USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 520 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 6 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 52 LYS NZ :NH3+ -166:sc= -0.0752 (180deg=-0.335) USER MOD Single : A 7 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.1!) USER MOD Single : A 9 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.5) USER MOD Single : A 11 GLN : amide:sc= -0.0303 K(o=-0.03,f=-1.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -180:sc= 0.801 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.494 USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0208) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0247 K(o=-0.025,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 0.843 -0.034 0.188 1.00 53.32 N ATOM 2 CA TYR A 6 1.854 0.187 -0.839 1.00 22.30 C ATOM 3 C TYR A 6 2.083 -1.079 -1.659 1.00 74.23 C ATOM 4 O TYR A 6 1.483 -2.120 -1.393 1.00 71.20 O ATOM 5 CB TYR A 6 3.169 0.638 -0.201 1.00 11.51 C ATOM 6 CG TYR A 6 2.991 1.686 0.875 1.00 63.10 C ATOM 7 CD1 TYR A 6 2.460 2.934 0.575 1.00 11.42 C ATOM 8 CD2 TYR A 6 3.356 1.428 2.191 1.00 75.14 C ATOM 9 CE1 TYR A 6 2.296 3.895 1.555 1.00 64.04 C ATOM 10 CE2 TYR A 6 3.194 2.382 3.177 1.00 62.33 C ATOM 11 CZ TYR A 6 2.664 3.614 2.854 1.00 65.32 C ATOM 12 OH TYR A 6 2.504 4.567 3.833 1.00 55.10 O ATOM 0 HA TYR A 6 1.493 0.970 -1.505 1.00 22.30 H new ATOM 0 HB2 TYR A 6 3.672 -0.229 0.227 1.00 11.51 H new ATOM 0 HB3 TYR A 6 3.823 1.034 -0.978 1.00 11.51 H new ATOM 0 HD1 TYR A 6 2.170 3.157 -0.441 1.00 11.42 H new ATOM 0 HD2 TYR A 6 3.773 0.465 2.447 1.00 75.14 H new ATOM 0 HE1 TYR A 6 1.882 4.861 1.305 1.00 64.04 H new ATOM 0 HE2 TYR A 6 3.481 2.164 4.195 1.00 62.33 H new ATOM 0 HH TYR A 6 2.811 4.208 4.692 1.00 55.10 H new ATOM 22 N GLN A 7 2.955 -0.980 -2.657 1.00 73.24 N ATOM 23 CA GLN A 7 3.263 -2.117 -3.517 1.00 41.33 C ATOM 24 C GLN A 7 3.467 -3.383 -2.693 1.00 24.42 C ATOM 25 O GLN A 7 3.352 -3.363 -1.467 1.00 63.42 O ATOM 26 CB GLN A 7 4.513 -1.829 -4.350 1.00 44.30 C ATOM 27 CG GLN A 7 4.323 -2.075 -5.838 1.00 44.11 C ATOM 28 CD GLN A 7 5.217 -1.199 -6.693 1.00 42.34 C ATOM 29 OE1 GLN A 7 5.943 -0.346 -6.182 1.00 2.13 O ATOM 30 NE2 GLN A 7 5.169 -1.405 -8.004 1.00 43.23 N ATOM 0 H GLN A 7 3.460 -0.125 -2.890 1.00 73.24 H new ATOM 0 HA GLN A 7 2.417 -2.274 -4.186 1.00 41.33 H new ATOM 0 HB2 GLN A 7 4.810 -0.792 -4.197 1.00 44.30 H new ATOM 0 HB3 GLN A 7 5.331 -2.452 -3.989 1.00 44.30 H new ATOM 0 HG2 GLN A 7 4.529 -3.122 -6.058 1.00 44.11 H new ATOM 0 HG3 GLN A 7 3.281 -1.892 -6.103 1.00 44.11 H new ATOM 0 HE21 GLN A 7 4.553 -2.123 -8.385 1.00 43.23 H new ATOM 0 HE22 GLN A 7 5.748 -0.845 -8.630 1.00 43.23 H new ATOM 39 N ASP A 8 3.771 -4.483 -3.373 1.00 73.40 N ATOM 40 CA ASP A 8 3.992 -5.760 -2.703 1.00 51.14 C ATOM 41 C ASP A 8 4.623 -5.551 -1.330 1.00 62.04 C ATOM 42 O ASP A 8 4.300 -6.256 -0.375 1.00 62.52 O ATOM 43 CB ASP A 8 4.886 -6.660 -3.558 1.00 34.22 C ATOM 44 CG ASP A 8 4.235 -7.041 -4.873 1.00 42.23 C ATOM 45 OD1 ASP A 8 2.989 -7.089 -4.926 1.00 53.24 O ATOM 46 OD2 ASP A 8 4.973 -7.292 -5.850 1.00 12.34 O ATOM 0 H ASP A 8 3.870 -4.516 -4.388 1.00 73.40 H new ATOM 0 HA ASP A 8 3.025 -6.244 -2.568 1.00 51.14 H new ATOM 0 HB2 ASP A 8 5.828 -6.148 -3.757 1.00 34.22 H new ATOM 0 HB3 ASP A 8 5.126 -7.565 -2.999 1.00 34.22 H new ATOM 51 N GLN A 9 5.525 -4.579 -1.241 1.00 51.31 N ATOM 52 CA GLN A 9 6.202 -4.279 0.015 1.00 45.12 C ATOM 53 C GLN A 9 5.213 -4.257 1.175 1.00 23.24 C ATOM 54 O GLN A 9 5.456 -4.860 2.221 1.00 52.45 O ATOM 55 CB GLN A 9 6.926 -2.934 -0.080 1.00 33.42 C ATOM 56 CG GLN A 9 8.353 -3.046 -0.590 1.00 42.13 C ATOM 57 CD GLN A 9 8.446 -3.793 -1.906 1.00 33.41 C ATOM 58 OE1 GLN A 9 8.346 -5.020 -1.944 1.00 64.25 O ATOM 59 NE2 GLN A 9 8.637 -3.056 -2.994 1.00 32.32 N ATOM 0 H GLN A 9 5.804 -3.986 -2.023 1.00 51.31 H new ATOM 0 HA GLN A 9 6.934 -5.065 0.201 1.00 45.12 H new ATOM 0 HB2 GLN A 9 6.364 -2.274 -0.741 1.00 33.42 H new ATOM 0 HB3 GLN A 9 6.937 -2.466 0.904 1.00 33.42 H new ATOM 0 HG2 GLN A 9 8.770 -2.047 -0.714 1.00 42.13 H new ATOM 0 HG3 GLN A 9 8.963 -3.555 0.156 1.00 42.13 H new ATOM 0 HE21 GLN A 9 8.714 -2.042 -2.916 1.00 32.32 H new ATOM 0 HE22 GLN A 9 8.707 -3.504 -3.908 1.00 32.32 H new ATOM 68 N GLU A 10 4.099 -3.559 0.983 1.00 15.35 N ATOM 69 CA GLU A 10 3.074 -3.458 2.016 1.00 74.22 C ATOM 70 C GLU A 10 2.210 -4.716 2.049 1.00 10.24 C ATOM 71 O GLU A 10 1.850 -5.205 3.120 1.00 42.12 O ATOM 72 CB GLU A 10 2.195 -2.229 1.775 1.00 12.02 C ATOM 73 CG GLU A 10 1.231 -1.937 2.913 1.00 24.35 C ATOM 74 CD GLU A 10 -0.177 -1.656 2.428 1.00 74.31 C ATOM 75 OE1 GLU A 10 -0.684 -2.435 1.594 1.00 53.24 O ATOM 76 OE2 GLU A 10 -0.773 -0.657 2.883 1.00 21.32 O ATOM 0 H GLU A 10 3.883 -3.055 0.123 1.00 15.35 H new ATOM 0 HA GLU A 10 3.574 -3.355 2.979 1.00 74.22 H new ATOM 0 HB2 GLU A 10 2.835 -1.360 1.620 1.00 12.02 H new ATOM 0 HB3 GLU A 10 1.626 -2.374 0.857 1.00 12.02 H new ATOM 0 HG2 GLU A 10 1.213 -2.786 3.596 1.00 24.35 H new ATOM 0 HG3 GLU A 10 1.594 -1.080 3.480 1.00 24.35 H new ATOM 83 N GLN A 11 1.881 -5.232 0.870 1.00 63.43 N ATOM 84 CA GLN A 11 1.059 -6.432 0.764 1.00 51.10 C ATOM 85 C GLN A 11 1.672 -7.583 1.554 1.00 34.34 C ATOM 86 O GLN A 11 0.956 -8.408 2.124 1.00 44.03 O ATOM 87 CB GLN A 11 0.894 -6.835 -0.702 1.00 70.13 C ATOM 88 CG GLN A 11 0.308 -5.736 -1.573 1.00 51.34 C ATOM 89 CD GLN A 11 -1.200 -5.635 -1.451 1.00 22.32 C ATOM 90 OE1 GLN A 11 -1.732 -5.410 -0.364 1.00 11.14 O ATOM 91 NE2 GLN A 11 -1.897 -5.802 -2.568 1.00 73.43 N ATOM 0 H GLN A 11 2.171 -4.838 -0.025 1.00 63.43 H new ATOM 0 HA GLN A 11 0.079 -6.208 1.184 1.00 51.10 H new ATOM 0 HB2 GLN A 11 1.866 -7.125 -1.102 1.00 70.13 H new ATOM 0 HB3 GLN A 11 0.251 -7.713 -0.758 1.00 70.13 H new ATOM 0 HG2 GLN A 11 0.756 -4.781 -1.297 1.00 51.34 H new ATOM 0 HG3 GLN A 11 0.573 -5.923 -2.614 1.00 51.34 H new ATOM 0 HE21 GLN A 11 -1.414 -5.987 -3.447 1.00 73.43 H new ATOM 0 HE22 GLN A 11 -2.915 -5.746 -2.547 1.00 73.43 H new ATOM 100 N ARG A 12 2.999 -7.633 1.585 1.00 63.33 N ATOM 101 CA ARG A 12 3.708 -8.685 2.304 1.00 0.11 C ATOM 102 C ARG A 12 3.860 -8.327 3.780 1.00 44.45 C ATOM 103 O ARG A 12 3.647 -9.164 4.657 1.00 53.12 O ATOM 104 CB ARG A 12 5.085 -8.920 1.681 1.00 40.15 C ATOM 105 CG ARG A 12 5.053 -9.814 0.452 1.00 74.12 C ATOM 106 CD ARG A 12 5.186 -11.282 0.827 1.00 1.42 C ATOM 107 NE ARG A 12 3.895 -11.965 0.833 1.00 2.31 N ATOM 108 CZ ARG A 12 3.763 -13.286 0.840 1.00 62.43 C ATOM 109 NH1 ARG A 12 4.838 -14.063 0.842 1.00 74.32 N ATOM 110 NH2 ARG A 12 2.554 -13.834 0.845 1.00 43.41 N ATOM 0 H ARG A 12 3.606 -6.957 1.121 1.00 63.33 H new ATOM 0 HA ARG A 12 3.122 -9.601 2.228 1.00 0.11 H new ATOM 0 HB2 ARG A 12 5.520 -7.958 1.409 1.00 40.15 H new ATOM 0 HB3 ARG A 12 5.741 -9.367 2.428 1.00 40.15 H new ATOM 0 HG2 ARG A 12 4.119 -9.659 -0.088 1.00 74.12 H new ATOM 0 HG3 ARG A 12 5.862 -9.535 -0.223 1.00 74.12 H new ATOM 0 HD2 ARG A 12 5.855 -11.777 0.123 1.00 1.42 H new ATOM 0 HD3 ARG A 12 5.644 -11.364 1.813 1.00 1.42 H new ATOM 0 HE ARG A 12 3.049 -11.396 0.832 1.00 2.31 H new ATOM 0 HH11 ARG A 12 5.769 -13.646 0.838 1.00 74.32 H new ATOM 0 HH12 ARG A 12 4.734 -15.078 0.847 1.00 74.32 H new ATOM 0 HH21 ARG A 12 1.725 -13.240 0.843 1.00 43.41 H new ATOM 0 HH22 ARG A 12 2.454 -14.849 0.850 1.00 43.41 H new ATOM 124 N ILE A 13 4.231 -7.079 4.045 1.00 42.53 N ATOM 125 CA ILE A 13 4.411 -6.610 5.413 1.00 24.11 C ATOM 126 C ILE A 13 3.127 -6.764 6.221 1.00 61.15 C ATOM 127 O ILE A 13 3.162 -7.096 7.406 1.00 1.44 O ATOM 128 CB ILE A 13 4.854 -5.135 5.450 1.00 73.34 C ATOM 129 CG1 ILE A 13 6.244 -5.012 6.077 1.00 34.45 C ATOM 130 CG2 ILE A 13 3.843 -4.298 6.219 1.00 20.22 C ATOM 131 CD1 ILE A 13 7.335 -4.708 5.075 1.00 13.41 C ATOM 0 H ILE A 13 4.413 -6.374 3.330 1.00 42.53 H new ATOM 0 HA ILE A 13 5.193 -7.226 5.857 1.00 24.11 H new ATOM 0 HB ILE A 13 4.904 -4.760 4.428 1.00 73.34 H new ATOM 0 HG12 ILE A 13 6.225 -4.225 6.831 1.00 34.45 H new ATOM 0 HG13 ILE A 13 6.484 -5.942 6.593 1.00 34.45 H new ATOM 0 HG21 ILE A 13 4.170 -3.258 6.237 1.00 20.22 H new ATOM 0 HG22 ILE A 13 2.870 -4.364 5.732 1.00 20.22 H new ATOM 0 HG23 ILE A 13 3.764 -4.671 7.240 1.00 20.22 H new ATOM 0 HD11 ILE A 13 8.293 -4.635 5.591 1.00 13.41 H new ATOM 0 HD12 ILE A 13 7.382 -5.506 4.334 1.00 13.41 H new ATOM 0 HD13 ILE A 13 7.118 -3.763 4.577 1.00 13.41 H new ATOM 143 N LEU A 14 1.994 -6.523 5.571 1.00 71.35 N ATOM 144 CA LEU A 14 0.696 -6.637 6.227 1.00 1.02 C ATOM 145 C LEU A 14 0.351 -8.097 6.503 1.00 64.12 C ATOM 146 O LEU A 14 -0.059 -8.452 7.608 1.00 12.41 O ATOM 147 CB LEU A 14 -0.393 -5.998 5.363 1.00 65.51 C ATOM 148 CG LEU A 14 -0.435 -4.470 5.357 1.00 3.03 C ATOM 149 CD1 LEU A 14 -1.449 -3.968 4.341 1.00 4.33 C ATOM 150 CD2 LEU A 14 -0.761 -3.940 6.746 1.00 32.40 C ATOM 0 H LEU A 14 1.948 -6.247 4.590 1.00 71.35 H new ATOM 0 HA LEU A 14 0.751 -6.110 7.179 1.00 1.02 H new ATOM 0 HB2 LEU A 14 -0.263 -6.342 4.337 1.00 65.51 H new ATOM 0 HB3 LEU A 14 -1.361 -6.367 5.702 1.00 65.51 H new ATOM 0 HG LEU A 14 0.549 -4.100 5.071 1.00 3.03 H new ATOM 0 HD11 LEU A 14 -1.465 -2.878 4.351 1.00 4.33 H new ATOM 0 HD12 LEU A 14 -1.172 -4.318 3.347 1.00 4.33 H new ATOM 0 HD13 LEU A 14 -2.438 -4.348 4.596 1.00 4.33 H new ATOM 0 HD21 LEU A 14 -0.787 -2.851 6.723 1.00 32.40 H new ATOM 0 HD22 LEU A 14 -1.733 -4.319 7.061 1.00 32.40 H new ATOM 0 HD23 LEU A 14 0.003 -4.270 7.450 1.00 32.40 H new ATOM 162 N LYS A 15 0.523 -8.941 5.491 1.00 21.22 N ATOM 163 CA LYS A 15 0.234 -10.364 5.624 1.00 70.20 C ATOM 164 C LYS A 15 1.231 -11.037 6.562 1.00 12.45 C ATOM 165 O LYS A 15 0.965 -12.112 7.100 1.00 73.15 O ATOM 166 CB LYS A 15 0.270 -11.043 4.253 1.00 63.11 C ATOM 167 CG LYS A 15 -0.410 -12.401 4.228 1.00 1.14 C ATOM 168 CD LYS A 15 -1.921 -12.269 4.319 1.00 21.55 C ATOM 169 CE LYS A 15 -2.547 -12.072 2.947 1.00 1.44 C ATOM 170 NZ LYS A 15 -4.011 -12.344 2.961 1.00 22.22 N ATOM 0 H LYS A 15 0.861 -8.664 4.569 1.00 21.22 H new ATOM 0 HA LYS A 15 -0.765 -10.468 6.049 1.00 70.20 H new ATOM 0 HB2 LYS A 15 -0.210 -10.392 3.522 1.00 63.11 H new ATOM 0 HB3 LYS A 15 1.308 -11.160 3.942 1.00 63.11 H new ATOM 0 HG2 LYS A 15 -0.144 -12.925 3.310 1.00 1.14 H new ATOM 0 HG3 LYS A 15 -0.046 -13.007 5.058 1.00 1.14 H new ATOM 0 HD2 LYS A 15 -2.338 -13.162 4.785 1.00 21.55 H new ATOM 0 HD3 LYS A 15 -2.176 -11.426 4.961 1.00 21.55 H new ATOM 0 HE2 LYS A 15 -2.371 -11.050 2.611 1.00 1.44 H new ATOM 0 HE3 LYS A 15 -2.062 -12.732 2.228 1.00 1.44 H new ATOM 0 HZ1 LYS A 15 -4.400 -12.199 2.008 1.00 22.22 H new ATOM 0 HZ2 LYS A 15 -4.179 -13.327 3.257 1.00 22.22 H new ATOM 0 HZ3 LYS A 15 -4.478 -11.697 3.628 1.00 22.22 H new ATOM 184 N PHE A 16 2.379 -10.396 6.757 1.00 54.22 N ATOM 185 CA PHE A 16 3.415 -10.932 7.631 1.00 21.13 C ATOM 186 C PHE A 16 2.987 -10.855 9.094 1.00 55.53 C ATOM 187 O PHE A 16 2.977 -11.861 9.804 1.00 13.10 O ATOM 188 CB PHE A 16 4.726 -10.169 7.431 1.00 1.02 C ATOM 189 CG PHE A 16 5.794 -10.542 8.420 1.00 73.04 C ATOM 190 CD1 PHE A 16 6.307 -11.828 8.452 1.00 65.42 C ATOM 191 CD2 PHE A 16 6.284 -9.606 9.316 1.00 30.20 C ATOM 192 CE1 PHE A 16 7.289 -12.174 9.361 1.00 63.41 C ATOM 193 CE2 PHE A 16 7.266 -9.946 10.227 1.00 22.22 C ATOM 194 CZ PHE A 16 7.770 -11.232 10.249 1.00 42.12 C ATOM 0 H PHE A 16 2.615 -9.504 6.321 1.00 54.22 H new ATOM 0 HA PHE A 16 3.568 -11.979 7.370 1.00 21.13 H new ATOM 0 HB2 PHE A 16 5.095 -10.355 6.422 1.00 1.02 H new ATOM 0 HB3 PHE A 16 4.530 -9.099 7.506 1.00 1.02 H new ATOM 0 HD1 PHE A 16 5.936 -12.569 7.759 1.00 65.42 H new ATOM 0 HD2 PHE A 16 5.894 -8.599 9.302 1.00 30.20 H new ATOM 0 HE1 PHE A 16 7.680 -13.181 9.377 1.00 63.41 H new ATOM 0 HE2 PHE A 16 7.639 -9.207 10.921 1.00 22.22 H new ATOM 0 HZ PHE A 16 8.538 -11.500 10.959 1.00 42.12 H new ATOM 204 N LEU A 17 2.633 -9.653 9.537 1.00 25.24 N ATOM 205 CA LEU A 17 2.204 -9.442 10.916 1.00 61.44 C ATOM 206 C LEU A 17 0.948 -10.251 11.224 1.00 12.42 C ATOM 207 O LEU A 17 0.787 -10.767 12.329 1.00 22.33 O ATOM 208 CB LEU A 17 1.943 -7.956 11.168 1.00 70.45 C ATOM 209 CG LEU A 17 0.677 -7.380 10.532 1.00 31.24 C ATOM 210 CD1 LEU A 17 -0.374 -7.101 11.596 1.00 41.34 C ATOM 211 CD2 LEU A 17 1.000 -6.114 9.753 1.00 10.33 C ATOM 0 H LEU A 17 2.635 -8.810 8.962 1.00 25.24 H new ATOM 0 HA LEU A 17 3.003 -9.780 11.576 1.00 61.44 H new ATOM 0 HB2 LEU A 17 1.891 -7.794 12.245 1.00 70.45 H new ATOM 0 HB3 LEU A 17 2.799 -7.390 10.802 1.00 70.45 H new ATOM 0 HG LEU A 17 0.274 -8.117 9.837 1.00 31.24 H new ATOM 0 HD11 LEU A 17 -1.268 -6.692 11.126 1.00 41.34 H new ATOM 0 HD12 LEU A 17 -0.627 -8.028 12.110 1.00 41.34 H new ATOM 0 HD13 LEU A 17 0.019 -6.383 12.316 1.00 41.34 H new ATOM 0 HD21 LEU A 17 0.087 -5.718 9.307 1.00 10.33 H new ATOM 0 HD22 LEU A 17 1.427 -5.371 10.427 1.00 10.33 H new ATOM 0 HD23 LEU A 17 1.718 -6.344 8.966 1.00 10.33 H new ATOM 223 N GLU A 18 0.062 -10.357 10.239 1.00 14.30 N ATOM 224 CA GLU A 18 -1.180 -11.104 10.406 1.00 5.41 C ATOM 225 C GLU A 18 -0.928 -12.606 10.309 1.00 2.42 C ATOM 226 O GLU A 18 -1.752 -13.412 10.738 1.00 13.14 O ATOM 227 CB GLU A 18 -2.203 -10.678 9.351 1.00 0.13 C ATOM 228 CG GLU A 18 -2.776 -9.290 9.584 1.00 4.11 C ATOM 229 CD GLU A 18 -4.113 -9.088 8.899 1.00 32.11 C ATOM 230 OE1 GLU A 18 -4.178 -9.257 7.663 1.00 4.13 O ATOM 231 OE2 GLU A 18 -5.095 -8.761 9.598 1.00 71.51 O ATOM 0 H GLU A 18 0.181 -9.936 9.318 1.00 14.30 H new ATOM 0 HA GLU A 18 -1.577 -10.883 11.397 1.00 5.41 H new ATOM 0 HB2 GLU A 18 -1.732 -10.707 8.368 1.00 0.13 H new ATOM 0 HB3 GLU A 18 -3.019 -11.401 9.336 1.00 0.13 H new ATOM 0 HG2 GLU A 18 -2.892 -9.124 10.655 1.00 4.11 H new ATOM 0 HG3 GLU A 18 -2.069 -8.544 9.221 1.00 4.11 H new ATOM 238 N GLU A 19 0.217 -12.973 9.742 1.00 50.53 N ATOM 239 CA GLU A 19 0.576 -14.377 9.587 1.00 25.22 C ATOM 240 C GLU A 19 1.056 -14.965 10.911 1.00 2.13 C ATOM 241 O GLU A 19 1.087 -16.184 11.088 1.00 15.51 O ATOM 242 CB GLU A 19 1.665 -14.534 8.523 1.00 74.10 C ATOM 243 CG GLU A 19 2.286 -15.920 8.488 1.00 64.01 C ATOM 244 CD GLU A 19 3.202 -16.119 7.296 1.00 40.34 C ATOM 245 OE1 GLU A 19 3.673 -15.108 6.734 1.00 63.02 O ATOM 246 OE2 GLU A 19 3.447 -17.286 6.925 1.00 43.22 O ATOM 0 H GLU A 19 0.911 -12.318 9.383 1.00 50.53 H new ATOM 0 HA GLU A 19 -0.314 -14.920 9.269 1.00 25.22 H new ATOM 0 HB2 GLU A 19 1.240 -14.311 7.544 1.00 74.10 H new ATOM 0 HB3 GLU A 19 2.448 -13.799 8.706 1.00 74.10 H new ATOM 0 HG2 GLU A 19 2.850 -16.085 9.406 1.00 64.01 H new ATOM 0 HG3 GLU A 19 1.494 -16.668 8.462 1.00 64.01 H new ATOM 253 N LEU A 20 1.431 -14.090 11.838 1.00 32.55 N ATOM 254 CA LEU A 20 1.910 -14.521 13.147 1.00 20.33 C ATOM 255 C LEU A 20 0.958 -14.071 14.251 1.00 61.21 C ATOM 256 O LEU A 20 0.740 -14.787 15.227 1.00 24.42 O ATOM 257 CB LEU A 20 3.311 -13.965 13.408 1.00 52.31 C ATOM 258 CG LEU A 20 3.395 -12.464 13.691 1.00 31.42 C ATOM 259 CD1 LEU A 20 3.294 -12.197 15.185 1.00 44.21 C ATOM 260 CD2 LEU A 20 4.686 -11.887 13.130 1.00 62.22 C ATOM 0 H LEU A 20 1.413 -13.079 11.708 1.00 32.55 H new ATOM 0 HA LEU A 20 1.952 -15.610 13.150 1.00 20.33 H new ATOM 0 HB2 LEU A 20 3.740 -14.499 14.256 1.00 52.31 H new ATOM 0 HB3 LEU A 20 3.935 -14.187 12.543 1.00 52.31 H new ATOM 0 HG LEU A 20 2.557 -11.973 13.197 1.00 31.42 H new ATOM 0 HD11 LEU A 20 3.356 -11.124 15.368 1.00 44.21 H new ATOM 0 HD12 LEU A 20 2.342 -12.575 15.559 1.00 44.21 H new ATOM 0 HD13 LEU A 20 4.112 -12.700 15.701 1.00 44.21 H new ATOM 0 HD21 LEU A 20 4.729 -10.818 13.341 1.00 62.22 H new ATOM 0 HD22 LEU A 20 5.538 -12.383 13.595 1.00 62.22 H new ATOM 0 HD23 LEU A 20 4.717 -12.046 12.052 1.00 62.22 H new ATOM 272 N GLY A 21 0.391 -12.880 14.087 1.00 4.43 N ATOM 273 CA GLY A 21 -0.532 -12.355 15.076 1.00 34.42 C ATOM 274 C GLY A 21 -0.731 -10.858 14.948 1.00 73.24 C ATOM 275 O GLY A 21 0.209 -10.084 15.121 1.00 23.12 O ATOM 0 H GLY A 21 0.554 -12.269 13.287 1.00 4.43 H new ATOM 0 HA2 GLY A 21 -1.494 -12.856 14.972 1.00 34.42 H new ATOM 0 HA3 GLY A 21 -0.159 -12.585 16.074 1.00 34.42 H new ATOM 279 N GLU A 22 -1.959 -10.450 14.641 1.00 43.10 N ATOM 280 CA GLU A 22 -2.276 -9.035 14.487 1.00 71.02 C ATOM 281 C GLU A 22 -2.183 -8.308 15.825 1.00 42.40 C ATOM 282 O GLU A 22 -2.978 -8.550 16.732 1.00 3.42 O ATOM 283 CB GLU A 22 -3.678 -8.865 13.898 1.00 33.33 C ATOM 284 CG GLU A 22 -3.931 -7.485 13.316 1.00 41.11 C ATOM 285 CD GLU A 22 -4.047 -6.414 14.383 1.00 55.10 C ATOM 286 OE1 GLU A 22 -4.695 -6.675 15.418 1.00 1.02 O ATOM 287 OE2 GLU A 22 -3.490 -5.314 14.182 1.00 34.22 O ATOM 0 H GLU A 22 -2.749 -11.078 14.494 1.00 43.10 H new ATOM 0 HA GLU A 22 -1.547 -8.598 13.804 1.00 71.02 H new ATOM 0 HB2 GLU A 22 -3.828 -9.612 13.118 1.00 33.33 H new ATOM 0 HB3 GLU A 22 -4.416 -9.063 14.675 1.00 33.33 H new ATOM 0 HG2 GLU A 22 -3.120 -7.228 12.635 1.00 41.11 H new ATOM 0 HG3 GLU A 22 -4.848 -7.506 12.726 1.00 41.11 H new ATOM 294 N GLY A 23 -1.204 -7.415 15.940 1.00 53.43 N ATOM 295 CA GLY A 23 -1.024 -6.666 17.170 1.00 43.13 C ATOM 296 C GLY A 23 0.128 -7.190 18.004 1.00 60.40 C ATOM 297 O GLY A 23 0.208 -6.924 19.203 1.00 31.24 O ATOM 0 H GLY A 23 -0.533 -7.197 15.203 1.00 53.43 H new ATOM 0 HA2 GLY A 23 -0.848 -5.617 16.931 1.00 43.13 H new ATOM 0 HA3 GLY A 23 -1.942 -6.709 17.756 1.00 43.13 H new ATOM 301 N LYS A 24 1.023 -7.940 17.369 1.00 32.13 N ATOM 302 CA LYS A 24 2.176 -8.505 18.060 1.00 43.32 C ATOM 303 C LYS A 24 3.474 -7.899 17.535 1.00 24.42 C ATOM 304 O LYS A 24 3.457 -7.021 16.673 1.00 32.33 O ATOM 305 CB LYS A 24 2.205 -10.025 17.889 1.00 33.32 C ATOM 306 CG LYS A 24 1.210 -10.755 18.775 1.00 23.52 C ATOM 307 CD LYS A 24 1.162 -12.240 18.454 1.00 5.12 C ATOM 308 CE LYS A 24 2.167 -13.023 19.286 1.00 41.43 C ATOM 309 NZ LYS A 24 1.721 -14.424 19.520 1.00 41.00 N ATOM 0 H LYS A 24 0.972 -8.171 16.377 1.00 32.13 H new ATOM 0 HA LYS A 24 2.086 -8.267 19.120 1.00 43.32 H new ATOM 0 HB2 LYS A 24 1.998 -10.269 16.847 1.00 33.32 H new ATOM 0 HB3 LYS A 24 3.209 -10.388 18.109 1.00 33.32 H new ATOM 0 HG2 LYS A 24 1.483 -10.617 19.821 1.00 23.52 H new ATOM 0 HG3 LYS A 24 0.219 -10.321 18.644 1.00 23.52 H new ATOM 0 HD2 LYS A 24 0.158 -12.621 18.640 1.00 5.12 H new ATOM 0 HD3 LYS A 24 1.369 -12.391 17.395 1.00 5.12 H new ATOM 0 HE2 LYS A 24 3.132 -13.029 18.779 1.00 41.43 H new ATOM 0 HE3 LYS A 24 2.313 -12.524 20.244 1.00 41.43 H new ATOM 0 HZ1 LYS A 24 2.432 -14.924 20.090 1.00 41.00 H new ATOM 0 HZ2 LYS A 24 0.813 -14.419 20.026 1.00 41.00 H new ATOM 0 HZ3 LYS A 24 1.606 -14.909 18.607 1.00 41.00 H new ATOM 323 N ALA A 25 4.599 -8.376 18.060 1.00 54.21 N ATOM 324 CA ALA A 25 5.905 -7.884 17.642 1.00 44.24 C ATOM 325 C ALA A 25 6.631 -8.914 16.783 1.00 73.22 C ATOM 326 O ALA A 25 6.173 -10.048 16.634 1.00 12.32 O ATOM 327 CB ALA A 25 6.746 -7.521 18.857 1.00 42.44 C ATOM 0 H ALA A 25 4.631 -9.102 18.775 1.00 54.21 H new ATOM 0 HA ALA A 25 5.752 -6.989 17.039 1.00 44.24 H new ATOM 0 HB1 ALA A 25 7.719 -7.155 18.530 1.00 42.44 H new ATOM 0 HB2 ALA A 25 6.240 -6.744 19.431 1.00 42.44 H new ATOM 0 HB3 ALA A 25 6.882 -8.403 19.482 1.00 42.44 H new ATOM 333 N THR A 26 7.765 -8.513 16.218 1.00 64.54 N ATOM 334 CA THR A 26 8.553 -9.401 15.372 1.00 62.31 C ATOM 335 C THR A 26 10.022 -8.993 15.364 1.00 30.33 C ATOM 336 O THR A 26 10.390 -7.949 15.902 1.00 3.44 O ATOM 337 CB THR A 26 8.027 -9.411 13.924 1.00 3.11 C ATOM 338 OG1 THR A 26 8.693 -10.429 13.168 1.00 12.30 O ATOM 339 CG2 THR A 26 8.241 -8.058 13.262 1.00 63.33 C ATOM 0 H THR A 26 8.159 -7.579 16.331 1.00 64.54 H new ATOM 0 HA THR A 26 8.459 -10.403 15.792 1.00 62.31 H new ATOM 0 HB THR A 26 6.958 -9.620 13.950 1.00 3.11 H new ATOM 0 HG1 THR A 26 8.353 -10.430 12.249 1.00 12.30 H new ATOM 0 HG21 THR A 26 7.862 -8.089 12.240 1.00 63.33 H new ATOM 0 HG22 THR A 26 7.709 -7.290 13.823 1.00 63.33 H new ATOM 0 HG23 THR A 26 9.306 -7.825 13.247 1.00 63.33 H new ATOM 347 N THR A 27 10.859 -9.824 14.750 1.00 0.21 N ATOM 348 CA THR A 27 12.288 -9.550 14.673 1.00 43.32 C ATOM 349 C THR A 27 12.774 -9.566 13.228 1.00 52.41 C ATOM 350 O THR A 27 12.065 -10.020 12.330 1.00 25.22 O ATOM 351 CB THR A 27 13.102 -10.573 15.487 1.00 34.51 C ATOM 352 OG1 THR A 27 12.998 -11.870 14.888 1.00 50.35 O ATOM 353 CG2 THR A 27 12.610 -10.634 16.926 1.00 43.24 C ATOM 0 H THR A 27 10.571 -10.692 14.299 1.00 0.21 H new ATOM 0 HA THR A 27 12.442 -8.557 15.095 1.00 43.32 H new ATOM 0 HB THR A 27 14.145 -10.256 15.488 1.00 34.51 H new ATOM 0 HG1 THR A 27 13.520 -12.514 15.410 1.00 50.35 H new ATOM 0 HG21 THR A 27 13.200 -11.363 17.482 1.00 43.24 H new ATOM 0 HG22 THR A 27 12.716 -9.653 17.389 1.00 43.24 H new ATOM 0 HG23 THR A 27 11.561 -10.930 16.940 1.00 43.24 H new ATOM 361 N ALA A 28 13.986 -9.067 13.010 1.00 24.15 N ATOM 362 CA ALA A 28 14.568 -9.027 11.674 1.00 14.13 C ATOM 363 C ALA A 28 14.776 -10.434 11.124 1.00 50.42 C ATOM 364 O ALA A 28 14.402 -10.728 9.988 1.00 23.40 O ATOM 365 CB ALA A 28 15.885 -8.265 11.694 1.00 34.33 C ATOM 0 H ALA A 28 14.585 -8.684 13.742 1.00 24.15 H new ATOM 0 HA ALA A 28 13.871 -8.507 11.016 1.00 14.13 H new ATOM 0 HB1 ALA A 28 16.308 -8.243 10.690 1.00 34.33 H new ATOM 0 HB2 ALA A 28 15.710 -7.245 12.036 1.00 34.33 H new ATOM 0 HB3 ALA A 28 16.582 -8.760 12.370 1.00 34.33 H new ATOM 371 N HIS A 29 15.376 -11.299 11.935 1.00 15.04 N ATOM 372 CA HIS A 29 15.634 -12.676 11.529 1.00 52.32 C ATOM 373 C HIS A 29 14.355 -13.345 11.033 1.00 44.32 C ATOM 374 O HIS A 29 14.391 -14.182 10.131 1.00 50.55 O ATOM 375 CB HIS A 29 16.221 -13.472 12.694 1.00 20.42 C ATOM 376 CG HIS A 29 17.674 -13.201 12.933 1.00 4.34 C ATOM 377 ND1 HIS A 29 18.684 -13.888 12.293 1.00 52.10 N ATOM 378 CD2 HIS A 29 18.286 -12.309 13.748 1.00 40.15 C ATOM 379 CE1 HIS A 29 19.854 -13.432 12.704 1.00 15.21 C ATOM 380 NE2 HIS A 29 19.640 -12.473 13.587 1.00 51.32 N ATOM 0 H HIS A 29 15.693 -11.071 12.877 1.00 15.04 H new ATOM 0 HA HIS A 29 16.355 -12.659 10.711 1.00 52.32 H new ATOM 0 HB2 HIS A 29 15.663 -13.239 13.601 1.00 20.42 H new ATOM 0 HB3 HIS A 29 16.085 -14.536 12.501 1.00 20.42 H new ATOM 0 HD2 HIS A 29 17.800 -11.601 14.403 1.00 40.15 H new ATOM 0 HE1 HIS A 29 20.821 -13.783 12.374 1.00 15.21 H new ATOM 0 HE2 HIS A 29 20.363 -11.941 14.071 1.00 51.32 H new ATOM 388 N ASP A 30 13.228 -12.971 11.629 1.00 45.23 N ATOM 389 CA ASP A 30 11.939 -13.534 11.247 1.00 34.34 C ATOM 390 C ASP A 30 11.388 -12.840 10.005 1.00 22.34 C ATOM 391 O ASP A 30 10.644 -13.437 9.226 1.00 63.12 O ATOM 392 CB ASP A 30 10.942 -13.409 12.401 1.00 41.42 C ATOM 393 CG ASP A 30 9.834 -14.440 12.323 1.00 31.24 C ATOM 394 OD1 ASP A 30 10.135 -15.614 12.021 1.00 44.13 O ATOM 395 OD2 ASP A 30 8.665 -14.074 12.566 1.00 21.25 O ATOM 0 H ASP A 30 13.181 -12.281 12.378 1.00 45.23 H new ATOM 0 HA ASP A 30 12.086 -14.589 11.016 1.00 34.34 H new ATOM 0 HB2 ASP A 30 11.471 -13.519 13.348 1.00 41.42 H new ATOM 0 HB3 ASP A 30 10.506 -12.410 12.394 1.00 41.42 H new ATOM 400 N LEU A 31 11.757 -11.577 9.828 1.00 44.34 N ATOM 401 CA LEU A 31 11.300 -10.800 8.681 1.00 60.05 C ATOM 402 C LEU A 31 11.949 -11.297 7.393 1.00 71.13 C ATOM 403 O LEU A 31 11.270 -11.804 6.499 1.00 4.33 O ATOM 404 CB LEU A 31 11.616 -9.317 8.885 1.00 72.31 C ATOM 405 CG LEU A 31 10.643 -8.540 9.772 1.00 53.11 C ATOM 406 CD1 LEU A 31 11.359 -7.398 10.477 1.00 74.22 C ATOM 407 CD2 LEU A 31 9.476 -8.013 8.949 1.00 32.14 C ATOM 0 H LEU A 31 12.371 -11.069 10.464 1.00 44.34 H new ATOM 0 HA LEU A 31 10.221 -10.927 8.595 1.00 60.05 H new ATOM 0 HB2 LEU A 31 12.614 -9.235 9.315 1.00 72.31 H new ATOM 0 HB3 LEU A 31 11.650 -8.835 7.908 1.00 72.31 H new ATOM 0 HG LEU A 31 10.251 -9.218 10.530 1.00 53.11 H new ATOM 0 HD11 LEU A 31 10.651 -6.856 11.104 1.00 74.22 H new ATOM 0 HD12 LEU A 31 12.160 -7.799 11.098 1.00 74.22 H new ATOM 0 HD13 LEU A 31 11.780 -6.719 9.735 1.00 74.22 H new ATOM 0 HD21 LEU A 31 8.793 -7.463 9.596 1.00 32.14 H new ATOM 0 HD22 LEU A 31 9.851 -7.350 8.169 1.00 32.14 H new ATOM 0 HD23 LEU A 31 8.947 -8.849 8.491 1.00 32.14 H new ATOM 419 N SER A 32 13.267 -11.150 7.305 1.00 21.45 N ATOM 420 CA SER A 32 14.008 -11.583 6.126 1.00 0.03 C ATOM 421 C SER A 32 13.841 -13.082 5.899 1.00 34.34 C ATOM 422 O SER A 32 13.941 -13.566 4.773 1.00 72.13 O ATOM 423 CB SER A 32 15.492 -11.241 6.276 1.00 14.23 C ATOM 424 OG SER A 32 15.679 -10.169 7.185 1.00 74.43 O ATOM 0 H SER A 32 13.844 -10.734 8.036 1.00 21.45 H new ATOM 0 HA SER A 32 13.606 -11.055 5.261 1.00 0.03 H new ATOM 0 HB2 SER A 32 16.037 -12.118 6.626 1.00 14.23 H new ATOM 0 HB3 SER A 32 15.907 -10.974 5.304 1.00 14.23 H new ATOM 0 HG SER A 32 16.635 -9.971 7.265 1.00 74.43 H new ATOM 430 N GLY A 33 13.585 -13.813 6.980 1.00 33.33 N ATOM 431 CA GLY A 33 13.407 -15.250 6.879 1.00 25.12 C ATOM 432 C GLY A 33 12.041 -15.630 6.344 1.00 11.51 C ATOM 433 O GLY A 33 11.932 -16.345 5.348 1.00 42.32 O ATOM 0 H GLY A 33 13.498 -13.436 7.924 1.00 33.33 H new ATOM 0 HA2 GLY A 33 14.177 -15.663 6.227 1.00 25.12 H new ATOM 0 HA3 GLY A 33 13.547 -15.700 7.862 1.00 25.12 H new ATOM 437 N LYS A 34 10.994 -15.151 7.008 1.00 72.34 N ATOM 438 CA LYS A 34 9.627 -15.444 6.594 1.00 34.01 C ATOM 439 C LYS A 34 9.319 -14.809 5.242 1.00 42.50 C ATOM 440 O LYS A 34 8.820 -15.472 4.332 1.00 50.21 O ATOM 441 CB LYS A 34 8.635 -14.939 7.644 1.00 10.44 C ATOM 442 CG LYS A 34 8.748 -15.652 8.980 1.00 34.25 C ATOM 443 CD LYS A 34 8.186 -17.062 8.909 1.00 62.35 C ATOM 444 CE LYS A 34 6.678 -17.073 9.105 1.00 10.54 C ATOM 445 NZ LYS A 34 6.304 -16.896 10.536 1.00 22.30 N ATOM 0 H LYS A 34 11.066 -14.558 7.835 1.00 72.34 H new ATOM 0 HA LYS A 34 9.527 -16.525 6.499 1.00 34.01 H new ATOM 0 HB2 LYS A 34 8.793 -13.871 7.797 1.00 10.44 H new ATOM 0 HB3 LYS A 34 7.621 -15.060 7.262 1.00 10.44 H new ATOM 0 HG2 LYS A 34 9.794 -15.691 9.285 1.00 34.25 H new ATOM 0 HG3 LYS A 34 8.214 -15.085 9.743 1.00 34.25 H new ATOM 0 HD2 LYS A 34 8.431 -17.504 7.943 1.00 62.35 H new ATOM 0 HD3 LYS A 34 8.657 -17.681 9.672 1.00 62.35 H new ATOM 0 HE2 LYS A 34 6.229 -16.277 8.511 1.00 10.54 H new ATOM 0 HE3 LYS A 34 6.271 -18.015 8.737 1.00 10.54 H new ATOM 0 HZ1 LYS A 34 5.278 -17.027 10.645 1.00 22.30 H new ATOM 0 HZ2 LYS A 34 6.807 -17.598 11.116 1.00 22.30 H new ATOM 0 HZ3 LYS A 34 6.566 -15.939 10.847 1.00 22.30 H new ATOM 459 N LEU A 35 9.621 -13.521 5.116 1.00 22.13 N ATOM 460 CA LEU A 35 9.379 -12.796 3.874 1.00 74.01 C ATOM 461 C LEU A 35 10.238 -13.351 2.743 1.00 60.24 C ATOM 462 O LEU A 35 9.924 -13.174 1.566 1.00 31.14 O ATOM 463 CB LEU A 35 9.667 -11.306 4.065 1.00 24.11 C ATOM 464 CG LEU A 35 8.897 -10.612 5.189 1.00 52.24 C ATOM 465 CD1 LEU A 35 9.355 -9.169 5.338 1.00 72.32 C ATOM 466 CD2 LEU A 35 7.399 -10.673 4.925 1.00 23.33 C ATOM 0 H LEU A 35 10.034 -12.958 5.859 1.00 22.13 H new ATOM 0 HA LEU A 35 8.330 -12.925 3.606 1.00 74.01 H new ATOM 0 HB2 LEU A 35 10.734 -11.184 4.253 1.00 24.11 H new ATOM 0 HB3 LEU A 35 9.447 -10.791 3.130 1.00 24.11 H new ATOM 0 HG LEU A 35 9.104 -11.136 6.122 1.00 52.24 H new ATOM 0 HD11 LEU A 35 8.796 -8.691 6.143 1.00 72.32 H new ATOM 0 HD12 LEU A 35 10.419 -9.147 5.573 1.00 72.32 H new ATOM 0 HD13 LEU A 35 9.178 -8.633 4.405 1.00 72.32 H new ATOM 0 HD21 LEU A 35 6.866 -10.174 5.735 1.00 23.33 H new ATOM 0 HD22 LEU A 35 7.175 -10.174 3.982 1.00 23.33 H new ATOM 0 HD23 LEU A 35 7.082 -11.714 4.869 1.00 23.33 H new ATOM 478 N GLY A 36 11.324 -14.026 3.108 1.00 60.14 N ATOM 479 CA GLY A 36 12.211 -14.599 2.112 1.00 51.11 C ATOM 480 C GLY A 36 12.911 -13.541 1.282 1.00 74.24 C ATOM 481 O GLY A 36 13.398 -13.822 0.186 1.00 71.10 O ATOM 0 H GLY A 36 11.605 -14.186 4.075 1.00 60.14 H new ATOM 0 HA2 GLY A 36 12.957 -15.220 2.608 1.00 51.11 H new ATOM 0 HA3 GLY A 36 11.639 -15.253 1.454 1.00 51.11 H new ATOM 485 N THR A 37 12.960 -12.319 1.803 1.00 62.05 N ATOM 486 CA THR A 37 13.603 -11.215 1.101 1.00 14.21 C ATOM 487 C THR A 37 15.046 -11.038 1.558 1.00 20.34 C ATOM 488 O THR A 37 15.441 -11.488 2.634 1.00 0.34 O ATOM 489 CB THR A 37 12.842 -9.893 1.318 1.00 0.02 C ATOM 490 OG1 THR A 37 12.140 -9.931 2.566 1.00 43.22 O ATOM 491 CG2 THR A 37 11.859 -9.642 0.185 1.00 73.01 C ATOM 0 H THR A 37 12.562 -12.069 2.708 1.00 62.05 H new ATOM 0 HA THR A 37 13.589 -11.464 0.040 1.00 14.21 H new ATOM 0 HB THR A 37 13.568 -9.080 1.334 1.00 0.02 H new ATOM 0 HG1 THR A 37 11.660 -9.087 2.697 1.00 43.22 H new ATOM 0 HG21 THR A 37 11.334 -8.703 0.360 1.00 73.01 H new ATOM 0 HG22 THR A 37 12.400 -9.584 -0.760 1.00 73.01 H new ATOM 0 HG23 THR A 37 11.138 -10.458 0.141 1.00 73.01 H new ATOM 499 N PRO A 38 15.854 -10.368 0.724 1.00 42.12 N ATOM 500 CA PRO A 38 17.267 -10.116 1.022 1.00 0.44 C ATOM 501 C PRO A 38 17.450 -9.116 2.159 1.00 13.23 C ATOM 502 O PRO A 38 16.558 -8.317 2.447 1.00 31.21 O ATOM 503 CB PRO A 38 17.809 -9.540 -0.288 1.00 43.12 C ATOM 504 CG PRO A 38 16.621 -8.942 -0.959 1.00 43.33 C ATOM 505 CD PRO A 38 15.451 -9.804 -0.575 1.00 71.13 C ATOM 0 HA PRO A 38 17.781 -11.019 1.351 1.00 0.44 H new ATOM 0 HB2 PRO A 38 18.578 -8.790 -0.103 1.00 43.12 H new ATOM 0 HB3 PRO A 38 18.263 -10.316 -0.904 1.00 43.12 H new ATOM 0 HG2 PRO A 38 16.469 -7.912 -0.637 1.00 43.33 H new ATOM 0 HG3 PRO A 38 16.753 -8.922 -2.041 1.00 43.33 H new ATOM 0 HD2 PRO A 38 14.533 -9.222 -0.493 1.00 71.13 H new ATOM 0 HD3 PRO A 38 15.268 -10.585 -1.313 1.00 71.13 H new ATOM 513 N LYS A 39 18.611 -9.165 2.803 1.00 41.41 N ATOM 514 CA LYS A 39 18.912 -8.262 3.908 1.00 65.22 C ATOM 515 C LYS A 39 18.849 -6.807 3.455 1.00 71.12 C ATOM 516 O LYS A 39 18.591 -5.907 4.255 1.00 74.53 O ATOM 517 CB LYS A 39 20.298 -8.569 4.480 1.00 21.04 C ATOM 518 CG LYS A 39 20.284 -9.619 5.578 1.00 71.13 C ATOM 519 CD LYS A 39 21.584 -9.622 6.363 1.00 24.35 C ATOM 520 CE LYS A 39 21.554 -10.647 7.487 1.00 23.01 C ATOM 521 NZ LYS A 39 22.021 -11.985 7.030 1.00 22.21 N ATOM 0 H LYS A 39 19.359 -9.821 2.579 1.00 41.41 H new ATOM 0 HA LYS A 39 18.162 -8.415 4.684 1.00 65.22 H new ATOM 0 HB2 LYS A 39 20.948 -8.908 3.673 1.00 21.04 H new ATOM 0 HB3 LYS A 39 20.731 -7.650 4.874 1.00 21.04 H new ATOM 0 HG2 LYS A 39 19.450 -9.429 6.254 1.00 71.13 H new ATOM 0 HG3 LYS A 39 20.121 -10.603 5.139 1.00 71.13 H new ATOM 0 HD2 LYS A 39 22.415 -9.840 5.692 1.00 24.35 H new ATOM 0 HD3 LYS A 39 21.762 -8.630 6.778 1.00 24.35 H new ATOM 0 HE2 LYS A 39 22.183 -10.304 8.308 1.00 23.01 H new ATOM 0 HE3 LYS A 39 20.539 -10.730 7.876 1.00 23.01 H new ATOM 0 HZ1 LYS A 39 21.986 -12.655 7.825 1.00 22.21 H new ATOM 0 HZ2 LYS A 39 21.406 -12.324 6.263 1.00 22.21 H new ATOM 0 HZ3 LYS A 39 22.998 -11.911 6.682 1.00 22.21 H new ATOM 535 N LYS A 40 19.085 -6.582 2.167 1.00 75.44 N ATOM 536 CA LYS A 40 19.051 -5.237 1.605 1.00 24.14 C ATOM 537 C LYS A 40 17.618 -4.724 1.507 1.00 44.22 C ATOM 538 O LYS A 40 17.374 -3.520 1.586 1.00 64.42 O ATOM 539 CB LYS A 40 19.706 -5.223 0.222 1.00 11.01 C ATOM 540 CG LYS A 40 21.204 -5.473 0.255 1.00 34.32 C ATOM 541 CD LYS A 40 21.807 -5.430 -1.139 1.00 21.34 C ATOM 542 CE LYS A 40 21.723 -6.785 -1.824 1.00 72.35 C ATOM 543 NZ LYS A 40 22.180 -6.720 -3.240 1.00 45.20 N ATOM 0 H LYS A 40 19.302 -7.315 1.492 1.00 75.44 H new ATOM 0 HA LYS A 40 19.609 -4.578 2.270 1.00 24.14 H new ATOM 0 HB2 LYS A 40 19.233 -5.981 -0.402 1.00 11.01 H new ATOM 0 HB3 LYS A 40 19.517 -4.259 -0.250 1.00 11.01 H new ATOM 0 HG2 LYS A 40 21.685 -4.724 0.884 1.00 34.32 H new ATOM 0 HG3 LYS A 40 21.402 -6.444 0.708 1.00 34.32 H new ATOM 0 HD2 LYS A 40 21.286 -4.685 -1.739 1.00 21.34 H new ATOM 0 HD3 LYS A 40 22.849 -5.117 -1.076 1.00 21.34 H new ATOM 0 HE2 LYS A 40 22.332 -7.506 -1.279 1.00 72.35 H new ATOM 0 HE3 LYS A 40 20.695 -7.146 -1.790 1.00 72.35 H new ATOM 0 HZ1 LYS A 40 22.107 -7.663 -3.672 1.00 45.20 H new ATOM 0 HZ2 LYS A 40 21.583 -6.051 -3.767 1.00 45.20 H new ATOM 0 HZ3 LYS A 40 23.169 -6.400 -3.271 1.00 45.20 H new ATOM 557 N GLU A 41 16.675 -5.645 1.335 1.00 2.31 N ATOM 558 CA GLU A 41 15.267 -5.283 1.227 1.00 74.53 C ATOM 559 C GLU A 41 14.687 -4.938 2.595 1.00 14.02 C ATOM 560 O GLU A 41 14.250 -3.810 2.829 1.00 24.53 O ATOM 561 CB GLU A 41 14.470 -6.429 0.598 1.00 45.34 C ATOM 562 CG GLU A 41 12.990 -6.125 0.437 1.00 4.12 C ATOM 563 CD GLU A 41 12.738 -4.801 -0.259 1.00 25.35 C ATOM 564 OE1 GLU A 41 12.707 -4.783 -1.507 1.00 3.04 O ATOM 565 OE2 GLU A 41 12.572 -3.784 0.446 1.00 3.41 O ATOM 0 H GLU A 41 16.860 -6.646 1.268 1.00 2.31 H new ATOM 0 HA GLU A 41 15.193 -4.403 0.588 1.00 74.53 H new ATOM 0 HB2 GLU A 41 14.893 -6.661 -0.379 1.00 45.34 H new ATOM 0 HB3 GLU A 41 14.584 -7.321 1.214 1.00 45.34 H new ATOM 0 HG2 GLU A 41 12.518 -6.926 -0.132 1.00 4.12 H new ATOM 0 HG3 GLU A 41 12.517 -6.111 1.419 1.00 4.12 H new ATOM 572 N ILE A 42 14.685 -5.916 3.495 1.00 71.15 N ATOM 573 CA ILE A 42 14.159 -5.716 4.839 1.00 4.23 C ATOM 574 C ILE A 42 14.801 -4.503 5.505 1.00 21.43 C ATOM 575 O ILE A 42 14.156 -3.790 6.272 1.00 14.24 O ATOM 576 CB ILE A 42 14.390 -6.955 5.724 1.00 74.30 C ATOM 577 CG1 ILE A 42 15.886 -7.251 5.845 1.00 32.54 C ATOM 578 CG2 ILE A 42 13.651 -8.157 5.155 1.00 73.14 C ATOM 579 CD1 ILE A 42 16.514 -6.685 7.099 1.00 2.41 C ATOM 0 H ILE A 42 15.042 -6.855 3.317 1.00 71.15 H new ATOM 0 HA ILE A 42 13.087 -5.547 4.737 1.00 4.23 H new ATOM 0 HB ILE A 42 13.998 -6.750 6.720 1.00 74.30 H new ATOM 0 HG12 ILE A 42 16.037 -8.330 5.828 1.00 32.54 H new ATOM 0 HG13 ILE A 42 16.400 -6.843 4.975 1.00 32.54 H new ATOM 0 HG21 ILE A 42 13.824 -9.025 5.791 1.00 73.14 H new ATOM 0 HG22 ILE A 42 12.583 -7.942 5.116 1.00 73.14 H new ATOM 0 HG23 ILE A 42 14.016 -8.366 4.149 1.00 73.14 H new ATOM 0 HD11 ILE A 42 17.575 -6.933 7.118 1.00 2.41 H new ATOM 0 HD12 ILE A 42 16.394 -5.602 7.109 1.00 2.41 H new ATOM 0 HD13 ILE A 42 16.026 -7.112 7.975 1.00 2.41 H new ATOM 591 N ALA A 43 16.076 -4.276 5.205 1.00 14.32 N ATOM 592 CA ALA A 43 16.804 -3.147 5.772 1.00 71.34 C ATOM 593 C ALA A 43 16.291 -1.825 5.211 1.00 74.42 C ATOM 594 O ALA A 43 16.295 -0.805 5.899 1.00 14.14 O ATOM 595 CB ALA A 43 18.295 -3.293 5.504 1.00 75.24 C ATOM 0 H ALA A 43 16.626 -4.858 4.573 1.00 14.32 H new ATOM 0 HA ALA A 43 16.638 -3.143 6.849 1.00 71.34 H new ATOM 0 HB1 ALA A 43 18.827 -2.443 5.933 1.00 75.24 H new ATOM 0 HB2 ALA A 43 18.658 -4.215 5.958 1.00 75.24 H new ATOM 0 HB3 ALA A 43 18.470 -3.325 4.429 1.00 75.24 H new ATOM 601 N ARG A 44 15.850 -1.851 3.957 1.00 1.12 N ATOM 602 CA ARG A 44 15.335 -0.654 3.304 1.00 45.43 C ATOM 603 C ARG A 44 14.016 -0.215 3.933 1.00 60.55 C ATOM 604 O ARG A 44 13.868 0.931 4.355 1.00 1.31 O ATOM 605 CB ARG A 44 15.140 -0.907 1.808 1.00 64.13 C ATOM 606 CG ARG A 44 15.527 0.275 0.934 1.00 11.21 C ATOM 607 CD ARG A 44 14.345 1.201 0.695 1.00 14.34 C ATOM 608 NE ARG A 44 13.371 0.620 -0.225 1.00 41.01 N ATOM 609 CZ ARG A 44 13.513 0.626 -1.546 1.00 5.52 C ATOM 610 NH1 ARG A 44 14.584 1.181 -2.098 1.00 20.32 N ATOM 611 NH2 ARG A 44 12.584 0.077 -2.317 1.00 40.22 N ATOM 0 H ARG A 44 15.839 -2.688 3.374 1.00 1.12 H new ATOM 0 HA ARG A 44 16.065 0.145 3.438 1.00 45.43 H new ATOM 0 HB2 ARG A 44 15.732 -1.774 1.515 1.00 64.13 H new ATOM 0 HB3 ARG A 44 14.095 -1.157 1.624 1.00 64.13 H new ATOM 0 HG2 ARG A 44 16.336 0.831 1.409 1.00 11.21 H new ATOM 0 HG3 ARG A 44 15.907 -0.086 -0.022 1.00 11.21 H new ATOM 0 HD2 ARG A 44 13.859 1.421 1.646 1.00 14.34 H new ATOM 0 HD3 ARG A 44 14.703 2.149 0.293 1.00 14.34 H new ATOM 0 HE ARG A 44 12.536 0.186 0.168 1.00 41.01 H new ATOM 0 HH11 ARG A 44 15.300 1.604 -1.508 1.00 20.32 H new ATOM 0 HH12 ARG A 44 14.691 1.185 -3.112 1.00 20.32 H new ATOM 0 HH21 ARG A 44 11.759 -0.351 -1.896 1.00 40.22 H new ATOM 0 HH22 ARG A 44 12.694 0.082 -3.331 1.00 40.22 H new ATOM 625 N VAL A 45 13.059 -1.137 3.990 1.00 3.45 N ATOM 626 CA VAL A 45 11.752 -0.846 4.568 1.00 64.11 C ATOM 627 C VAL A 45 11.873 -0.476 6.042 1.00 51.42 C ATOM 628 O VAL A 45 11.054 0.275 6.574 1.00 52.14 O ATOM 629 CB VAL A 45 10.798 -2.047 4.428 1.00 13.40 C ATOM 630 CG1 VAL A 45 10.541 -2.357 2.961 1.00 10.12 C ATOM 631 CG2 VAL A 45 11.362 -3.262 5.148 1.00 71.22 C ATOM 0 H VAL A 45 13.164 -2.090 3.643 1.00 3.45 H new ATOM 0 HA VAL A 45 11.343 0.001 4.017 1.00 64.11 H new ATOM 0 HB VAL A 45 9.846 -1.789 4.892 1.00 13.40 H new ATOM 0 HG11 VAL A 45 9.865 -3.208 2.882 1.00 10.12 H new ATOM 0 HG12 VAL A 45 10.090 -1.489 2.479 1.00 10.12 H new ATOM 0 HG13 VAL A 45 11.484 -2.596 2.469 1.00 10.12 H new ATOM 0 HG21 VAL A 45 10.675 -4.101 5.039 1.00 71.22 H new ATOM 0 HG22 VAL A 45 12.328 -3.525 4.716 1.00 71.22 H new ATOM 0 HG23 VAL A 45 11.488 -3.032 6.206 1.00 71.22 H new ATOM 641 N LEU A 46 12.899 -1.006 6.697 1.00 23.04 N ATOM 642 CA LEU A 46 13.128 -0.731 8.112 1.00 45.24 C ATOM 643 C LEU A 46 13.476 0.738 8.331 1.00 22.01 C ATOM 644 O LEU A 46 12.985 1.369 9.266 1.00 55.41 O ATOM 645 CB LEU A 46 14.253 -1.619 8.648 1.00 15.45 C ATOM 646 CG LEU A 46 13.852 -2.636 9.717 1.00 73.52 C ATOM 647 CD1 LEU A 46 13.486 -1.933 11.014 1.00 10.53 C ATOM 648 CD2 LEU A 46 12.693 -3.494 9.228 1.00 24.25 C ATOM 0 H LEU A 46 13.586 -1.629 6.272 1.00 23.04 H new ATOM 0 HA LEU A 46 12.209 -0.952 8.654 1.00 45.24 H new ATOM 0 HB2 LEU A 46 14.695 -2.158 7.810 1.00 15.45 H new ATOM 0 HB3 LEU A 46 15.031 -0.977 9.060 1.00 15.45 H new ATOM 0 HG LEU A 46 14.705 -3.287 9.910 1.00 73.52 H new ATOM 0 HD11 LEU A 46 13.204 -2.674 11.762 1.00 10.53 H new ATOM 0 HD12 LEU A 46 14.343 -1.363 11.373 1.00 10.53 H new ATOM 0 HD13 LEU A 46 12.649 -1.258 10.838 1.00 10.53 H new ATOM 0 HD21 LEU A 46 12.421 -4.212 10.001 1.00 24.25 H new ATOM 0 HD22 LEU A 46 11.837 -2.857 9.007 1.00 24.25 H new ATOM 0 HD23 LEU A 46 12.991 -4.028 8.326 1.00 24.25 H new ATOM 660 N ALA A 47 14.325 1.276 7.462 1.00 64.02 N ATOM 661 CA ALA A 47 14.735 2.671 7.558 1.00 5.42 C ATOM 662 C ALA A 47 13.676 3.597 6.970 1.00 34.14 C ATOM 663 O ALA A 47 13.595 4.771 7.330 1.00 41.42 O ATOM 664 CB ALA A 47 16.069 2.879 6.856 1.00 51.45 C ATOM 0 H ALA A 47 14.742 0.766 6.683 1.00 64.02 H new ATOM 0 HA ALA A 47 14.850 2.918 8.614 1.00 5.42 H new ATOM 0 HB1 ALA A 47 16.363 3.926 6.936 1.00 51.45 H new ATOM 0 HB2 ALA A 47 16.828 2.252 7.324 1.00 51.45 H new ATOM 0 HB3 ALA A 47 15.973 2.608 5.805 1.00 51.45 H new ATOM 670 N SER A 48 12.865 3.060 6.064 1.00 13.22 N ATOM 671 CA SER A 48 11.812 3.840 5.423 1.00 22.30 C ATOM 672 C SER A 48 10.624 4.024 6.362 1.00 10.01 C ATOM 673 O SER A 48 10.127 5.136 6.542 1.00 12.55 O ATOM 674 CB SER A 48 11.356 3.156 4.133 1.00 71.21 C ATOM 675 OG SER A 48 10.764 4.087 3.244 1.00 54.10 O ATOM 0 H SER A 48 12.917 2.089 5.757 1.00 13.22 H new ATOM 0 HA SER A 48 12.217 4.823 5.182 1.00 22.30 H new ATOM 0 HB2 SER A 48 12.209 2.679 3.650 1.00 71.21 H new ATOM 0 HB3 SER A 48 10.641 2.368 4.369 1.00 71.21 H new ATOM 0 HG SER A 48 10.483 3.625 2.427 1.00 54.10 H new ATOM 681 N LEU A 49 10.173 2.926 6.958 1.00 62.30 N ATOM 682 CA LEU A 49 9.043 2.964 7.879 1.00 11.14 C ATOM 683 C LEU A 49 9.407 3.715 9.156 1.00 15.22 C ATOM 684 O LEU A 49 8.657 4.576 9.617 1.00 71.51 O ATOM 685 CB LEU A 49 8.590 1.544 8.221 1.00 33.32 C ATOM 686 CG LEU A 49 7.532 0.936 7.299 1.00 51.50 C ATOM 687 CD1 LEU A 49 8.176 -0.009 6.297 1.00 23.24 C ATOM 688 CD2 LEU A 49 6.468 0.212 8.111 1.00 25.04 C ATOM 0 H LEU A 49 10.573 1.998 6.820 1.00 62.30 H new ATOM 0 HA LEU A 49 8.225 3.492 7.389 1.00 11.14 H new ATOM 0 HB2 LEU A 49 9.465 0.894 8.215 1.00 33.32 H new ATOM 0 HB3 LEU A 49 8.199 1.544 9.239 1.00 33.32 H new ATOM 0 HG LEU A 49 7.051 1.744 6.748 1.00 51.50 H new ATOM 0 HD11 LEU A 49 7.408 -0.432 5.650 1.00 23.24 H new ATOM 0 HD12 LEU A 49 8.899 0.539 5.692 1.00 23.24 H new ATOM 0 HD13 LEU A 49 8.684 -0.813 6.830 1.00 23.24 H new ATOM 0 HD21 LEU A 49 5.724 -0.214 7.438 1.00 25.04 H new ATOM 0 HD22 LEU A 49 6.933 -0.586 8.690 1.00 25.04 H new ATOM 0 HD23 LEU A 49 5.984 0.917 8.787 1.00 25.04 H new ATOM 700 N ALA A 50 10.563 3.385 9.722 1.00 71.11 N ATOM 701 CA ALA A 50 11.028 4.031 10.943 1.00 41.01 C ATOM 702 C ALA A 50 10.986 5.550 10.811 1.00 72.43 C ATOM 703 O ALA A 50 10.319 6.233 11.588 1.00 20.23 O ATOM 704 CB ALA A 50 12.437 3.568 11.281 1.00 23.22 C ATOM 0 H ALA A 50 11.195 2.674 9.354 1.00 71.11 H new ATOM 0 HA ALA A 50 10.358 3.744 11.754 1.00 41.01 H new ATOM 0 HB1 ALA A 50 12.772 4.058 12.195 1.00 23.22 H new ATOM 0 HB2 ALA A 50 12.440 2.488 11.427 1.00 23.22 H new ATOM 0 HB3 ALA A 50 13.111 3.826 10.464 1.00 23.22 H new ATOM 710 N LYS A 51 11.702 6.073 9.822 1.00 63.13 N ATOM 711 CA LYS A 51 11.747 7.511 9.586 1.00 11.24 C ATOM 712 C LYS A 51 10.349 8.063 9.324 1.00 3.23 C ATOM 713 O LYS A 51 10.099 9.256 9.498 1.00 12.10 O ATOM 714 CB LYS A 51 12.662 7.827 8.401 1.00 20.31 C ATOM 715 CG LYS A 51 13.097 9.281 8.339 1.00 64.40 C ATOM 716 CD LYS A 51 13.506 9.680 6.931 1.00 5.53 C ATOM 717 CE LYS A 51 14.148 11.059 6.908 1.00 45.21 C ATOM 718 NZ LYS A 51 14.094 11.674 5.553 1.00 75.34 N ATOM 0 H LYS A 51 12.260 5.522 9.170 1.00 63.13 H new ATOM 0 HA LYS A 51 12.146 7.988 10.481 1.00 11.24 H new ATOM 0 HB2 LYS A 51 13.547 7.194 8.457 1.00 20.31 H new ATOM 0 HB3 LYS A 51 12.146 7.571 7.476 1.00 20.31 H new ATOM 0 HG2 LYS A 51 12.282 9.921 8.677 1.00 64.40 H new ATOM 0 HG3 LYS A 51 13.932 9.442 9.021 1.00 64.40 H new ATOM 0 HD2 LYS A 51 14.205 8.945 6.532 1.00 5.53 H new ATOM 0 HD3 LYS A 51 12.631 9.674 6.281 1.00 5.53 H new ATOM 0 HE2 LYS A 51 13.640 11.708 7.622 1.00 45.21 H new ATOM 0 HE3 LYS A 51 15.186 10.981 7.230 1.00 45.21 H new ATOM 0 HZ1 LYS A 51 14.542 12.612 5.580 1.00 75.34 H new ATOM 0 HZ2 LYS A 51 14.600 11.068 4.876 1.00 75.34 H new ATOM 0 HZ3 LYS A 51 13.102 11.772 5.255 1.00 75.34 H new ATOM 732 N LYS A 52 9.441 7.188 8.906 1.00 22.25 N ATOM 733 CA LYS A 52 8.068 7.586 8.623 1.00 54.21 C ATOM 734 C LYS A 52 7.223 7.571 9.893 1.00 23.22 C ATOM 735 O LYS A 52 6.197 8.243 9.976 1.00 54.40 O ATOM 736 CB LYS A 52 7.451 6.655 7.576 1.00 14.45 C ATOM 737 CG LYS A 52 6.228 7.238 6.889 1.00 12.34 C ATOM 738 CD LYS A 52 5.070 6.255 6.883 1.00 34.34 C ATOM 739 CE LYS A 52 5.421 4.984 6.125 1.00 44.11 C ATOM 740 NZ LYS A 52 5.932 5.278 4.757 1.00 1.02 N ATOM 0 H LYS A 52 9.632 6.197 8.756 1.00 22.25 H new ATOM 0 HA LYS A 52 8.085 8.603 8.232 1.00 54.21 H new ATOM 0 HB2 LYS A 52 8.203 6.420 6.823 1.00 14.45 H new ATOM 0 HB3 LYS A 52 7.175 5.716 8.055 1.00 14.45 H new ATOM 0 HG2 LYS A 52 5.926 8.154 7.397 1.00 12.34 H new ATOM 0 HG3 LYS A 52 6.480 7.510 5.864 1.00 12.34 H new ATOM 0 HD2 LYS A 52 4.799 6.005 7.909 1.00 34.34 H new ATOM 0 HD3 LYS A 52 4.197 6.722 6.427 1.00 34.34 H new ATOM 0 HE2 LYS A 52 6.173 4.425 6.682 1.00 44.11 H new ATOM 0 HE3 LYS A 52 4.539 4.348 6.054 1.00 44.11 H new ATOM 0 HZ1 LYS A 52 5.936 4.404 4.193 1.00 1.02 H new ATOM 0 HZ2 LYS A 52 5.318 5.982 4.301 1.00 1.02 H new ATOM 0 HZ3 LYS A 52 6.900 5.653 4.821 1.00 1.02 H new ATOM 754 N GLY A 53 7.664 6.799 10.882 1.00 2.24 N ATOM 755 CA GLY A 53 6.938 6.712 12.136 1.00 53.34 C ATOM 756 C GLY A 53 5.938 5.573 12.148 1.00 14.32 C ATOM 757 O GLY A 53 4.903 5.653 12.810 1.00 34.32 O ATOM 0 H GLY A 53 8.511 6.232 10.837 1.00 2.24 H new ATOM 0 HA2 GLY A 53 7.646 6.579 12.954 1.00 53.34 H new ATOM 0 HA3 GLY A 53 6.416 7.652 12.316 1.00 53.34 H new ATOM 761 N LYS A 54 6.245 4.510 11.413 1.00 20.01 N ATOM 762 CA LYS A 54 5.366 3.349 11.341 1.00 71.01 C ATOM 763 C LYS A 54 6.065 2.103 11.876 1.00 13.22 C ATOM 764 O LYS A 54 5.418 1.105 12.196 1.00 73.13 O ATOM 765 CB LYS A 54 4.916 3.113 9.897 1.00 15.54 C ATOM 766 CG LYS A 54 3.713 2.193 9.778 1.00 41.31 C ATOM 767 CD LYS A 54 3.170 2.167 8.359 1.00 31.00 C ATOM 768 CE LYS A 54 2.300 3.382 8.073 1.00 64.45 C ATOM 769 NZ LYS A 54 0.874 3.139 8.427 1.00 44.03 N ATOM 0 H LYS A 54 7.097 4.428 10.858 1.00 20.01 H new ATOM 0 HA LYS A 54 4.491 3.548 11.960 1.00 71.01 H new ATOM 0 HB2 LYS A 54 4.676 4.072 9.439 1.00 15.54 H new ATOM 0 HB3 LYS A 54 5.745 2.688 9.332 1.00 15.54 H new ATOM 0 HG2 LYS A 54 3.994 1.184 10.080 1.00 41.31 H new ATOM 0 HG3 LYS A 54 2.931 2.524 10.462 1.00 41.31 H new ATOM 0 HD2 LYS A 54 3.999 2.137 7.652 1.00 31.00 H new ATOM 0 HD3 LYS A 54 2.588 1.258 8.207 1.00 31.00 H new ATOM 0 HE2 LYS A 54 2.673 4.237 8.637 1.00 64.45 H new ATOM 0 HE3 LYS A 54 2.373 3.640 7.017 1.00 64.45 H new ATOM 0 HZ1 LYS A 54 0.314 3.990 8.217 1.00 44.03 H new ATOM 0 HZ2 LYS A 54 0.510 2.339 7.871 1.00 44.03 H new ATOM 0 HZ3 LYS A 54 0.801 2.918 9.440 1.00 44.03 H new ATOM 783 N LEU A 55 7.388 2.168 11.973 1.00 10.40 N ATOM 784 CA LEU A 55 8.175 1.046 12.472 1.00 71.24 C ATOM 785 C LEU A 55 8.887 1.414 13.769 1.00 23.22 C ATOM 786 O LEU A 55 9.573 2.433 13.844 1.00 62.14 O ATOM 787 CB LEU A 55 9.197 0.608 11.422 1.00 64.15 C ATOM 788 CG LEU A 55 10.343 -0.271 11.926 1.00 52.25 C ATOM 789 CD1 LEU A 55 11.389 0.572 12.638 1.00 14.43 C ATOM 790 CD2 LEU A 55 9.814 -1.359 12.848 1.00 72.52 C ATOM 0 H LEU A 55 7.939 2.986 11.713 1.00 10.40 H new ATOM 0 HA LEU A 55 7.495 0.219 12.675 1.00 71.24 H new ATOM 0 HB2 LEU A 55 8.671 0.068 10.635 1.00 64.15 H new ATOM 0 HB3 LEU A 55 9.624 1.501 10.965 1.00 64.15 H new ATOM 0 HG LEU A 55 10.815 -0.748 11.067 1.00 52.25 H new ATOM 0 HD11 LEU A 55 12.196 -0.070 12.990 1.00 14.43 H new ATOM 0 HD12 LEU A 55 11.790 1.314 11.947 1.00 14.43 H new ATOM 0 HD13 LEU A 55 10.931 1.078 13.488 1.00 14.43 H new ATOM 0 HD21 LEU A 55 10.643 -1.975 13.197 1.00 72.52 H new ATOM 0 HD22 LEU A 55 9.317 -0.901 13.703 1.00 72.52 H new ATOM 0 HD23 LEU A 55 9.103 -1.982 12.305 1.00 72.52 H new ATOM 802 N GLN A 56 8.721 0.576 14.788 1.00 50.24 N ATOM 803 CA GLN A 56 9.350 0.813 16.082 1.00 53.43 C ATOM 804 C GLN A 56 10.214 -0.374 16.493 1.00 40.02 C ATOM 805 O GLN A 56 9.937 -1.515 16.123 1.00 33.21 O ATOM 806 CB GLN A 56 8.286 1.079 17.148 1.00 31.33 C ATOM 807 CG GLN A 56 7.853 2.534 17.227 1.00 31.32 C ATOM 808 CD GLN A 56 8.845 3.398 17.981 1.00 73.32 C ATOM 809 OE1 GLN A 56 9.684 2.893 18.727 1.00 30.21 O ATOM 810 NE2 GLN A 56 8.754 4.709 17.789 1.00 35.42 N ATOM 0 H GLN A 56 8.157 -0.272 14.742 1.00 50.24 H new ATOM 0 HA GLN A 56 9.991 1.690 15.992 1.00 53.43 H new ATOM 0 HB2 GLN A 56 7.413 0.460 16.941 1.00 31.33 H new ATOM 0 HB3 GLN A 56 8.672 0.770 18.119 1.00 31.33 H new ATOM 0 HG2 GLN A 56 7.728 2.927 16.218 1.00 31.32 H new ATOM 0 HG3 GLN A 56 6.880 2.594 17.715 1.00 31.32 H new ATOM 0 HE21 GLN A 56 8.043 5.084 17.161 1.00 35.42 H new ATOM 0 HE22 GLN A 56 9.395 5.340 18.269 1.00 35.42 H new ATOM 819 N LYS A 57 11.263 -0.098 17.260 1.00 64.13 N ATOM 820 CA LYS A 57 12.169 -1.143 17.723 1.00 40.13 C ATOM 821 C LYS A 57 12.349 -1.076 19.236 1.00 51.31 C ATOM 822 O LYS A 57 12.939 -0.131 19.758 1.00 45.11 O ATOM 823 CB LYS A 57 13.528 -1.012 17.031 1.00 73.23 C ATOM 824 CG LYS A 57 14.044 0.415 16.969 1.00 60.12 C ATOM 825 CD LYS A 57 15.519 0.459 16.606 1.00 51.12 C ATOM 826 CE LYS A 57 15.954 1.862 16.210 1.00 33.11 C ATOM 827 NZ LYS A 57 15.816 2.093 14.745 1.00 32.14 N ATOM 0 H LYS A 57 11.507 0.841 17.574 1.00 64.13 H new ATOM 0 HA LYS A 57 11.730 -2.108 17.469 1.00 40.13 H new ATOM 0 HB2 LYS A 57 14.255 -1.630 17.557 1.00 73.23 H new ATOM 0 HB3 LYS A 57 13.450 -1.405 16.018 1.00 73.23 H new ATOM 0 HG2 LYS A 57 13.470 0.979 16.233 1.00 60.12 H new ATOM 0 HG3 LYS A 57 13.891 0.901 17.933 1.00 60.12 H new ATOM 0 HD2 LYS A 57 16.114 0.118 17.454 1.00 51.12 H new ATOM 0 HD3 LYS A 57 15.713 -0.229 15.783 1.00 51.12 H new ATOM 0 HE2 LYS A 57 15.355 2.594 16.751 1.00 33.11 H new ATOM 0 HE3 LYS A 57 16.991 2.018 16.506 1.00 33.11 H new ATOM 0 HZ1 LYS A 57 16.122 3.060 14.516 1.00 32.14 H new ATOM 0 HZ2 LYS A 57 16.407 1.411 14.229 1.00 32.14 H new ATOM 0 HZ3 LYS A 57 14.822 1.970 14.466 1.00 32.14 H new ATOM 841 N GLU A 58 11.837 -2.085 19.934 1.00 51.14 N ATOM 842 CA GLU A 58 11.943 -2.139 21.387 1.00 74.11 C ATOM 843 C GLU A 58 13.395 -2.312 21.821 1.00 43.02 C ATOM 844 O GLU A 58 13.937 -3.417 21.788 1.00 15.34 O ATOM 845 CB GLU A 58 11.094 -3.286 21.940 1.00 52.12 C ATOM 846 CG GLU A 58 10.771 -3.146 23.418 1.00 72.41 C ATOM 847 CD GLU A 58 12.007 -3.207 24.294 1.00 44.25 C ATOM 848 OE1 GLU A 58 12.869 -4.076 24.043 1.00 11.31 O ATOM 849 OE2 GLU A 58 12.114 -2.386 25.229 1.00 73.34 O ATOM 0 H GLU A 58 11.345 -2.875 19.517 1.00 51.14 H new ATOM 0 HA GLU A 58 11.572 -1.196 21.788 1.00 74.11 H new ATOM 0 HB2 GLU A 58 10.162 -3.342 21.377 1.00 52.12 H new ATOM 0 HB3 GLU A 58 11.620 -4.227 21.779 1.00 52.12 H new ATOM 0 HG2 GLU A 58 10.258 -2.199 23.586 1.00 72.41 H new ATOM 0 HG3 GLU A 58 10.082 -3.938 23.712 1.00 72.41 H new ATOM 856 N ALA A 59 14.021 -1.211 22.226 1.00 73.51 N ATOM 857 CA ALA A 59 15.409 -1.241 22.667 1.00 5.35 C ATOM 858 C ALA A 59 15.501 -1.301 24.188 1.00 32.35 C ATOM 859 O ALA A 59 15.863 -0.321 24.838 1.00 71.21 O ATOM 860 CB ALA A 59 16.157 -0.025 22.140 1.00 53.20 C ATOM 0 H ALA A 59 13.588 -0.288 22.257 1.00 73.51 H new ATOM 0 HA ALA A 59 15.872 -2.142 22.265 1.00 5.35 H new ATOM 0 HB1 ALA A 59 17.193 -0.061 22.477 1.00 53.20 H new ATOM 0 HB2 ALA A 59 16.130 -0.025 21.050 1.00 53.20 H new ATOM 0 HB3 ALA A 59 15.685 0.883 22.514 1.00 53.20 H new ATOM 866 N GLY A 60 15.169 -2.459 24.751 1.00 31.42 N ATOM 867 CA GLY A 60 15.219 -2.626 26.192 1.00 44.41 C ATOM 868 C GLY A 60 15.507 -4.056 26.601 1.00 64.52 C ATOM 869 O GLY A 60 16.395 -4.703 26.044 1.00 72.55 O ATOM 0 H GLY A 60 14.866 -3.285 24.235 1.00 31.42 H new ATOM 0 HA2 GLY A 60 15.988 -1.972 26.604 1.00 44.41 H new ATOM 0 HA3 GLY A 60 14.269 -2.312 26.624 1.00 44.41 H new ATOM 873 N THR A 61 14.757 -4.553 27.579 1.00 32.51 N ATOM 874 CA THR A 61 14.938 -5.916 28.065 1.00 54.34 C ATOM 875 C THR A 61 14.692 -6.932 26.955 1.00 14.12 C ATOM 876 O THR A 61 15.579 -7.692 26.569 1.00 65.31 O ATOM 877 CB THR A 61 13.995 -6.222 29.244 1.00 51.33 C ATOM 878 OG1 THR A 61 14.608 -5.826 30.476 1.00 33.41 O ATOM 879 CG2 THR A 61 13.654 -7.703 29.293 1.00 32.35 C ATOM 0 H THR A 61 14.018 -4.032 28.051 1.00 32.51 H new ATOM 0 HA THR A 61 15.970 -5.996 28.405 1.00 54.34 H new ATOM 0 HB THR A 61 13.073 -5.658 29.100 1.00 51.33 H new ATOM 0 HG1 THR A 61 14.002 -6.022 31.221 1.00 33.41 H new ATOM 0 HG21 THR A 61 12.987 -7.895 30.133 1.00 32.35 H new ATOM 0 HG22 THR A 61 13.162 -7.994 28.365 1.00 32.35 H new ATOM 0 HG23 THR A 61 14.569 -8.283 29.416 1.00 32.35 H new ATOM 887 N PRO A 62 13.458 -6.947 26.428 1.00 22.14 N ATOM 888 CA PRO A 62 13.067 -7.865 25.354 1.00 24.14 C ATOM 889 C PRO A 62 13.736 -7.523 24.027 1.00 1.14 C ATOM 890 O PRO A 62 13.409 -6.529 23.378 1.00 60.52 O ATOM 891 CB PRO A 62 11.552 -7.671 25.255 1.00 3.35 C ATOM 892 CG PRO A 62 11.312 -6.296 25.777 1.00 51.04 C ATOM 893 CD PRO A 62 12.350 -6.069 26.840 1.00 3.13 C ATOM 0 HA PRO A 62 13.366 -8.892 25.566 1.00 24.14 H new ATOM 0 HB2 PRO A 62 11.206 -7.770 24.226 1.00 3.35 H new ATOM 0 HB3 PRO A 62 11.018 -8.417 25.844 1.00 3.35 H new ATOM 0 HG2 PRO A 62 11.400 -5.556 24.982 1.00 51.04 H new ATOM 0 HG3 PRO A 62 10.306 -6.205 26.188 1.00 51.04 H new ATOM 0 HD2 PRO A 62 12.659 -5.025 26.883 1.00 3.13 H new ATOM 0 HD3 PRO A 62 11.976 -6.332 27.830 1.00 3.13 H new ATOM 901 N PRO A 63 14.695 -8.364 23.613 1.00 3.10 N ATOM 902 CA PRO A 63 15.429 -8.171 22.359 1.00 63.32 C ATOM 903 C PRO A 63 14.554 -8.409 21.133 1.00 64.33 C ATOM 904 O PRO A 63 14.479 -9.526 20.619 1.00 73.14 O ATOM 905 CB PRO A 63 16.541 -9.220 22.434 1.00 64.41 C ATOM 906 CG PRO A 63 16.004 -10.278 23.334 1.00 31.54 C ATOM 907 CD PRO A 63 15.137 -9.568 24.337 1.00 72.03 C ATOM 0 HA PRO A 63 15.794 -7.149 22.253 1.00 63.32 H new ATOM 0 HB2 PRO A 63 16.774 -9.621 21.448 1.00 64.41 H new ATOM 0 HB3 PRO A 63 17.462 -8.793 22.831 1.00 64.41 H new ATOM 0 HG2 PRO A 63 15.428 -11.013 22.772 1.00 31.54 H new ATOM 0 HG3 PRO A 63 16.812 -10.817 23.829 1.00 31.54 H new ATOM 0 HD2 PRO A 63 14.292 -10.184 24.646 1.00 72.03 H new ATOM 0 HD3 PRO A 63 15.693 -9.313 25.240 1.00 72.03 H new ATOM 915 N LEU A 64 13.896 -7.354 20.668 1.00 15.51 N ATOM 916 CA LEU A 64 13.026 -7.448 19.501 1.00 55.52 C ATOM 917 C LEU A 64 12.460 -6.080 19.131 1.00 3.24 C ATOM 918 O LEU A 64 12.708 -5.089 19.818 1.00 3.23 O ATOM 919 CB LEU A 64 11.883 -8.429 19.769 1.00 1.44 C ATOM 920 CG LEU A 64 10.654 -7.852 20.473 1.00 2.40 C ATOM 921 CD1 LEU A 64 9.660 -8.954 20.801 1.00 73.54 C ATOM 922 CD2 LEU A 64 11.063 -7.107 21.736 1.00 62.33 C ATOM 0 H LEU A 64 13.948 -6.423 21.081 1.00 15.51 H new ATOM 0 HA LEU A 64 13.622 -7.813 18.664 1.00 55.52 H new ATOM 0 HB2 LEU A 64 11.565 -8.854 18.817 1.00 1.44 H new ATOM 0 HB3 LEU A 64 12.270 -9.251 20.372 1.00 1.44 H new ATOM 0 HG LEU A 64 10.172 -7.145 19.798 1.00 2.40 H new ATOM 0 HD11 LEU A 64 8.792 -8.524 21.302 1.00 73.54 H new ATOM 0 HD12 LEU A 64 9.342 -9.443 19.880 1.00 73.54 H new ATOM 0 HD13 LEU A 64 10.132 -9.686 21.457 1.00 73.54 H new ATOM 0 HD21 LEU A 64 10.176 -6.703 22.224 1.00 62.33 H new ATOM 0 HD22 LEU A 64 11.570 -7.793 22.415 1.00 62.33 H new ATOM 0 HD23 LEU A 64 11.737 -6.291 21.475 1.00 62.33 H new ATOM 934 N TRP A 65 11.699 -6.035 18.045 1.00 55.54 N ATOM 935 CA TRP A 65 11.096 -4.788 17.585 1.00 32.23 C ATOM 936 C TRP A 65 9.605 -4.755 17.903 1.00 71.23 C ATOM 937 O TRP A 65 9.057 -5.706 18.461 1.00 63.21 O ATOM 938 CB TRP A 65 11.314 -4.616 16.081 1.00 34.51 C ATOM 939 CG TRP A 65 12.652 -5.103 15.615 1.00 23.43 C ATOM 940 CD1 TRP A 65 12.914 -5.828 14.487 1.00 10.53 C ATOM 941 CD2 TRP A 65 13.911 -4.903 16.267 1.00 43.22 C ATOM 942 NE1 TRP A 65 14.260 -6.089 14.398 1.00 30.24 N ATOM 943 CE2 TRP A 65 14.894 -5.532 15.477 1.00 32.03 C ATOM 944 CE3 TRP A 65 14.305 -4.251 17.439 1.00 72.42 C ATOM 945 CZ2 TRP A 65 16.242 -5.528 15.825 1.00 61.43 C ATOM 946 CZ3 TRP A 65 15.643 -4.249 17.782 1.00 23.03 C ATOM 947 CH2 TRP A 65 16.599 -4.883 16.978 1.00 60.25 C ATOM 0 H TRP A 65 11.484 -6.846 17.466 1.00 55.54 H new ATOM 0 HA TRP A 65 11.579 -3.964 18.111 1.00 32.23 H new ATOM 0 HB2 TRP A 65 10.533 -5.154 15.544 1.00 34.51 H new ATOM 0 HB3 TRP A 65 11.210 -3.562 15.824 1.00 34.51 H new ATOM 0 HD1 TRP A 65 12.172 -6.149 13.771 1.00 10.53 H new ATOM 0 HE1 TRP A 65 14.714 -6.613 13.650 1.00 30.24 H new ATOM 0 HE3 TRP A 65 13.576 -3.758 18.065 1.00 72.42 H new ATOM 0 HZ2 TRP A 65 16.980 -6.017 15.207 1.00 61.43 H new ATOM 0 HZ3 TRP A 65 15.958 -3.750 18.686 1.00 23.03 H new ATOM 0 HH2 TRP A 65 17.638 -4.862 17.274 1.00 60.25 H new ATOM 958 N LYS A 66 8.952 -3.655 17.544 1.00 62.04 N ATOM 959 CA LYS A 66 7.523 -3.498 17.789 1.00 64.15 C ATOM 960 C LYS A 66 6.861 -2.714 16.660 1.00 32.13 C ATOM 961 O LYS A 66 7.389 -1.700 16.203 1.00 64.41 O ATOM 962 CB LYS A 66 7.289 -2.788 19.124 1.00 51.24 C ATOM 963 CG LYS A 66 7.987 -1.443 19.228 1.00 51.22 C ATOM 964 CD LYS A 66 8.295 -1.085 20.672 1.00 1.11 C ATOM 965 CE LYS A 66 7.035 -0.701 21.432 1.00 10.51 C ATOM 966 NZ LYS A 66 7.348 -0.105 22.761 1.00 65.04 N ATOM 0 H LYS A 66 9.390 -2.858 17.082 1.00 62.04 H new ATOM 0 HA LYS A 66 7.075 -4.491 17.830 1.00 64.15 H new ATOM 0 HB2 LYS A 66 6.218 -2.644 19.267 1.00 51.24 H new ATOM 0 HB3 LYS A 66 7.635 -3.431 19.933 1.00 51.24 H new ATOM 0 HG2 LYS A 66 8.913 -1.467 18.653 1.00 51.22 H new ATOM 0 HG3 LYS A 66 7.357 -0.670 18.787 1.00 51.22 H new ATOM 0 HD2 LYS A 66 8.774 -1.932 21.164 1.00 1.11 H new ATOM 0 HD3 LYS A 66 9.004 -0.258 20.700 1.00 1.11 H new ATOM 0 HE2 LYS A 66 6.458 0.011 20.842 1.00 10.51 H new ATOM 0 HE3 LYS A 66 6.410 -1.583 21.568 1.00 10.51 H new ATOM 0 HZ1 LYS A 66 6.463 0.143 23.247 1.00 65.04 H new ATOM 0 HZ2 LYS A 66 7.877 -0.793 23.334 1.00 65.04 H new ATOM 0 HZ3 LYS A 66 7.923 0.752 22.631 1.00 65.04 H new ATOM 980 N ILE A 67 5.702 -3.189 16.217 1.00 15.15 N ATOM 981 CA ILE A 67 4.966 -2.530 15.145 1.00 65.21 C ATOM 982 C ILE A 67 4.504 -1.140 15.569 1.00 75.44 C ATOM 983 O ILE A 67 3.941 -0.965 16.649 1.00 74.13 O ATOM 984 CB ILE A 67 3.742 -3.357 14.711 1.00 34.14 C ATOM 985 CG1 ILE A 67 2.839 -3.640 15.914 1.00 71.51 C ATOM 986 CG2 ILE A 67 4.185 -4.657 14.057 1.00 72.01 C ATOM 987 CD1 ILE A 67 1.618 -4.465 15.572 1.00 53.14 C ATOM 0 H ILE A 67 5.252 -4.028 16.584 1.00 15.15 H new ATOM 0 HA ILE A 67 5.650 -2.440 14.301 1.00 65.21 H new ATOM 0 HB ILE A 67 3.174 -2.782 13.980 1.00 34.14 H new ATOM 0 HG12 ILE A 67 3.417 -4.161 16.677 1.00 71.51 H new ATOM 0 HG13 ILE A 67 2.518 -2.693 16.348 1.00 71.51 H new ATOM 0 HG21 ILE A 67 3.308 -5.230 13.756 1.00 72.01 H new ATOM 0 HG22 ILE A 67 4.792 -4.434 13.179 1.00 72.01 H new ATOM 0 HG23 ILE A 67 4.773 -5.239 14.766 1.00 72.01 H new ATOM 0 HD11 ILE A 67 1.024 -4.627 16.472 1.00 53.14 H new ATOM 0 HD12 ILE A 67 1.018 -3.937 14.831 1.00 53.14 H new ATOM 0 HD13 ILE A 67 1.931 -5.427 15.166 1.00 53.14 H new ATOM 999 N ALA A 68 4.743 -0.155 14.709 1.00 23.42 N ATOM 1000 CA ALA A 68 4.347 1.219 14.992 1.00 25.44 C ATOM 1001 C ALA A 68 3.339 1.722 13.965 1.00 5.41 C ATOM 1002 O ALA A 68 2.386 2.423 14.308 1.00 23.23 O ATOM 1003 CB ALA A 68 5.570 2.124 15.023 1.00 12.25 C ATOM 0 H ALA A 68 5.209 -0.283 13.811 1.00 23.42 H new ATOM 0 HA ALA A 68 3.869 1.240 15.971 1.00 25.44 H new ATOM 0 HB1 ALA A 68 5.260 3.147 15.235 1.00 12.25 H new ATOM 0 HB2 ALA A 68 6.255 1.784 15.800 1.00 12.25 H new ATOM 0 HB3 ALA A 68 6.072 2.090 14.056 1.00 12.25 H new TER 1009 ALA A 68