5.915 1.00 13.90 H new ATOM 718 N PHE A 45 2.079 3.050 6.969 1.00 6.75 N ATOM 719 CA PHE A 45 3.389 2.645 7.367 1.00 4.70 C ATOM 720 C PHE A 45 3.921 3.540 8.440 1.00 6.34 C ATOM 721 O PHE A 45 3.891 4.797 8.354 1.00 5.45 O ATOM 722 CB PHE A 45 4.372 2.419 6.231 1.00 5.51 C ATOM 723 CG PHE A 45 5.552 1.601 6.489 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.503 0.185 6.497 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.742 2.230 6.713 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.562 -0.573 6.794 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.842 1.480 7.046 1.00 6.64 C ATOM 728 CZ PHE A 45 7.746 0.048 7.131 1.00 6.84 C ATOM 0 H PHE A 45 1.983 4.065 6.992 1.00 6.75 H new ATOM 0 HA PHE A 45 3.273 1.646 7.788 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.826 1.963 5.405 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.713 3.396 5.888 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.570 -0.302 6.253 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.817 3.304 6.629 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.492 -1.650 6.771 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.785 1.968 7.245 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.594 -0.536 7.456 1.00 6.84 H new ATOM 738 N ALA A 46 4.496 2.940 9.505 1.00 6.53 N ATOM 739 CA ALA A 46 4.875 3.474 10.826 1.00 7.15 C ATOM 740 C ALA A 46 3.749 4.369 11.410 1.00 9.00 C ATOM 741 O ALA A 46 4.012 5.454 11.883 1.00 11.15 O ATOM 742 CB ALA A 46 6.130 4.302 10.699 1.00 8.99 C ATOM 0 H ALA A 46 4.733 1.949 9.449 1.00 6.53 H new ATOM 0 HA ALA A 46 5.042 2.629 11.494 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.407 4.695 11.677 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.939 3.680 10.315 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.952 5.130 10.013 1.00 8.99 H new ATOM 748 N GLY A 47 2.492 3.897 11.269 1.00 9.35 N ATOM 749 CA GLY A 47 1.292 4.528 11.735 1.00 11.68 C ATOM 750 C GLY A 47 0.846 5.702 10.954 1.00 11.14 C ATOM 751 O GLY A 47 -0.070 6.449 11.320 1.00 13.93 O ATOM 0 H GLY A 47 2.304 3.013 10.796 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.491 3.789 11.737 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.443 4.837 12.769 1.00 11.68 H new ATOM 755 N LYS A 48 1.462 6.053 9.860 1.00 10.47 N ATOM 756 CA LYS A 48 1.081 7.186 9.065 1.00 8.82 C ATOM 757 C LYS A 48 0.785 6.912 7.575 1.00 7.68 C ATOM 758 O LYS A 48 1.282 5.893 7.032 1.00 6.47 O ATOM 759 CB LYS A 48 2.016 8.425 9.184 1.00 9.74 C ATOM 760 CG LYS A 48 3.507 8.247 8.667 1.00 14.14 C ATOM 761 CD LYS A 48 4.274 9.532 8.650 1.00 16.32 C ATOM 762 CE LYS A 48 5.709 9.481 8.249 1.00 20.04 C ATOM 763 NZ LYS A 48 5.954 8.826 6.941 1.00 23.92 N ATOM 0 H LYS A 48 2.264 5.545 9.487 1.00 10.47 H new ATOM 0 HA LYS A 48 0.129 7.427 9.538 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.561 9.248 8.633 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.053 8.724 10.232 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.024 7.529 9.304 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.490 7.826 7.662 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.762 10.218 7.975 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.221 9.967 9.648 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.100 10.498 8.212 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.271 8.951 9.018 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.974 8.831 6.736 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.613 7.844 6.975 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.448 9.343 6.194 1.00 23.92 H new ATOM 777 N GLN A 49 -0.016 7.771 6.969 1.00 8.89 N ATOM 778 CA GLN A 49 -0.433 7.601 5.588 1.00 7.18 C ATOM 779 C GLN A 49 0.706 7.846 4.583 1.00 8.23 C ATOM 780 O GLN A 49 1.514 8.752 4.845 1.00 9.70 O ATOM 781 CB GLN A 49 -1.697 8.462 5.298 1.00 11.67 C ATOM 782 CG GLN A 49 -2.465 8.142 4.000 1.00 15.82 C ATOM 783 CD GLN A 49 -3.486 9.162 3.490 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.593 9.332 3.997 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.065 9.951 2.444 1.00 20.67 N ATOM 0 H GLN A 49 -0.395 8.604 7.419 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.705 6.555 5.448 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.384 8.352 6.137 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.397 9.509 5.267 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.731 7.983 3.210 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.985 7.196 4.147 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.145 9.801 2.031 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.673 10.685 2.082 1.00 20.67 H new ATOM 794 N LEU A 50 0.806 7.033 3.522 1.00 6.51 N ATOM 795 CA LEU A 50 1.785 7.248 2.536 1.00 7.41 C ATOM 796 C LEU A 50 1.071 7.891 1.399 1.00 8.27 C ATOM 797 O LEU A 50 -0.124 7.729 1.229 1.00 8.34 O ATOM 798 CB LEU A 50 2.376 5.924 2.030 1.00 7.13 C ATOM 799 CG LEU A 50 2.866 5.039 3.168 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.327 3.702 2.707 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.918 5.765 3.984 1.00 9.11 C ATOM 0 H LEU A 50 0.203 6.228 3.356 1.00 6.51 H new ATOM 0 HA LEU A 50 2.600 7.849 2.940 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.621 5.388 1.455 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.204 6.133 1.353 1.00 7.13 H new ATOM 0 HG LEU A 50 2.014 4.838 3.817 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.664 3.118 3.564 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.504 3.183 2.215 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.151 3.824 2.004 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.259 5.120 4.794 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.762 6.021 3.344 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.490 6.676 4.401 1.00 9.11 H new ATOM 813 N GLU A 51 1.747 8.682 0.549 1.00 9.43 N ATOM 814 CA GLU A 51 1.053 9.465 -0.446 1.00 11.90 C ATOM 815 C GLU A 51 1.257 8.867 -1.789 1.00 11.49 C ATOM 816 O GLU A 51 2.360 8.550 -2.195 1.00 9.88 O ATOM 817 CB GLU A 51 1.511 10.938 -0.343 1.00 16.56 C ATOM 818 CG GLU A 51 1.369 11.533 1.094 1.00 26.06 C ATOM 819 CD GLU A 51 1.632 13.011 1.136 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.603 13.721 0.903 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.738 13.512 1.396 1.00 32.13 O ATOM 0 H GLU A 51 2.762 8.785 0.543 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.023 9.456 -0.271 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.552 11.010 -0.657 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.927 11.542 -1.038 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.364 11.336 1.467 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.063 11.025 1.764 1.00 26.06 H new ATOM 828 N ASP A 52 0.081 8.707 -2.512 1.00 12.71 N ATOM 829 CA ASP A 52 -0.139 7.947 -3.674 1.00 16.56 C ATOM 830 C ASP A 52 0.915 8.102 -4.819 1.00 15.83 C ATOM 831 O ASP A 52 1.424 7.084 -5.251 1.00 17.21 O ATOM 832 CB ASP A 52 -1.536 8.266 -4.277 1.00 21.05 C ATOM 833 CG ASP A 52 -2.664 8.106 -3.301 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.675 8.803 -2.215 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.571 7.318 -3.665 1.00 28.37 O ATOM 0 H ASP A 52 -0.774 9.176 -2.214 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.056 6.920 -3.317 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.535 9.289 -4.653 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.711 7.613 -5.132 1.00 21.05 H new ATOM 840 N GLY A 53 1.225 9.331 -5.167 1.00 15.00 N ATOM 841 CA GLY A 53 2.226 9.626 -6.190 1.00 11.77 C ATOM 842 C GLY A 53 3.611 9.588 -5.743 1.00 11.10 C ATOM 843 O GLY A 53 4.502 9.733 -6.596 1.00 11.25 O ATOM 0 H GLY A 53 0.796 10.159 -4.754 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.107 8.913 -7.006 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.022 10.616 -6.598 1.00 11.77 H new ATOM 847 N ARG A 54 3.909 9.458 -4.457 1.00 8.53 N ATOM 848 CA ARG A 54 5.276 9.216 -3.995 1.00 9.05 C ATOM 849 C ARG A 54 5.609 7.667 -4.087 1.00 8.96 C ATOM 850 O ARG A 54 4.748 6.890 -4.475 1.00 11.60 O ATOM 851 CB ARG A 54 5.463 9.755 -2.560 1.00 7.97 C ATOM 852 CG ARG A 54 5.208 11.235 -2.465 1.00 9.62 C ATOM 853 CD ARG A 54 6.371 12.150 -2.892 1.00 12.20 C ATOM 854 NE ARG A 54 5.850 13.521 -2.956 1.00 18.23 N ATOM 855 CZ ARG A 54 6.578 14.633 -2.699 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.886 14.620 -2.343 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.011 15.846 -2.816 1.00 23.38 N ATOM 0 H ARG A 54 3.219 9.516 -3.708 1.00 8.53 H new ATOM 0 HA ARG A 54 5.975 9.751 -4.638 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.787 9.229 -1.886 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.478 9.542 -2.224 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.340 11.474 -3.079 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.945 11.473 -1.434 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.193 12.085 -2.179 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.765 11.843 -3.861 1.00 12.20 H new ATOM 0 HE ARG A 54 4.870 13.644 -3.212 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.382 13.733 -2.255 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.374 15.497 -2.164 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.034 15.927 -3.098 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.558 16.685 -2.623 1.00 23.38 H new ATOM 871 N THR A 55 6.875 7.254 -3.775 1.00 9.05 N ATOM 872 CA THR A 55 7.307 5.859 -3.812 1.00 9.03 C ATOM 873 C THR A 55 7.766 5.310 -2.469 1.00 8.15 C ATOM 874 O THR A 55 7.951 6.012 -1.489 1.00 5.91 O ATOM 875 CB THR A 55 8.468 5.731 -4.753 1.00 11.15 C ATOM 876 OG1 THR A 55 9.659 6.403 -4.313 1.00 11.95 O ATOM 877 CG2 THR A 55 8.202 6.458 -6.102 1.00 11.71 C ATOM 0 H THR A 55 7.613 7.899 -3.492 1.00 9.05 H new ATOM 0 HA THR A 55 6.433 5.289 -4.126 1.00 9.03 H new ATOM 0 HB THR A 55 8.591 4.650 -4.823 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.431 7.048 -3.611 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.067 6.341 -6.755 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.324 6.025 -6.582 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.028 7.518 -5.916 1.00 11.71 H new ATOM 885 N LEU A 56 7.950 3.964 -2.408 1.00 6.91 N ATOM 886 CA LEU A 56 8.385 3.197 -1.237 1.00 8.29 C ATOM 887 C LEU A 56 9.721 3.668 -0.648 1.00 8.05 C ATOM 888 O LEU A 56 9.794 3.833 0.547 1.00 10.17 O ATOM 889 CB LEU A 56 8.448 1.720 -1.611 1.00 6.60 C ATOM 890 CG LEU A 56 7.114 0.976 -2.017 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.390 -0.428 -2.537 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.181 0.944 -0.801 1.00 8.64 C ATOM 0 H LEU A 56 7.788 3.367 -3.219 1.00 6.91 H new ATOM 0 HA LEU A 56 7.650 3.362 -0.449 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.147 1.620 -2.442 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.880 1.184 -0.765 1.00 6.60 H new ATOM 0 HG LEU A 56 6.635 1.519 -2.832 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.449 -0.908 -2.806 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.032 -0.371 -3.416 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.887 -1.012 -1.762 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.255 0.433 -1.066 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.667 0.412 0.017 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.956 1.964 -0.488 1.00 8.64 H new ATOM 904 N SER A 57 10.714 3.972 -1.613 1.00 8.92 N ATOM 905 CA SER A 57 11.986 4.634 -1.333 1.00 9.00 C ATOM 906 C SER A 57 11.900 6.048 -0.754 1.00 9.44 C ATOM 907 O SER A 57 12.817 6.453 -0.080 1.00 10.91 O ATOM 908 CB SER A 57 12.967 4.663 -2.458 1.00 10.32 C ATOM 909 OG SER A 57 12.318 5.234 -3.606 1.00 13.59 O ATOM 0 H SER A 57 10.600 3.740 -2.600 1.00 8.92 H new ATOM 0 HA SER A 57 12.355 3.963 -0.557 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.842 5.252 -2.184 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.318 3.656 -2.682 1.00 10.32 H new ATOM 0 HG SER A 57 11.727 4.567 -4.013 1.00 13.59 H new ATOM 915 N ASP A 58 10.848 6.823 -1.051 1.00 9.11 N ATOM 916 CA ASP A 58 10.663 8.130 -0.365 1.00 7.91 C ATOM 917 C ASP A 58 10.405 8.042 1.120 1.00 9.12 C ATOM 918 O ASP A 58 10.930 8.806 1.952 1.00 8.61 O ATOM 919 CB ASP A 58 9.487 8.965 -0.982 1.00 8.41 C ATOM 920 CG ASP A 58 9.818 9.255 -2.414 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.670 10.176 -2.638 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.188 8.650 -3.287 1.00 10.05 O ATOM 0 H ASP A 58 10.129 6.588 -1.736 1.00 9.11 H new ATOM 0 HA ASP A 58 11.625 8.619 -0.521 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.551 8.411 -0.913 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.349 9.894 -0.428 1.00 8.41 H new ATOM 927 N TYR A 59 9.689 6.961 1.541 1.00 7.97 N ATOM 928 CA TYR A 59 9.419 6.694 2.942 1.00 8.45 C ATOM 929 C TYR A 59 10.441 5.793 3.455 1.00 10.98 C ATOM 930 O TYR A 59 10.492 5.526 4.651 1.00 12.95 O ATOM 931 CB TYR A 59 8.005 6.041 2.961 1.00 7.94 C ATOM 932 CG TYR A 59 7.054 7.048 2.448 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.817 8.262 3.122 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.368 6.801 1.204 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.033 9.249 2.611 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.505 7.810 0.734 1.00 6.52 C ATOM 937 CZ TYR A 59 5.310 9.048 1.441 1.00 6.76 C ATOM 938 OH TYR A 59 4.368 9.954 0.961 1.00 7.63 O ATOM 0 H TYR A 59 9.295 6.267 0.905 1.00 7.97 H new ATOM 0 HA TYR A 59 9.440 7.585 3.569 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.987 5.144 2.342 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.735 5.736 3.972 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.278 8.416 4.087 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.510 5.881 0.656 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.972 10.200 3.120 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.970 7.649 -0.190 1.00 6.52 H new ATOM 0 HH TYR A 59 4.823 10.761 0.643 1.00 7.63 H new ATOM 948 N ASN A 60 11.297 5.259 2.643 1.00 12.38 N ATOM 949 CA ASN A 60 12.367 4.241 2.936 1.00 13.94 C ATOM 950 C ASN A 60 11.757 2.906 3.445 1.00 14.16 C ATOM 951 O ASN A 60 12.254 2.324 4.362 1.00 14.26 O ATOM 952 CB ASN A 60 13.528 4.614 3.807 1.00 19.23 C ATOM 953 CG ASN A 60 14.224 5.836 3.240 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.888 5.886 2.191 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.055 6.950 3.911 1.00 24.09 N ATOM 0 H ASN A 60 11.301 5.520 1.657 1.00 12.38 H new ATOM 0 HA ASN A 60 12.821 4.150 1.949 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.183 4.818 4.821 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.229 3.782 3.870 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.463 7.819 3.567 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.516 6.947 4.777 1.00 24.09 H new ATOM 962 N ILE A 61 10.689 2.427 2.839 1.00 11.08 N ATOM 963 CA ILE A 61 10.171 1.097 3.051 1.00 11.78 C ATOM 964 C ILE A 61 11.018 0.100 2.406 1.00 13.74 C ATOM 965 O ILE A 61 11.165 0.067 1.202 1.00 14.60 O ATOM 966 CB ILE A 61 8.754 0.928 2.481 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.830 1.924 3.206 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.138 -0.479 2.664 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.546 2.343 2.450 1.00 11.42 C ATOM 0 H ILE A 61 10.145 2.970 2.168 1.00 11.08 H new ATOM 0 HA ILE A 61 10.151 0.953 4.131 1.00 11.78 H new ATOM 0 HB ILE A 61 8.839 1.099 1.408 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.538 1.487 4.161 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.404 2.823 3.430 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.138 -0.498 2.230 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.765 -1.218 2.165 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.076 -0.714 3.727 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.978 3.045 3.060 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.817 2.818 1.507 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.937 1.461 2.250 1.00 11.42 H new ATOM 981 N GLN A 62 11.644 -0.806 3.239 1.00 13.97 N ATOM 982 CA GLN A 62 12.634 -1.767 2.769 1.00 15.52 C ATOM 983 C GLN A 62 12.030 -3.142 2.907 1.00 13.94 C ATOM 984 O GLN A 62 11.191 -3.365 3.794 1.00 12.15 O ATOM 985 CB GLN A 62 13.895 -1.630 3.606 1.00 19.53 C ATOM 986 CG GLN A 62 15.057 -2.477 3.094 1.00 26.38 C ATOM 987 CD GLN A 62 15.381 -2.254 1.673 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.896 -2.912 0.790 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.299 -1.268 1.394 1.00 32.71 N ATOM 0 H GLN A 62 11.457 -0.866 4.240 1.00 13.97 H new ATOM 0 HA GLN A 62 12.904 -1.592 1.728 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.198 -0.583 3.624 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.673 -1.915 4.634 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.941 -2.264 3.695 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.818 -3.530 3.241 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.702 -0.718 2.152 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.576 -1.087 0.429 1.00 32.71 H new ATOM 998 N LYS A 63 12.257 -3.992 1.893 1.00 11.73 N ATOM 999 CA LYS A 63 11.805 -5.346 1.757 1.00 11.97 C ATOM 1000 C LYS A 63 11.343 -6.151 2.941 1.00 10.41 C ATOM 1001 O LYS A 63 11.987 -6.013 4.009 1.00 9.59 O ATOM 1002 CB LYS A 63 12.797 -6.221 0.963 1.00 13.73 C ATOM 1003 CG LYS A 63 14.141 -6.543 1.705 1.00 16.98 C ATOM 1004 CD LYS A 63 15.139 -7.132 0.778 1.00 20.19 C ATOM 1005 CE LYS A 63 16.568 -7.366 1.438 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.563 -7.851 0.527 1.00 25.97 N ATOM 0 H LYS A 63 12.812 -3.703 1.088 1.00 11.73 H new ATOM 0 HA LYS A 63 10.876 -5.121 1.233 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.306 -7.160 0.709 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.030 -5.719 0.024 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.544 -5.631 2.145 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.950 -7.235 2.525 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.760 -8.084 0.408 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.251 -6.476 -0.085 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.914 -6.427 1.871 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.465 -8.076 2.258 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.464 -7.978 1.032 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.257 -8.763 0.131 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.692 -7.165 -0.244 1.00 25.97 H new ATOM 1020 N GLU A 64 10.304 -6.985 2.810 1.00 10.04 N ATOM 1021 CA GLU A 64 9.769 -7.845 3.824 1.00 10.94 C ATOM 1022 C GLU A 64 9.189 -7.142 5.030 1.00 9.74 C ATOM 1023 O GLU A 64 9.476 -7.317 6.181 1.00 9.42 O ATOM 1024 CB GLU A 64 10.752 -8.999 4.186 1.00 18.31 C ATOM 1025 CG GLU A 64 11.350 -9.740 2.940 1.00 24.16 C ATOM 1026 CD GLU A 64 12.181 -11.020 3.286 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.542 -12.056 3.668 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.388 -11.047 3.100 1.00 31.72 O ATOM 0 H GLU A 64 9.796 -7.068 1.929 1.00 10.04 H new ATOM 0 HA GLU A 64 8.892 -8.304 3.368 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.570 -8.593 4.782 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.231 -9.724 4.812 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.534 -10.020 2.273 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.986 -9.046 2.391 1.00 24.16 H new ATOM 1035 N SER A 65 8.308 -6.165 4.854 1.00 6.85 N ATOM 1036 CA SER A 65 7.633 -5.413 5.987 1.00 6.90 C ATOM 1037 C SER A 65 6.164 -5.355 5.799 1.00 4.72 C ATOM 1038 O SER A 65 5.678 -5.535 4.650 1.00 3.91 O ATOM 1039 CB SER A 65 8.293 -4.118 6.360 1.00 7.28 C ATOM 1040 OG SER A 65 7.846 -3.778 7.684 1.00 10.56 O ATOM 0 H SER A 65 8.018 -5.845 3.930 1.00 6.85 H new ATOM 0 HA SER A 65 7.787 -6.002 6.891 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.378 -4.218 6.334 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.028 -3.333 5.651 1.00 7.28 H new ATOM 0 HG SER A 65 8.260 -2.934 7.962 1.00 10.56 H new ATOM 1046 N THR A 66 5.440 -5.122 6.845 1.00 4.48 N ATOM 1047 CA THR A 66 4.017 -4.996 6.840 1.00 3.80 C ATOM 1048 C THR A 66 3.603 -3.617 6.654 1.00 4.60 C ATOM 1049 O THR A 66 3.848 -2.710 7.485 1.00 5.33 O ATOM 1050 CB THR A 66 3.344 -5.642 8.079 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.490 -7.047 8.108 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.788 -5.518 7.990 1.00 3.40 C ATOM 0 H THR A 66 5.845 -5.008 7.774 1.00 4.48 H new ATOM 0 HA THR A 66 3.664 -5.564 5.980 1.00 3.80 H new ATOM 0 HB THR A 66 3.808 -5.137 8.926 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.051 -7.405 8.908 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.336 -5.977 8.869 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.509 -4.465 7.947 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.433 -6.025 7.092 1.00 3.40 H new ATOM 1060 N LEU A 67 2.835 -3.435 5.605 1.00 4.17 N ATOM 1061 CA LEU A 67 2.154 -2.166 5.300 1.00 3.85 C ATOM 1062 C LEU A 67 0.695 -2.373 5.608 1.00 3.80 C ATOM 1063 O LEU A 67 0.089 -3.387 5.216 1.00 5.54 O ATOM 1064 CB LEU A 67 2.278 -1.651 3.799 1.00 7.18 C ATOM 1065 CG LEU A 67 3.650 -1.136 3.295 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.690 -2.258 3.274 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.605 -0.355 1.906 1.00 11.66 C ATOM 0 H LEU A 67 2.653 -4.167 4.919 1.00 4.17 H new ATOM 0 HA LEU A 67 2.640 -1.399 5.903 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.971 -2.467 3.144 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.555 -0.846 3.666 1.00 7.18 H new ATOM 0 HG LEU A 67 3.955 -0.386 4.025 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.642 -1.865 2.916 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.817 -2.655 4.281 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.353 -3.054 2.610 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.611 -0.034 1.636 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.214 -1.014 1.131 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.959 0.518 2.000 1.00 11.66 H new ATOM 1079 N HIS A 68 0.115 -1.530 6.406 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.289 -1.750 6.830 1.00 4.17 C ATOM 1081 C HIS A 68 -2.183 -1.015 5.798 1.00 5.32 C ATOM 1082 O HIS A 68 -1.783 0.042 5.245 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.548 -1.263 8.291 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.259 -2.337 9.339 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.013 -2.687 9.792 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.111 -3.092 10.082 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.121 -3.584 10.814 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.405 -3.798 11.038 1.00 16.30 N ATOM 0 H HIS A 68 0.556 -0.692 6.786 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.522 -2.815 6.848 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.927 -0.390 8.493 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.586 -0.944 8.383 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.182 -3.134 9.946 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.700 -4.040 11.347 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.802 -4.376 11.779 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.376 -1.526 5.528 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.280 -1.031 4.485 1.00 3.97 C ATOM 1098 C LEU A 69 -5.517 -0.555 5.181 1.00 5.07 C ATOM 1099 O LEU A 69 -6.152 -1.388 5.817 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.628 -2.155 3.481 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.705 -1.791 2.434 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.211 -0.827 1.390 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.190 -3.009 1.758 1.00 9.96 C ATOM 0 H LEU A 69 -3.758 -2.320 6.041 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.812 -0.227 3.917 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.718 -2.446 2.957 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.967 -3.027 4.040 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.511 -1.304 2.983 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.014 -0.612 0.685 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.892 0.098 1.871 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.369 -1.268 0.857 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.948 -2.740 1.023 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.358 -3.503 1.257 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.623 -3.686 2.494 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.857 0.740 5.003 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.137 1.261 5.598 1.00 6.26 C ATOM 1117 C VAL A 70 -7.997 1.747 4.445 1.00 9.22 C ATOM 1118 O VAL A 70 -7.583 1.703 3.257 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.982 2.208 6.736 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.126 1.487 7.798 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.457 3.567 6.275 1.00 8.54 C ATOM 0 H VAL A 70 -5.306 1.423 4.483 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.652 0.452 6.116 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.938 2.466 7.191 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.983 2.143 8.657 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.633 0.577 8.117 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.156 1.231 7.371 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.358 4.229 7.135 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.484 3.439 5.801 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.154 4.003 5.560 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.223 2.196 4.714 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.123 2.529 3.670 1.00 16.06 C ATOM 1133 C LEU A 71 -10.683 3.931 3.931 1.00 18.09 C ATOM 1134 O LEU A 71 -10.912 4.377 5.080 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.188 1.496 3.560 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.745 0.080 3.060 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.815 -1.021 3.139 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.240 0.264 1.605 1.00 19.57 C ATOM 0 H LEU A 71 -9.593 2.329 5.655 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.608 2.545 2.710 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.653 1.381 4.539 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.957 1.870 2.884 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.969 -0.284 3.734 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.401 -1.958 2.768 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.130 -1.148 4.175 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.674 -0.738 2.531 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.918 -0.698 1.207 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.046 0.660 0.987 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.401 0.960 1.596 1.00 19.57 H new