USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 632 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 38 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.22) USER MOD Set 1.2: A 79 SER OG : rot 130:sc= 0.0591 USER MOD Set 2.1: A 36 ASN : amide:sc= 1.75 K(o=3,f=-17!) USER MOD Set 2.2: A 37 LYS NZ :NH3+ -174:sc= 1.28 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0521 USER MOD Single : A 8 GLN : amide:sc= -1.19! C(o=-1.2!,f=-4.6!) USER MOD Single : A 10 LYS NZ :NH3+ -147:sc= 1.15 (180deg=0.861) USER MOD Single : A 16 SER OG : rot 4:sc= 0.432 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -107:sc= -0.79 (180deg=-3.48!) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0739 (180deg=-0.394) USER MOD Single : A 44 MET CE :methyl 158:sc= -0.191 (180deg=-0.763) USER MOD Single : A 46 THR OG1 : rot -53:sc= 0.767 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 52 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.00066) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -4.59! K(o=-4.6!,f=-0.55) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.651 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 1.04 (180deg=0.766) USER MOD Single : A 76 ASN : amide:sc= -1.5 K(o=-1.5,f=0) USER MOD Single : A 77 THR OG1 : rot -170:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ASP A 6 13.658 12.324 -2.231 1.00 0.94 N ATOM 63 CA ASP A 6 12.375 11.673 -2.039 1.00 0.82 C ATOM 64 C ASP A 6 11.223 12.626 -2.345 1.00 0.72 C ATOM 65 O ASP A 6 10.360 12.870 -1.506 1.00 0.76 O ATOM 66 CB ASP A 6 12.250 11.114 -0.609 1.00 0.88 C ATOM 67 CG ASP A 6 12.761 12.064 0.466 1.00 1.03 C ATOM 68 OD1 ASP A 6 12.832 13.280 0.198 1.00 1.40 O ATOM 69 OD2 ASP A 6 13.071 11.611 1.591 1.00 1.79 O ATOM 0 HA ASP A 6 12.319 10.839 -2.738 1.00 0.82 H new ATOM 0 HB2 ASP A 6 11.204 10.882 -0.409 1.00 0.88 H new ATOM 0 HB3 ASP A 6 12.802 10.176 -0.545 1.00 0.88 H new ATOM 74 N SER A 7 11.213 13.161 -3.559 1.00 0.68 N ATOM 75 CA SER A 7 10.125 14.012 -4.017 1.00 0.67 C ATOM 76 C SER A 7 8.828 13.210 -4.057 1.00 0.53 C ATOM 77 O SER A 7 8.748 12.221 -4.775 1.00 0.46 O ATOM 78 CB SER A 7 10.463 14.542 -5.408 1.00 0.77 C ATOM 79 OG SER A 7 11.815 14.251 -5.732 1.00 1.33 O ATOM 0 H SER A 7 11.952 13.019 -4.248 1.00 0.68 H new ATOM 0 HA SER A 7 9.994 14.850 -3.333 1.00 0.67 H new ATOM 0 HB2 SER A 7 9.800 14.092 -6.147 1.00 0.77 H new ATOM 0 HB3 SER A 7 10.297 15.619 -5.445 1.00 0.77 H new ATOM 0 HG SER A 7 12.018 14.595 -6.627 1.00 1.33 H new ATOM 85 N GLN A 8 7.829 13.633 -3.283 1.00 0.53 N ATOM 86 CA GLN A 8 6.636 12.813 -3.030 1.00 0.47 C ATOM 87 C GLN A 8 6.033 12.262 -4.321 1.00 0.48 C ATOM 88 O GLN A 8 5.749 11.071 -4.411 1.00 0.50 O ATOM 89 CB GLN A 8 5.559 13.601 -2.271 1.00 0.53 C ATOM 90 CG GLN A 8 5.986 14.144 -0.908 1.00 0.86 C ATOM 91 CD GLN A 8 7.005 15.266 -0.994 1.00 1.25 C ATOM 92 OE1 GLN A 8 7.059 16.000 -1.980 1.00 1.88 O ATOM 93 NE2 GLN A 8 7.808 15.416 0.045 1.00 1.57 N ATOM 0 H GLN A 8 7.819 14.541 -2.818 1.00 0.53 H new ATOM 0 HA GLN A 8 6.970 11.977 -2.415 1.00 0.47 H new ATOM 0 HB2 GLN A 8 5.238 14.437 -2.892 1.00 0.53 H new ATOM 0 HB3 GLN A 8 4.691 12.956 -2.131 1.00 0.53 H new ATOM 0 HG2 GLN A 8 5.105 14.504 -0.377 1.00 0.86 H new ATOM 0 HG3 GLN A 8 6.404 13.330 -0.316 1.00 0.86 H new ATOM 0 HE21 GLN A 8 7.732 14.786 0.844 1.00 1.57 H new ATOM 0 HE22 GLN A 8 8.504 16.162 0.048 1.00 1.57 H new ATOM 102 N GLU A 9 5.859 13.129 -5.315 1.00 0.54 N ATOM 103 CA GLU A 9 5.269 12.727 -6.591 1.00 0.59 C ATOM 104 C GLU A 9 6.165 11.726 -7.314 1.00 0.51 C ATOM 105 O GLU A 9 5.712 10.664 -7.733 1.00 0.50 O ATOM 106 CB GLU A 9 5.035 13.948 -7.477 1.00 0.73 C ATOM 107 CG GLU A 9 4.090 14.968 -6.868 1.00 1.34 C ATOM 108 CD GLU A 9 3.781 16.105 -7.815 1.00 1.57 C ATOM 109 OE1 GLU A 9 2.908 15.932 -8.689 1.00 1.45 O ATOM 110 OE2 GLU A 9 4.410 17.179 -7.690 1.00 2.17 O ATOM 0 H GLU A 9 6.118 14.114 -5.263 1.00 0.54 H new ATOM 0 HA GLU A 9 4.312 12.249 -6.383 1.00 0.59 H new ATOM 0 HB2 GLU A 9 5.992 14.428 -7.680 1.00 0.73 H new ATOM 0 HB3 GLU A 9 4.633 13.619 -8.435 1.00 0.73 H new ATOM 0 HG2 GLU A 9 3.161 14.474 -6.583 1.00 1.34 H new ATOM 0 HG3 GLU A 9 4.531 15.369 -5.955 1.00 1.34 H new ATOM 117 N LYS A 10 7.438 12.082 -7.446 1.00 0.50 N ATOM 118 CA LYS A 10 8.437 11.213 -8.064 1.00 0.48 C ATOM 119 C LYS A 10 8.478 9.857 -7.370 1.00 0.38 C ATOM 120 O LYS A 10 8.443 8.815 -8.020 1.00 0.38 O ATOM 121 CB LYS A 10 9.808 11.888 -7.987 1.00 0.58 C ATOM 122 CG LYS A 10 10.989 10.943 -8.150 1.00 0.75 C ATOM 123 CD LYS A 10 12.308 11.671 -7.953 1.00 1.63 C ATOM 124 CE LYS A 10 13.478 10.704 -7.849 1.00 2.14 C ATOM 125 NZ LYS A 10 13.408 9.864 -6.622 1.00 2.55 N ATOM 0 H LYS A 10 7.807 12.978 -7.129 1.00 0.50 H new ATOM 0 HA LYS A 10 8.168 11.049 -9.108 1.00 0.48 H new ATOM 0 HB2 LYS A 10 9.864 12.656 -8.759 1.00 0.58 H new ATOM 0 HB3 LYS A 10 9.895 12.395 -7.026 1.00 0.58 H new ATOM 0 HG2 LYS A 10 10.909 10.129 -7.429 1.00 0.75 H new ATOM 0 HG3 LYS A 10 10.964 10.493 -9.143 1.00 0.75 H new ATOM 0 HD2 LYS A 10 12.474 12.354 -8.786 1.00 1.63 H new ATOM 0 HD3 LYS A 10 12.257 12.278 -7.049 1.00 1.63 H new ATOM 0 HE2 LYS A 10 13.493 10.059 -8.728 1.00 2.14 H new ATOM 0 HE3 LYS A 10 14.412 11.266 -7.850 1.00 2.14 H new ATOM 0 HZ1 LYS A 10 14.371 9.661 -6.285 1.00 2.55 H new ATOM 0 HZ2 LYS A 10 12.882 10.373 -5.883 1.00 2.55 H new ATOM 0 HZ3 LYS A 10 12.922 8.971 -6.840 1.00 2.55 H new ATOM 139 N VAL A 11 8.534 9.887 -6.044 1.00 0.34 N ATOM 140 CA VAL A 11 8.558 8.672 -5.247 1.00 0.30 C ATOM 141 C VAL A 11 7.302 7.854 -5.495 1.00 0.27 C ATOM 142 O VAL A 11 7.382 6.691 -5.859 1.00 0.31 O ATOM 143 CB VAL A 11 8.694 8.985 -3.740 1.00 0.31 C ATOM 144 CG1 VAL A 11 8.551 7.723 -2.901 1.00 0.39 C ATOM 145 CG2 VAL A 11 10.031 9.647 -3.465 1.00 0.37 C ATOM 0 H VAL A 11 8.564 10.747 -5.497 1.00 0.34 H new ATOM 0 HA VAL A 11 9.431 8.094 -5.552 1.00 0.30 H new ATOM 0 HB VAL A 11 7.892 9.668 -3.461 1.00 0.31 H new ATOM 0 HG11 VAL A 11 8.651 7.975 -1.845 1.00 0.39 H new ATOM 0 HG12 VAL A 11 7.571 7.278 -3.077 1.00 0.39 H new ATOM 0 HG13 VAL A 11 9.328 7.011 -3.180 1.00 0.39 H new ATOM 0 HG21 VAL A 11 10.118 9.864 -2.400 1.00 0.37 H new ATOM 0 HG22 VAL A 11 10.837 8.978 -3.766 1.00 0.37 H new ATOM 0 HG23 VAL A 11 10.100 10.576 -4.031 1.00 0.37 H new ATOM 149 N ALA A 12 6.146 8.482 -5.337 1.00 0.26 N ATOM 150 CA ALA A 12 4.866 7.812 -5.548 1.00 0.27 C ATOM 151 C ALA A 12 4.803 7.162 -6.925 1.00 0.26 C ATOM 152 O ALA A 12 4.280 6.053 -7.088 1.00 0.31 O ATOM 153 CB ALA A 12 3.733 8.806 -5.385 1.00 0.35 C ATOM 0 H ALA A 12 6.066 9.461 -5.062 1.00 0.26 H new ATOM 0 HA ALA A 12 4.765 7.024 -4.802 1.00 0.27 H new ATOM 0 HB1 ALA A 12 2.780 8.301 -5.543 1.00 0.35 H new ATOM 0 HB2 ALA A 12 3.759 9.225 -4.379 1.00 0.35 H new ATOM 0 HB3 ALA A 12 3.844 9.608 -6.115 1.00 0.35 H new ATOM 159 N ASP A 13 5.347 7.858 -7.908 1.00 0.26 N ATOM 160 CA ASP A 13 5.384 7.366 -9.275 1.00 0.32 C ATOM 161 C ASP A 13 6.303 6.154 -9.385 1.00 0.30 C ATOM 162 O ASP A 13 5.952 5.142 -9.994 1.00 0.42 O ATOM 163 CB ASP A 13 5.874 8.464 -10.219 1.00 0.39 C ATOM 164 CG ASP A 13 5.531 8.169 -11.664 1.00 0.59 C ATOM 165 OD1 ASP A 13 4.348 8.323 -12.039 1.00 0.86 O ATOM 166 OD2 ASP A 13 6.441 7.799 -12.435 1.00 0.67 O ATOM 0 H ASP A 13 5.774 8.776 -7.783 1.00 0.26 H new ATOM 0 HA ASP A 13 4.373 7.071 -9.558 1.00 0.32 H new ATOM 0 HB2 ASP A 13 5.429 9.416 -9.929 1.00 0.39 H new ATOM 0 HB3 ASP A 13 6.954 8.573 -10.118 1.00 0.39 H new ATOM 171 N GLU A 14 7.478 6.254 -8.777 1.00 0.25 N ATOM 172 CA GLU A 14 8.471 5.195 -8.869 1.00 0.35 C ATOM 173 C GLU A 14 8.125 4.003 -7.973 1.00 0.28 C ATOM 174 O GLU A 14 8.539 2.881 -8.266 1.00 0.32 O ATOM 175 CB GLU A 14 9.877 5.721 -8.568 1.00 0.53 C ATOM 176 CG GLU A 14 10.089 6.193 -7.143 1.00 1.18 C ATOM 177 CD GLU A 14 11.505 6.663 -6.906 1.00 1.35 C ATOM 178 OE1 GLU A 14 11.715 7.872 -6.689 1.00 1.53 O ATOM 179 OE2 GLU A 14 12.422 5.818 -6.962 1.00 2.05 O ATOM 0 H GLU A 14 7.765 7.056 -8.216 1.00 0.25 H new ATOM 0 HA GLU A 14 8.459 4.838 -9.899 1.00 0.35 H new ATOM 0 HB2 GLU A 14 10.598 4.933 -8.786 1.00 0.53 H new ATOM 0 HB3 GLU A 14 10.093 6.547 -9.245 1.00 0.53 H new ATOM 0 HG2 GLU A 14 9.396 7.005 -6.924 1.00 1.18 H new ATOM 0 HG3 GLU A 14 9.857 5.381 -6.454 1.00 1.18 H new ATOM 186 N ILE A 15 7.377 4.228 -6.883 1.00 0.22 N ATOM 187 CA ILE A 15 6.946 3.115 -6.036 1.00 0.19 C ATOM 188 C ILE A 15 6.189 2.117 -6.884 1.00 0.17 C ATOM 189 O ILE A 15 6.535 0.943 -6.949 1.00 0.22 O ATOM 190 CB ILE A 15 5.983 3.527 -4.894 1.00 0.21 C ATOM 191 CG1 ILE A 15 6.533 4.662 -4.038 1.00 0.25 C ATOM 192 CG2 ILE A 15 5.687 2.324 -4.010 1.00 0.29 C ATOM 193 CD1 ILE A 15 7.752 4.290 -3.230 1.00 0.33 C ATOM 0 H ILE A 15 7.066 5.149 -6.575 1.00 0.22 H new ATOM 0 HA ILE A 15 7.857 2.712 -5.593 1.00 0.19 H new ATOM 0 HB ILE A 15 5.069 3.889 -5.365 1.00 0.21 H new ATOM 0 HG12 ILE A 15 6.782 5.503 -4.685 1.00 0.25 H new ATOM 0 HG13 ILE A 15 5.751 5.003 -3.360 1.00 0.25 H new ATOM 0 HG21 ILE A 15 5.010 2.619 -3.209 1.00 0.29 H new ATOM 0 HG22 ILE A 15 5.223 1.539 -4.607 1.00 0.29 H new ATOM 0 HG23 ILE A 15 6.617 1.951 -3.580 1.00 0.29 H new ATOM 0 HD11 ILE A 15 8.081 5.152 -2.649 1.00 0.33 H new ATOM 0 HD12 ILE A 15 7.505 3.471 -2.555 1.00 0.33 H new ATOM 0 HD13 ILE A 15 8.552 3.978 -3.901 1.00 0.33 H new ATOM 200 N SER A 16 5.182 2.619 -7.578 1.00 0.18 N ATOM 201 CA SER A 16 4.343 1.781 -8.405 1.00 0.25 C ATOM 202 C SER A 16 5.125 1.212 -9.577 1.00 0.22 C ATOM 203 O SER A 16 4.875 0.094 -10.013 1.00 0.30 O ATOM 204 CB SER A 16 3.135 2.558 -8.895 1.00 0.32 C ATOM 205 OG SER A 16 3.515 3.795 -9.478 1.00 0.30 O ATOM 0 H SER A 16 4.928 3.607 -7.582 1.00 0.18 H new ATOM 0 HA SER A 16 3.995 0.946 -7.797 1.00 0.25 H new ATOM 0 HB2 SER A 16 2.590 1.962 -9.627 1.00 0.32 H new ATOM 0 HB3 SER A 16 2.456 2.740 -8.062 1.00 0.32 H new ATOM 0 HG SER A 16 4.493 3.858 -9.504 1.00 0.30 H new ATOM 211 N PHE A 17 6.071 1.994 -10.081 1.00 0.18 N ATOM 212 CA PHE A 17 6.956 1.544 -11.141 1.00 0.24 C ATOM 213 C PHE A 17 7.725 0.304 -10.702 1.00 0.28 C ATOM 214 O PHE A 17 7.889 -0.644 -11.471 1.00 0.37 O ATOM 215 CB PHE A 17 7.925 2.667 -11.530 1.00 0.29 C ATOM 216 CG PHE A 17 9.015 2.231 -12.466 1.00 0.38 C ATOM 217 CD1 PHE A 17 10.302 2.014 -12.001 1.00 0.39 C ATOM 218 CD2 PHE A 17 8.752 2.047 -13.814 1.00 0.49 C ATOM 219 CE1 PHE A 17 11.305 1.619 -12.865 1.00 0.49 C ATOM 220 CE2 PHE A 17 9.750 1.653 -14.681 1.00 0.59 C ATOM 221 CZ PHE A 17 11.035 1.413 -14.186 1.00 0.58 C ATOM 0 H PHE A 17 6.244 2.949 -9.768 1.00 0.18 H new ATOM 0 HA PHE A 17 6.355 1.284 -12.012 1.00 0.24 H new ATOM 0 HB2 PHE A 17 7.361 3.475 -11.996 1.00 0.29 H new ATOM 0 HB3 PHE A 17 8.377 3.074 -10.625 1.00 0.29 H new ATOM 0 HD1 PHE A 17 10.523 2.155 -10.953 1.00 0.39 H new ATOM 0 HD2 PHE A 17 7.754 2.214 -14.190 1.00 0.49 H new ATOM 0 HE1 PHE A 17 12.308 1.473 -12.493 1.00 0.49 H new ATOM 0 HE2 PHE A 17 9.540 1.531 -15.733 1.00 0.59 H new ATOM 0 HZ PHE A 17 11.813 1.065 -14.849 1.00 0.58 H new ATOM 231 N ARG A 18 8.189 0.308 -9.458 1.00 0.24 N ATOM 232 CA ARG A 18 8.933 -0.822 -8.936 1.00 0.29 C ATOM 233 C ARG A 18 7.994 -1.964 -8.561 1.00 0.28 C ATOM 234 O ARG A 18 8.352 -3.139 -8.670 1.00 0.30 O ATOM 235 CB ARG A 18 9.769 -0.423 -7.711 1.00 0.37 C ATOM 236 CG ARG A 18 10.713 0.754 -7.933 1.00 0.41 C ATOM 237 CD ARG A 18 11.572 1.003 -6.699 1.00 0.57 C ATOM 238 NE ARG A 18 12.204 2.327 -6.702 1.00 1.49 N ATOM 239 CZ ARG A 18 13.411 2.575 -6.189 1.00 1.74 C ATOM 240 NH1 ARG A 18 14.190 1.571 -5.811 1.00 1.26 N ATOM 241 NH2 ARG A 18 13.854 3.821 -6.090 1.00 2.83 N ATOM 0 H ARG A 18 8.062 1.077 -8.800 1.00 0.24 H new ATOM 0 HA ARG A 18 9.607 -1.157 -9.724 1.00 0.29 H new ATOM 0 HB2 ARG A 18 9.093 -0.178 -6.892 1.00 0.37 H new ATOM 0 HB3 ARG A 18 10.355 -1.285 -7.393 1.00 0.37 H new ATOM 0 HG2 ARG A 18 11.353 0.555 -8.792 1.00 0.41 H new ATOM 0 HG3 ARG A 18 10.136 1.649 -8.166 1.00 0.41 H new ATOM 0 HD2 ARG A 18 10.955 0.903 -5.806 1.00 0.57 H new ATOM 0 HD3 ARG A 18 12.345 0.237 -6.640 1.00 0.57 H new ATOM 0 HE ARG A 18 11.691 3.103 -7.120 1.00 1.49 H new ATOM 0 HH11 ARG A 18 13.867 0.609 -5.912 1.00 1.26 H new ATOM 0 HH12 ARG A 18 15.112 1.761 -5.419 1.00 1.26 H new ATOM 0 HH21 ARG A 18 13.271 4.596 -6.407 1.00 2.83 H new ATOM 0 HH22 ARG A 18 14.777 4.004 -5.697 1.00 2.83 H new ATOM 255 N LEU A 19 6.790 -1.611 -8.129 1.00 0.27 N ATOM 256 CA LEU A 19 5.838 -2.596 -7.631 1.00 0.25 C ATOM 257 C LEU A 19 5.079 -3.267 -8.767 1.00 0.28 C ATOM 258 O LEU A 19 4.537 -4.361 -8.605 1.00 0.38 O ATOM 259 CB LEU A 19 4.825 -1.957 -6.676 1.00 0.29 C ATOM 260 CG LEU A 19 5.385 -1.338 -5.388 1.00 0.35 C ATOM 261 CD1 LEU A 19 4.526 -1.738 -4.210 1.00 0.99 C ATOM 262 CD2 LEU A 19 6.828 -1.740 -5.147 1.00 0.63 C ATOM 0 H LEU A 19 6.449 -0.650 -8.113 1.00 0.27 H new ATOM 0 HA LEU A 19 6.421 -3.346 -7.097 1.00 0.25 H new ATOM 0 HB2 LEU A 19 4.287 -1.181 -7.220 1.00 0.29 H new ATOM 0 HB3 LEU A 19 4.094 -2.716 -6.398 1.00 0.29 H new ATOM 0 HG LEU A 19 5.364 -0.254 -5.503 1.00 0.35 H new ATOM 0 HD11 LEU A 19 4.929 -1.295 -3.299 1.00 0.99 H new ATOM 0 HD12 LEU A 19 3.507 -1.384 -4.366 1.00 0.99 H new ATOM 0 HD13 LEU A 19 4.522 -2.824 -4.115 1.00 0.99 H new ATOM 0 HD21 LEU A 19 7.185 -1.280 -4.225 1.00 0.63 H new ATOM 0 HD22 LEU A 19 6.894 -2.825 -5.060 1.00 0.63 H new ATOM 0 HD23 LEU A 19 7.443 -1.405 -5.982 1.00 0.63 H new ATOM 274 N GLN A 20 5.067 -2.596 -9.922 1.00 0.25 N ATOM 275 CA GLN A 20 4.132 -2.902 -11.001 1.00 0.28 C ATOM 276 C GLN A 20 2.719 -2.749 -10.460 1.00 0.28 C ATOM 277 O GLN A 20 1.787 -3.454 -10.852 1.00 0.35 O ATOM 278 CB GLN A 20 4.370 -4.297 -11.587 1.00 0.36 C ATOM 279 CG GLN A 20 5.743 -4.448 -12.218 1.00 0.88 C ATOM 280 CD GLN A 20 5.861 -5.687 -13.079 1.00 1.00 C ATOM 281 OE1 GLN A 20 6.239 -6.756 -12.604 1.00 1.36 O ATOM 282 NE2 GLN A 20 5.544 -5.549 -14.356 1.00 1.60 N ATOM 0 H GLN A 20 5.704 -1.828 -10.132 1.00 0.25 H new ATOM 0 HA GLN A 20 4.287 -2.206 -11.826 1.00 0.28 H new ATOM 0 HB2 GLN A 20 4.254 -5.041 -10.799 1.00 0.36 H new ATOM 0 HB3 GLN A 20 3.607 -4.506 -12.337 1.00 0.36 H new ATOM 0 HG2 GLN A 20 5.958 -3.568 -12.825 1.00 0.88 H new ATOM 0 HG3 GLN A 20 6.497 -4.485 -11.432 1.00 0.88 H new ATOM 0 HE21 GLN A 20 5.235 -4.644 -14.710 1.00 1.60 H new ATOM 0 HE22 GLN A 20 5.609 -6.348 -14.987 1.00 1.60 H new ATOM 291 N GLU A 21 2.603 -1.783 -9.552 1.00 0.29 N ATOM 292 CA GLU A 21 1.385 -1.535 -8.782 1.00 0.36 C ATOM 293 C GLU A 21 0.197 -1.166 -9.673 1.00 0.31 C ATOM 294 O GLU A 21 0.305 -0.321 -10.564 1.00 0.36 O ATOM 295 CB GLU A 21 1.650 -0.412 -7.773 1.00 0.53 C ATOM 296 CG GLU A 21 1.520 -0.834 -6.316 1.00 0.79 C ATOM 297 CD GLU A 21 0.085 -0.950 -5.862 1.00 0.70 C ATOM 298 OE1 GLU A 21 -0.148 -1.257 -4.675 1.00 1.07 O ATOM 299 OE2 GLU A 21 -0.808 -0.729 -6.690 1.00 1.31 O ATOM 0 H GLU A 21 3.363 -1.141 -9.327 1.00 0.29 H new ATOM 0 HA GLU A 21 1.122 -2.458 -8.265 1.00 0.36 H new ATOM 0 HB2 GLU A 21 2.654 -0.021 -7.938 1.00 0.53 H new ATOM 0 HB3 GLU A 21 0.955 0.405 -7.966 1.00 0.53 H new ATOM 0 HG2 GLU A 21 2.019 -1.793 -6.175 1.00 0.79 H new ATOM 0 HG3 GLU A 21 2.037 -0.110 -5.686 1.00 0.79 H new ATOM 306 N PRO A 22 -0.942 -1.841 -9.450 1.00 0.27 N ATOM 307 CA PRO A 22 -2.229 -1.526 -10.094 1.00 0.28 C ATOM 308 C PRO A 22 -2.878 -0.244 -9.565 1.00 0.30 C ATOM 309 O PRO A 22 -3.557 0.471 -10.306 1.00 0.41 O ATOM 310 CB PRO A 22 -3.094 -2.725 -9.707 1.00 0.30 C ATOM 311 CG PRO A 22 -2.538 -3.134 -8.392 1.00 0.31 C ATOM 312 CD PRO A 22 -1.060 -3.013 -8.562 1.00 0.31 C ATOM 0 HA PRO A 22 -2.109 -1.359 -11.164 1.00 0.28 H new ATOM 0 HB2 PRO A 22 -4.147 -2.454 -9.632 1.00 0.30 H new ATOM 0 HB3 PRO A 22 -3.022 -3.527 -10.442 1.00 0.30 H new ATOM 0 HG2 PRO A 22 -2.900 -2.491 -7.590 1.00 0.31 H new ATOM 0 HG3 PRO A 22 -2.827 -4.154 -8.138 1.00 0.31 H new ATOM 0 HD2 PRO A 22 -0.553 -2.855 -7.610 1.00 0.31 H new ATOM 0 HD3 PRO A 22 -0.627 -3.908 -9.009 1.00 0.31 H new ATOM 320 N LYS A 23 -2.678 0.042 -8.287 1.00 0.30 N ATOM 321 CA LYS A 23 -3.336 1.171 -7.643 1.00 0.35 C ATOM 322 C LYS A 23 -2.302 2.215 -7.260 1.00 0.34 C ATOM 323 O LYS A 23 -2.041 2.478 -6.083 1.00 0.45 O ATOM 324 CB LYS A 23 -4.137 0.714 -6.423 1.00 0.42 C ATOM 325 CG LYS A 23 -3.372 -0.229 -5.522 1.00 0.44 C ATOM 326 CD LYS A 23 -4.085 -0.459 -4.214 1.00 0.77 C ATOM 327 CE LYS A 23 -3.325 -1.452 -3.366 1.00 0.73 C ATOM 328 NZ LYS A 23 -3.996 -1.701 -2.066 1.00 1.41 N ATOM 0 H LYS A 23 -2.064 -0.493 -7.673 1.00 0.30 H new ATOM 0 HA LYS A 23 -4.040 1.617 -8.346 1.00 0.35 H new ATOM 0 HB2 LYS A 23 -4.440 1.589 -5.848 1.00 0.42 H new ATOM 0 HB3 LYS A 23 -5.050 0.223 -6.760 1.00 0.42 H new ATOM 0 HG2 LYS A 23 -3.230 -1.182 -6.031 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -2.380 0.179 -5.328 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -4.186 0.484 -3.677 1.00 0.77 H new ATOM 0 HD3 LYS A 23 -5.093 -0.829 -4.402 1.00 0.77 H new ATOM 0 HE2 LYS A 23 -3.226 -2.392 -3.909 1.00 0.73 H new ATOM 0 HE3 LYS A 23 -2.316 -1.079 -3.188 1.00 0.73 H new ATOM 0 HZ1 LYS A 23 -3.458 -1.241 -1.304 1.00 1.41 H new ATOM 0 HZ2 LYS A 23 -4.960 -1.312 -2.093 1.00 1.41 H new ATOM 0 HZ3 LYS A 23 -4.040 -2.725 -1.889 1.00 1.41 H new ATOM 342 N LYS A 24 -1.732 2.817 -8.286 1.00 0.29 N ATOM 343 CA LYS A 24 -0.615 3.734 -8.137 1.00 0.29 C ATOM 344 C LYS A 24 -1.027 5.001 -7.390 1.00 0.31 C ATOM 345 O LYS A 24 -0.183 5.738 -6.884 1.00 0.35 O ATOM 346 CB LYS A 24 -0.064 4.059 -9.521 1.00 0.31 C ATOM 347 CG LYS A 24 0.024 2.824 -10.413 1.00 0.30 C ATOM 348 CD LYS A 24 0.682 3.130 -11.749 1.00 0.42 C ATOM 349 CE LYS A 24 -0.151 4.097 -12.576 1.00 1.15 C ATOM 350 NZ LYS A 24 -1.533 3.588 -12.799 1.00 1.75 N ATOM 0 H LYS A 24 -2.031 2.684 -9.252 1.00 0.29 H new ATOM 0 HA LYS A 24 0.163 3.261 -7.538 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -0.701 4.804 -9.998 1.00 0.31 H new ATOM 0 HB3 LYS A 24 0.926 4.503 -9.420 1.00 0.31 H new ATOM 0 HG2 LYS A 24 0.590 2.046 -9.900 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -0.977 2.429 -10.584 1.00 0.30 H new ATOM 0 HD2 LYS A 24 1.671 3.555 -11.579 1.00 0.42 H new ATOM 0 HD3 LYS A 24 0.824 2.204 -12.306 1.00 0.42 H new ATOM 0 HE2 LYS A 24 -0.196 5.062 -12.070 1.00 1.15 H new ATOM 0 HE3 LYS A 24 0.334 4.264 -13.538 1.00 1.15 H new ATOM 0 HZ1 LYS A 24 -1.979 4.121 -13.573 1.00 1.75 H new ATOM 0 HZ2 LYS A 24 -1.495 2.579 -13.050 1.00 1.75 H new ATOM 0 HZ3 LYS A 24 -2.091 3.708 -11.930 1.00 1.75 H new ATOM 364 N ASP A 25 -2.327 5.248 -7.325 1.00 0.31 N ATOM 365 CA ASP A 25 -2.856 6.367 -6.562 1.00 0.38 C ATOM 366 C ASP A 25 -2.830 6.051 -5.068 1.00 0.31 C ATOM 367 O ASP A 25 -2.519 6.913 -4.245 1.00 0.34 O ATOM 368 CB ASP A 25 -4.277 6.712 -7.021 1.00 0.54 C ATOM 369 CG ASP A 25 -5.261 5.574 -6.829 1.00 1.32 C ATOM 370 OD1 ASP A 25 -4.950 4.438 -7.242 1.00 2.14 O ATOM 371 OD2 ASP A 25 -6.349 5.808 -6.255 1.00 1.87 O ATOM 0 H ASP A 25 -3.037 4.685 -7.794 1.00 0.31 H new ATOM 0 HA ASP A 25 -2.224 7.237 -6.740 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -4.628 7.584 -6.469 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -4.254 6.990 -8.075 1.00 0.54 H new ATOM 376 N LEU A 26 -3.151 4.809 -4.720 1.00 0.28 N ATOM 377 CA LEU A 26 -3.108 4.373 -3.330 1.00 0.31 C ATOM 378 C LEU A 26 -1.655 4.204 -2.885 1.00 0.25 C ATOM 379 O LEU A 26 -1.307 4.510 -1.744 1.00 0.24 O ATOM 380 CB LEU A 26 -3.904 3.073 -3.141 1.00 0.40 C ATOM 381 CG LEU A 26 -4.370 2.777 -1.702 1.00 0.58 C ATOM 382 CD1 LEU A 26 -5.512 1.773 -1.712 1.00 1.33 C ATOM 383 CD2 LEU A 26 -3.225 2.247 -0.847 1.00 1.18 C ATOM 0 H LEU A 26 -3.443 4.089 -5.380 1.00 0.28 H new ATOM 0 HA LEU A 26 -3.574 5.135 -2.705 1.00 0.31 H new ATOM 0 HB2 LEU A 26 -4.781 3.109 -3.787 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -3.290 2.240 -3.483 1.00 0.40 H new ATOM 0 HG LEU A 26 -4.717 3.714 -1.267 1.00 0.58 H new ATOM 0 HD11 LEU A 26 -5.830 1.574 -0.689 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -6.349 2.180 -2.280 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -5.176 0.845 -2.175 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -3.586 2.048 0.162 1.00 1.18 H new ATOM 0 HD22 LEU A 26 -2.842 1.325 -1.284 1.00 1.18 H new ATOM 0 HD23 LEU A 26 -2.427 2.989 -0.807 1.00 1.18 H new ATOM 395 N ILE A 27 -0.804 3.729 -3.792 1.00 0.23 N ATOM 396 CA ILE A 27 0.619 3.610 -3.501 1.00 0.23 C ATOM 397 C ILE A 27 1.226 5.010 -3.310 1.00 0.22 C ATOM 398 O ILE A 27 2.211 5.180 -2.602 1.00 0.24 O ATOM 399 CB ILE A 27 1.376 2.797 -4.595 1.00 0.24 C ATOM 400 CG1 ILE A 27 2.406 1.858 -3.952 1.00 0.28 C ATOM 401 CG2 ILE A 27 2.058 3.706 -5.601 1.00 0.34 C ATOM 402 CD1 ILE A 27 1.804 0.891 -2.956 1.00 0.44 C ATOM 0 H ILE A 27 -1.074 3.423 -4.727 1.00 0.23 H new ATOM 0 HA ILE A 27 0.734 3.049 -2.574 1.00 0.23 H new ATOM 0 HB ILE A 27 0.635 2.203 -5.130 1.00 0.24 H new ATOM 0 HG12 ILE A 27 2.909 1.293 -4.736 1.00 0.28 H new ATOM 0 HG13 ILE A 27 3.167 2.456 -3.451 1.00 0.28 H new ATOM 0 HG21 ILE A 27 2.574 3.101 -6.346 1.00 0.34 H new ATOM 0 HG22 ILE A 27 1.311 4.329 -6.093 1.00 0.34 H new ATOM 0 HG23 ILE A 27 2.779 4.342 -5.087 1.00 0.34 H new ATOM 0 HD11 ILE A 27 2.590 0.259 -2.542 1.00 0.44 H new ATOM 0 HD12 ILE A 27 1.325 1.449 -2.151 1.00 0.44 H new ATOM 0 HD13 ILE A 27 1.063 0.268 -3.456 1.00 0.44 H new ATOM 409 N ALA A 28 0.624 6.010 -3.953 1.00 0.21 N ATOM 410 CA ALA A 28 0.989 7.405 -3.714 1.00 0.21 C ATOM 411 C ALA A 28 0.445 7.872 -2.373 1.00 0.21 C ATOM 412 O ALA A 28 1.053 8.692 -1.687 1.00 0.20 O ATOM 413 CB ALA A 28 0.455 8.308 -4.811 1.00 0.21 C ATOM 0 H ALA A 28 -0.117 5.880 -4.642 1.00 0.21 H new ATOM 0 HA ALA A 28 2.077 7.464 -3.709 1.00 0.21 H new ATOM 0 HB1 ALA A 28 0.742 9.339 -4.606 1.00 0.21 H new ATOM 0 HB2 ALA A 28 0.870 8.000 -5.770 1.00 0.21 H new ATOM 0 HB3 ALA A 28 -0.632 8.234 -4.846 1.00 0.21 H new ATOM 419 N ARG A 29 -0.722 7.360 -2.023 1.00 0.21 N ATOM 420 CA ARG A 29 -1.362 7.698 -0.766 1.00 0.21 C ATOM 421 C ARG A 29 -0.505 7.286 0.426 1.00 0.19 C ATOM 422 O ARG A 29 -0.312 8.074 1.352 1.00 0.17 O ATOM 423 CB ARG A 29 -2.725 7.027 -0.662 1.00 0.22 C ATOM 424 CG ARG A 29 -3.269 7.055 0.746 1.00 0.27 C ATOM 425 CD ARG A 29 -4.455 6.114 0.912 1.00 0.29 C ATOM 426 NE ARG A 29 -5.606 6.540 0.116 1.00 0.64 N ATOM 427 CZ ARG A 29 -6.875 6.246 0.411 1.00 1.11 C ATOM 428 NH1 ARG A 29 -7.159 5.458 1.440 1.00 1.48 N ATOM 429 NH2 ARG A 29 -7.860 6.724 -0.338 1.00 1.47 N ATOM 0 H ARG A 29 -1.249 6.703 -2.598 1.00 0.21 H new ATOM 0 HA ARG A 29 -1.486 8.781 -0.747 1.00 0.21 H new ATOM 0 HB2 ARG A 29 -3.426 7.527 -1.330 1.00 0.22 H new ATOM 0 HB3 ARG A 29 -2.646 5.993 -0.998 1.00 0.22 H new ATOM 0 HG2 ARG A 29 -2.482 6.775 1.446 1.00 0.27 H new ATOM 0 HG3 ARG A 29 -3.573 8.071 0.998 1.00 0.27 H new ATOM 0 HD2 ARG A 29 -4.163 5.106 0.617 1.00 0.29 H new ATOM 0 HD3 ARG A 29 -4.738 6.069 1.964 1.00 0.29 H new ATOM 0 HE ARG A 29 -5.428 7.098 -0.719 1.00 0.64 H new ATOM 0 HH11 ARG A 29 -6.406 5.073 2.011 1.00 1.48 H new ATOM 0 HH12 ARG A 29 -8.130 5.237 1.660 1.00 1.48 H new ATOM 0 HH21 ARG A 29 -7.649 7.317 -1.141 1.00 1.47 H new ATOM 0 HH22 ARG A 29 -8.829 6.499 -0.111 1.00 1.47 H new ATOM 443 N VAL A 30 -0.003 6.050 0.414 1.00 0.21 N ATOM 444 CA VAL A 30 0.833 5.572 1.508 1.00 0.23 C ATOM 445 C VAL A 30 2.051 6.475 1.657 1.00 0.19 C ATOM 446 O VAL A 30 2.467 6.787 2.769 1.00 0.17 O ATOM 447 CB VAL A 30 1.271 4.096 1.327 1.00 0.34 C ATOM 448 CG1 VAL A 30 2.123 3.907 0.087 1.00 1.03 C ATOM 449 CG2 VAL A 30 2.017 3.605 2.555 1.00 1.10 C ATOM 0 H VAL A 30 -0.160 5.372 -0.332 1.00 0.21 H new ATOM 0 HA VAL A 30 0.233 5.609 2.417 1.00 0.23 H new ATOM 0 HB VAL A 30 0.365 3.503 1.200 1.00 0.34 H new ATOM 0 HG11 VAL A 30 2.408 2.859 -0.002 1.00 1.03 H new ATOM 0 HG12 VAL A 30 1.554 4.204 -0.794 1.00 1.03 H new ATOM 0 HG13 VAL A 30 3.020 4.522 0.165 1.00 1.03 H new ATOM 0 HG21 VAL A 30 2.316 2.567 2.408 1.00 1.10 H new ATOM 0 HG22 VAL A 30 2.904 4.219 2.712 1.00 1.10 H new ATOM 0 HG23 VAL A 30 1.368 3.676 3.428 1.00 1.10 H new ATOM 453 N VAL A 31 2.567 6.929 0.520 1.00 0.19 N ATOM 454 CA VAL A 31 3.637 7.915 0.481 1.00 0.19 C ATOM 455 C VAL A 31 3.268 9.129 1.316 1.00 0.17 C ATOM 456 O VAL A 31 4.008 9.538 2.206 1.00 0.20 O ATOM 457 CB VAL A 31 3.862 8.388 -0.967 1.00 0.20 C ATOM 458 CG1 VAL A 31 4.734 9.639 -1.016 1.00 0.20 C ATOM 459 CG2 VAL A 31 4.481 7.291 -1.814 1.00 0.22 C ATOM 0 H VAL A 31 2.254 6.622 -0.401 1.00 0.19 H new ATOM 0 HA VAL A 31 4.540 7.449 0.876 1.00 0.19 H new ATOM 0 HB VAL A 31 2.883 8.635 -1.378 1.00 0.20 H new ATOM 0 HG11 VAL A 31 4.873 9.946 -2.053 1.00 0.20 H new ATOM 0 HG12 VAL A 31 4.249 10.443 -0.462 1.00 0.20 H new ATOM 0 HG13 VAL A 31 5.704 9.424 -0.568 1.00 0.20 H new ATOM 0 HG21 VAL A 31 4.628 7.655 -2.831 1.00 0.22 H new ATOM 0 HG22 VAL A 31 5.443 7.003 -1.390 1.00 0.22 H new ATOM 0 HG23 VAL A 31 3.818 6.426 -1.831 1.00 0.22 H new ATOM 463 N ARG A 32 2.106 9.687 1.021 1.00 0.16 N ATOM 464 CA ARG A 32 1.664 10.905 1.664 1.00 0.19 C ATOM 465 C ARG A 32 1.485 10.698 3.170 1.00 0.18 C ATOM 466 O ARG A 32 1.879 11.544 3.974 1.00 0.23 O ATOM 467 CB ARG A 32 0.355 11.382 1.032 1.00 0.26 C ATOM 468 CG ARG A 32 -0.110 12.733 1.550 1.00 1.08 C ATOM 469 CD ARG A 32 -1.332 13.235 0.801 1.00 1.37 C ATOM 470 NE ARG A 32 -1.738 14.557 1.276 1.00 2.21 N ATOM 471 CZ ARG A 32 -2.554 15.380 0.625 1.00 2.78 C ATOM 472 NH1 ARG A 32 -3.092 15.024 -0.536 1.00 2.81 N ATOM 473 NH2 ARG A 32 -2.840 16.563 1.151 1.00 3.75 N ATOM 0 H ARG A 32 1.451 9.310 0.336 1.00 0.16 H new ATOM 0 HA ARG A 32 2.429 11.668 1.519 1.00 0.19 H new ATOM 0 HB2 ARG A 32 0.482 11.440 -0.049 1.00 0.26 H new ATOM 0 HB3 ARG A 32 -0.422 10.642 1.222 1.00 0.26 H new ATOM 0 HG2 ARG A 32 -0.342 12.655 2.612 1.00 1.08 H new ATOM 0 HG3 ARG A 32 0.699 13.457 1.453 1.00 1.08 H new ATOM 0 HD2 ARG A 32 -1.114 13.280 -0.266 1.00 1.37 H new ATOM 0 HD3 ARG A 32 -2.155 12.531 0.929 1.00 1.37 H new ATOM 0 HE ARG A 32 -1.368 14.871 2.173 1.00 2.21 H new ATOM 0 HH11 ARG A 32 -2.880 14.110 -0.937 1.00 2.81 H new ATOM 0 HH12 ARG A 32 -3.717 15.664 -1.026 1.00 2.81 H new ATOM 0 HH21 ARG A 32 -2.435 16.834 2.047 1.00 3.75 H new ATOM 0 HH22 ARG A 32 -3.465 17.202 0.660 1.00 3.75 H new ATOM 487 N ILE A 33 0.897 9.559 3.536 1.00 0.16 N ATOM 488 CA ILE A 33 0.550 9.273 4.928 1.00 0.17 C ATOM 489 C ILE A 33 1.763 8.898 5.792 1.00 0.18 C ATOM 490 O ILE A 33 1.976 9.498 6.849 1.00 0.22 O ATOM 491 CB ILE A 33 -0.528 8.176 5.020 1.00 0.21 C ATOM 492 CG1 ILE A 33 -1.775 8.630 4.257 1.00 0.30 C ATOM 493 CG2 ILE A 33 -0.869 7.878 6.477 1.00 0.21 C ATOM 494 CD1 ILE A 33 -2.948 7.696 4.396 1.00 0.80 C ATOM 0 H ILE A 33 0.650 8.815 2.883 1.00 0.16 H new ATOM 0 HA ILE A 33 0.150 10.203 5.331 1.00 0.17 H new ATOM 0 HB ILE A 33 -0.146 7.258 4.572 1.00 0.21 H new ATOM 0 HG12 ILE A 33 -2.066 9.619 4.612 1.00 0.30 H new ATOM 0 HG13 ILE A 33 -1.526 8.731 3.201 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.632 7.101 6.520 1.00 0.21 H new ATOM 0 HG22 ILE A 33 0.026 7.537 6.998 1.00 0.21 H new ATOM 0 HG23 ILE A 33 -1.245 8.783 6.955 1.00 0.21 H new ATOM 0 HD11 ILE A 33 -3.793 8.086 3.828 1.00 0.80 H new ATOM 0 HD12 ILE A 33 -2.677 6.712 4.014 1.00 0.80 H new ATOM 0 HD13 ILE A 33 -3.225 7.614 5.447 1.00 0.80 H new ATOM 501 N ILE A 34 2.570 7.926 5.359 1.00 0.20 N ATOM 502 CA ILE A 34 3.692 7.473 6.190 1.00 0.25 C ATOM 503 C ILE A 34 4.895 8.390 6.032 1.00 0.23 C ATOM 504 O ILE A 34 5.767 8.450 6.904 1.00 0.30 O ATOM 505 CB ILE A 34 4.134 6.012 5.903 1.00 0.30 C ATOM 506 CG1 ILE A 34 4.651 5.839 4.469 1.00 0.26 C ATOM 507 CG2 ILE A 34 2.998 5.045 6.173 1.00 0.40 C ATOM 508 CD1 ILE A 34 5.109 4.424 4.146 1.00 0.34 C ATOM 0 H ILE A 34 2.474 7.448 4.463 1.00 0.20 H new ATOM 0 HA ILE A 34 3.319 7.508 7.214 1.00 0.25 H new ATOM 0 HB ILE A 34 4.958 5.787 6.580 1.00 0.30 H new ATOM 0 HG12 ILE A 34 3.863 6.123 3.772 1.00 0.26 H new ATOM 0 HG13 ILE A 34 5.482 6.525 4.307 1.00 0.26 H new ATOM 0 HG21 ILE A 34 3.329 4.027 5.966 1.00 0.40 H new ATOM 0 HG22 ILE A 34 2.695 5.122 7.217 1.00 0.40 H new ATOM 0 HG23 ILE A 34 2.152 5.289 5.531 1.00 0.40 H new ATOM 0 HD11 ILE A 34 5.460 4.382 3.115 1.00 0.34 H new ATOM 0 HD12 ILE A 34 5.920 4.142 4.818 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.275 3.734 4.274 1.00 0.34 H new ATOM 515 N GLY A 35 4.934 9.106 4.927 1.00 0.23 N ATOM 516 CA GLY A 35 6.042 9.985 4.663 1.00 0.24 C ATOM 517 C GLY A 35 6.837 9.526 3.465 1.00 0.22 C ATOM 518 O GLY A 35 6.965 8.325 3.217 1.00 0.26 O ATOM 0 H GLY A 35 4.214 9.093 4.205 1.00 0.23 H new ATOM 0 HA2 GLY A 35 5.673 10.996 4.491 1.00 0.24 H new ATOM 0 HA3 GLY A 35 6.691 10.027 5.538 1.00 0.24 H new ATOM 522 N ASN A 36 7.372 10.480 2.731 1.00 0.30 N ATOM 523 CA ASN A 36 8.119 10.201 1.514 1.00 0.34 C ATOM 524 C ASN A 36 9.379 9.391 1.804 1.00 0.27 C ATOM 525 O ASN A 36 9.714 8.467 1.060 1.00 0.27 O ATOM 526 CB ASN A 36 8.464 11.508 0.782 1.00 0.46 C ATOM 527 CG ASN A 36 9.134 12.550 1.668 1.00 0.55 C ATOM 528 OD1 ASN A 36 8.911 12.609 2.876 1.00 0.91 O ATOM 529 ND2 ASN A 36 9.952 13.393 1.070 1.00 0.71 N ATOM 0 H ASN A 36 7.303 11.472 2.958 1.00 0.30 H new ATOM 0 HA ASN A 36 7.485 9.598 0.864 1.00 0.34 H new ATOM 0 HB2 ASN A 36 9.122 11.281 -0.057 1.00 0.46 H new ATOM 0 HB3 ASN A 36 7.551 11.932 0.365 1.00 0.46 H new ATOM 0 HD21 ASN A 36 10.420 14.120 1.611 1.00 0.71 H new ATOM 0 HD22 ASN A 36 10.117 13.319 0.066 1.00 0.71 H new ATOM 536 N LYS A 37 10.067 9.717 2.891 1.00 0.31 N ATOM 537 CA LYS A 37 11.268 8.980 3.263 1.00 0.33 C ATOM 538 C LYS A 37 10.916 7.590 3.789 1.00 0.27 C ATOM 539 O LYS A 37 11.661 6.636 3.565 1.00 0.31 O ATOM 540 CB LYS A 37 12.138 9.746 4.275 1.00 0.46 C ATOM 541 CG LYS A 37 11.431 10.189 5.552 1.00 1.24 C ATOM 542 CD LYS A 37 10.624 11.462 5.342 1.00 1.85 C ATOM 543 CE LYS A 37 11.498 12.608 4.858 1.00 2.58 C ATOM 544 NZ LYS A 37 10.699 13.826 4.561 1.00 3.19 N ATOM 0 H LYS A 37 9.818 10.477 3.524 1.00 0.31 H new ATOM 0 HA LYS A 37 11.862 8.867 2.356 1.00 0.33 H new ATOM 0 HB2 LYS A 37 12.984 9.116 4.550 1.00 0.46 H new ATOM 0 HB3 LYS A 37 12.545 10.629 3.782 1.00 0.46 H new ATOM 0 HG2 LYS A 37 10.770 9.393 5.896 1.00 1.24 H new ATOM 0 HG3 LYS A 37 12.169 10.352 6.337 1.00 1.24 H new ATOM 0 HD2 LYS A 37 9.833 11.276 4.616 1.00 1.85 H new ATOM 0 HD3 LYS A 37 10.139 11.744 6.277 1.00 1.85 H new ATOM 0 HE2 LYS A 37 12.246 12.840 5.617 1.00 2.58 H new ATOM 0 HE3 LYS A 37 12.038 12.300 3.962 1.00 2.58 H new ATOM 0 HZ1 LYS A 37 11.314 14.550 4.139 1.00 3.19 H new ATOM 0 HZ2 LYS A 37 9.937 13.587 3.895 1.00 3.19 H new ATOM 0 HZ3 LYS A 37 10.286 14.194 5.442 1.00 3.19 H new ATOM 558 N LYS A 38 9.777 7.473 4.476 1.00 0.27 N ATOM 559 CA LYS A 38 9.302 6.173 4.954 1.00 0.27 C ATOM 560 C LYS A 38 9.043 5.243 3.775 1.00 0.24 C ATOM 561 O LYS A 38 9.395 4.063 3.815 1.00 0.32 O ATOM 562 CB LYS A 38 8.032 6.327 5.793 1.00 0.36 C ATOM 563 CG LYS A 38 7.565 5.032 6.450 1.00 1.07 C ATOM 564 CD LYS A 38 8.632 4.439 7.356 1.00 1.33 C ATOM 565 CE LYS A 38 8.972 5.371 8.504 1.00 1.33 C ATOM 566 NZ LYS A 38 10.184 4.922 9.234 1.00 2.45 N ATOM 0 H LYS A 38 9.170 8.258 4.712 1.00 0.27 H new ATOM 0 HA LYS A 38 10.077 5.739 5.587 1.00 0.27 H new ATOM 0 HB2 LYS A 38 8.208 7.073 6.568 1.00 0.36 H new ATOM 0 HB3 LYS A 38 7.233 6.710 5.158 1.00 0.36 H new ATOM 0 HG2 LYS A 38 6.662 5.224 7.030 1.00 1.07 H new ATOM 0 HG3 LYS A 38 7.301 4.309 5.679 1.00 1.07 H new ATOM 0 HD2 LYS A 38 8.284 3.485 7.752 1.00 1.33 H new ATOM 0 HD3 LYS A 38 9.531 4.234 6.775 1.00 1.33 H new ATOM 0 HE2 LYS A 38 9.131 6.379 8.120 1.00 1.33 H new ATOM 0 HE3 LYS A 38 8.129 5.422 9.194 1.00 1.33 H new ATOM 0 HZ1 LYS A 38 10.474 5.657 9.910 1.00 2.45 H new ATOM 0 HZ2 LYS A 38 9.974 4.043 9.748 1.00 2.45 H new ATOM 0 HZ3 LYS A 38 10.954 4.751 8.556 1.00 2.45 H new ATOM 580 N ALA A 39 8.441 5.788 2.723 1.00 0.20 N ATOM 581 CA ALA A 39 8.198 5.031 1.503 1.00 0.22 C ATOM 582 C ALA A 39 9.514 4.549 0.903 1.00 0.24 C ATOM 583 O ALA A 39 9.628 3.402 0.472 1.00 0.29 O ATOM 584 CB ALA A 39 7.428 5.881 0.500 1.00 0.26 C ATOM 0 H ALA A 39 8.112 6.753 2.692 1.00 0.20 H new ATOM 0 HA ALA A 39 7.596 4.157 1.749 1.00 0.22 H new ATOM 0 HB1 ALA A 39 7.253 5.303 -0.408 1.00 0.26 H new ATOM 0 HB2 ALA A 39 6.472 6.177 0.932 1.00 0.26 H new ATOM 0 HB3 ALA A 39 8.008 6.772 0.257 1.00 0.26 H new ATOM 590 N ILE A 40 10.510 5.431 0.903 1.00 0.24 N ATOM 591 CA ILE A 40 11.840 5.096 0.405 1.00 0.32 C ATOM 592 C ILE A 40 12.451 3.960 1.224 1.00 0.30 C ATOM 593 O ILE A 40 13.045 3.032 0.669 1.00 0.35 O ATOM 594 CB ILE A 40 12.784 6.324 0.430 1.00 0.42 C ATOM 595 CG1 ILE A 40 12.270 7.413 -0.520 1.00 0.55 C ATOM 596 CG2 ILE A 40 14.208 5.925 0.067 1.00 0.52 C ATOM 597 CD1 ILE A 40 12.174 6.975 -1.968 1.00 1.13 C ATOM 0 H ILE A 40 10.420 6.388 1.244 1.00 0.24 H new ATOM 0 HA ILE A 40 11.727 4.773 -0.630 1.00 0.32 H new ATOM 0 HB ILE A 40 12.795 6.724 1.444 1.00 0.42 H new ATOM 0 HG12 ILE A 40 11.286 7.738 -0.184 1.00 0.55 H new ATOM 0 HG13 ILE A 40 12.931 8.278 -0.456 1.00 0.55 H new ATOM 0 HG21 ILE A 40 14.850 6.805 0.092 1.00 0.52 H new ATOM 0 HG22 ILE A 40 14.573 5.189 0.783 1.00 0.52 H new ATOM 0 HG23 ILE A 40 14.221 5.495 -0.934 1.00 0.52 H new ATOM 0 HD11 ILE A 40 11.803 7.801 -2.574 1.00 1.13 H new ATOM 0 HD12 ILE A 40 13.160 6.678 -2.324 1.00 1.13 H new ATOM 0 HD13 ILE A 40 11.490 6.130 -2.048 1.00 1.13 H new ATOM 604 N GLU A 41 12.288 4.032 2.544 1.00 0.28 N ATOM 605 CA GLU A 41 12.782 2.987 3.435 1.00 0.32 C ATOM 606 C GLU A 41 12.112 1.655 3.116 1.00 0.31 C ATOM 607 O GLU A 41 12.751 0.605 3.144 1.00 0.37 O ATOM 608 CB GLU A 41 12.529 3.352 4.902 1.00 0.38 C ATOM 609 CG GLU A 41 13.210 4.639 5.346 1.00 0.79 C ATOM 610 CD GLU A 41 13.037 4.914 6.826 1.00 1.42 C ATOM 611 OE1 GLU A 41 11.961 5.399 7.229 1.00 2.10 O ATOM 612 OE2 GLU A 41 13.984 4.651 7.597 1.00 1.57 O ATOM 0 H GLU A 41 11.818 4.803 3.019 1.00 0.28 H new ATOM 0 HA GLU A 41 13.857 2.895 3.278 1.00 0.32 H new ATOM 0 HB2 GLU A 41 11.455 3.447 5.062 1.00 0.38 H new ATOM 0 HB3 GLU A 41 12.874 2.534 5.534 1.00 0.38 H new ATOM 0 HG2 GLU A 41 14.273 4.581 5.114 1.00 0.79 H new ATOM 0 HG3 GLU A 41 12.804 5.475 4.776 1.00 0.79 H new ATOM 619 N LEU A 42 10.825 1.711 2.791 1.00 0.26 N ATOM 620 CA LEU A 42 10.064 0.510 2.480 1.00 0.25 C ATOM 621 C LEU A 42 10.575 -0.158 1.208 1.00 0.24 C ATOM 622 O LEU A 42 10.513 -1.368 1.079 1.00 0.26 O ATOM 623 CB LEU A 42 8.573 0.821 2.357 1.00 0.25 C ATOM 624 CG LEU A 42 7.895 1.276 3.651 1.00 0.28 C ATOM 625 CD1 LEU A 42 6.418 1.515 3.414 1.00 0.29 C ATOM 626 CD2 LEU A 42 8.089 0.249 4.755 1.00 0.28 C ATOM 0 H LEU A 42 10.288 2.577 2.737 1.00 0.26 H new ATOM 0 HA LEU A 42 10.203 -0.187 3.307 1.00 0.25 H new ATOM 0 HB2 LEU A 42 8.441 1.598 1.604 1.00 0.25 H new ATOM 0 HB3 LEU A 42 8.061 -0.069 1.991 1.00 0.25 H new ATOM 0 HG LEU A 42 8.358 2.210 3.967 1.00 0.28 H new ATOM 0 HD11 LEU A 42 5.948 1.838 4.343 1.00 0.29 H new ATOM 0 HD12 LEU A 42 6.292 2.287 2.655 1.00 0.29 H new ATOM 0 HD13 LEU A 42 5.950 0.591 3.073 1.00 0.29 H new ATOM 0 HD21 LEU A 42 7.598 0.595 5.664 1.00 0.28 H new ATOM 0 HD22 LEU A 42 7.654 -0.702 4.448 1.00 0.28 H new ATOM 0 HD23 LEU A 42 9.154 0.116 4.946 1.00 0.28 H new ATOM 638 N LEU A 43 11.091 0.621 0.269 1.00 0.28 N ATOM 639 CA LEU A 43 11.681 0.043 -0.937 1.00 0.33 C ATOM 640 C LEU A 43 12.883 -0.831 -0.587 1.00 0.31 C ATOM 641 O LEU A 43 13.228 -1.747 -1.320 1.00 0.38 O ATOM 642 CB LEU A 43 12.078 1.108 -1.955 1.00 0.46 C ATOM 643 CG LEU A 43 10.943 1.699 -2.800 1.00 0.52 C ATOM 644 CD1 LEU A 43 9.642 0.921 -2.612 1.00 1.36 C ATOM 645 CD2 LEU A 43 10.760 3.171 -2.476 1.00 1.24 C ATOM 0 H LEU A 43 11.115 1.640 0.313 1.00 0.28 H new ATOM 0 HA LEU A 43 10.913 -0.578 -1.399 1.00 0.33 H new ATOM 0 HB2 LEU A 43 12.568 1.923 -1.423 1.00 0.46 H new ATOM 0 HB3 LEU A 43 12.818 0.677 -2.630 1.00 0.46 H new ATOM 0 HG LEU A 43 11.218 1.610 -3.851 1.00 0.52 H new ATOM 0 HD11 LEU A 43 8.859 1.367 -3.225 1.00 1.36 H new ATOM 0 HD12 LEU A 43 9.792 -0.116 -2.912 1.00 1.36 H new ATOM 0 HD13 LEU A 43 9.345 0.956 -1.564 1.00 1.36 H new ATOM 0 HD21 LEU A 43 9.951 3.579 -3.082 1.00 1.24 H new ATOM 0 HD22 LEU A 43 10.514 3.283 -1.420 1.00 1.24 H new ATOM 0 HD23 LEU A 43 11.683 3.709 -2.693 1.00 1.24 H new ATOM 657 N MET A 44 13.562 -0.510 0.502 1.00 0.28 N ATOM 658 CA MET A 44 14.601 -1.390 1.017 1.00 0.32 C ATOM 659 C MET A 44 13.964 -2.591 1.711 1.00 0.34 C ATOM 660 O MET A 44 14.476 -3.710 1.653 1.00 0.44 O ATOM 661 CB MET A 44 15.518 -0.647 1.987 1.00 0.33 C ATOM 662 CG MET A 44 16.266 0.509 1.347 1.00 0.93 C ATOM 663 SD MET A 44 17.395 1.326 2.491 1.00 1.99 S ATOM 664 CE MET A 44 18.540 -0.010 2.832 1.00 2.20 C ATOM 0 H MET A 44 13.416 0.343 1.042 1.00 0.28 H new ATOM 0 HA MET A 44 15.206 -1.736 0.179 1.00 0.32 H new ATOM 0 HB2 MET A 44 14.924 -0.269 2.819 1.00 0.33 H new ATOM 0 HB3 MET A 44 16.239 -1.350 2.404 1.00 0.33 H new ATOM 0 HG2 MET A 44 16.828 0.142 0.488 1.00 0.93 H new ATOM 0 HG3 MET A 44 15.548 1.237 0.970 1.00 0.93 H new ATOM 0 HE1 MET A 44 19.485 0.402 3.186 1.00 2.20 H new ATOM 0 HE2 MET A 44 18.120 -0.663 3.597 1.00 2.20 H new ATOM 0 HE3 MET A 44 18.713 -0.583 1.921 1.00 2.20 H new ATOM 674 N GLU A 45 12.833 -2.343 2.361 1.00 0.32 N ATOM 675 CA GLU A 45 12.114 -3.381 3.089 1.00 0.42 C ATOM 676 C GLU A 45 11.476 -4.398 2.133 1.00 0.42 C ATOM 677 O GLU A 45 11.254 -5.546 2.516 1.00 0.53 O ATOM 678 CB GLU A 45 11.035 -2.768 3.991 1.00 0.48 C ATOM 679 CG GLU A 45 11.529 -1.654 4.907 1.00 1.12 C ATOM 680 CD GLU A 45 12.677 -2.073 5.802 1.00 1.39 C ATOM 681 OE1 GLU A 45 13.842 -1.820 5.433 1.00 1.78 O ATOM 682 OE2 GLU A 45 12.422 -2.636 6.886 1.00 1.83 O ATOM 0 H GLU A 45 12.391 -1.424 2.398 1.00 0.32 H new ATOM 0 HA GLU A 45 12.842 -3.903 3.710 1.00 0.42 H new ATOM 0 HB2 GLU A 45 10.235 -2.376 3.363 1.00 0.48 H new ATOM 0 HB3 GLU A 45 10.601 -3.558 4.604 1.00 0.48 H new ATOM 0 HG2 GLU A 45 11.844 -0.806 4.298 1.00 1.12 H new ATOM 0 HG3 GLU A 45 10.701 -1.311 5.528 1.00 1.12 H new ATOM 689 N THR A 46 11.161 -3.979 0.901 1.00 0.35 N ATOM 690 CA THR A 46 10.613 -4.901 -0.096 1.00 0.42 C ATOM 691 C THR A 46 11.577 -6.061 -0.294 1.00 0.52 C ATOM 692 O THR A 46 11.180 -7.221 -0.257 1.00 0.57 O ATOM 693 CB THR A 46 10.359 -4.228 -1.464 1.00 0.46 C ATOM 694 OG1 THR A 46 11.551 -3.605 -1.932 1.00 1.03 O ATOM 695 CG2 THR A 46 9.241 -3.200 -1.387 1.00 0.66 C ATOM 0 H THR A 46 11.275 -3.019 0.575 1.00 0.35 H new ATOM 0 HA THR A 46 9.652 -5.246 0.285 1.00 0.42 H new ATOM 0 HB THR A 46 10.053 -5.007 -2.162 1.00 0.46 H new ATOM 0 HG1 THR A 46 11.898 -3.002 -1.242 1.00 1.03 H new ATOM 0 HG21 THR A 46 9.093 -2.749 -2.368 1.00 0.66 H new ATOM 0 HG22 THR A 46 8.320 -3.688 -1.069 1.00 0.66 H new ATOM 0 HG23 THR A 46 9.508 -2.425 -0.668 1.00 0.66 H new ATOM 703 N ALA A 47 12.857 -5.730 -0.465 1.00 0.58 N ATOM 704 CA ALA A 47 13.905 -6.729 -0.638 1.00 0.71 C ATOM 705 C ALA A 47 14.058 -7.579 0.616 1.00 0.76 C ATOM 706 O ALA A 47 14.331 -8.780 0.539 1.00 0.88 O ATOM 707 CB ALA A 47 15.224 -6.059 -0.983 1.00 0.78 C ATOM 0 H ALA A 47 13.193 -4.767 -0.487 1.00 0.58 H new ATOM 0 HA ALA A 47 13.617 -7.383 -1.461 1.00 0.71 H new ATOM 0 HB1 ALA A 47 15.996 -6.818 -1.109 1.00 0.78 H new ATOM 0 HB2 ALA A 47 15.115 -5.496 -1.910 1.00 0.78 H new ATOM 0 HB3 ALA A 47 15.509 -5.381 -0.178 1.00 0.78 H new ATOM 713 N GLU A 48 13.880 -6.948 1.770 1.00 0.74 N ATOM 714 CA GLU A 48 13.915 -7.650 3.046 1.00 0.85 C ATOM 715 C GLU A 48 12.839 -8.731 3.064 1.00 0.78 C ATOM 716 O GLU A 48 13.104 -9.888 3.370 1.00 0.94 O ATOM 717 CB GLU A 48 13.697 -6.663 4.196 1.00 0.94 C ATOM 718 CG GLU A 48 13.881 -7.265 5.580 1.00 1.48 C ATOM 719 CD GLU A 48 15.308 -7.704 5.842 1.00 1.79 C ATOM 720 OE1 GLU A 48 15.513 -8.854 6.277 1.00 2.51 O ATOM 721 OE2 GLU A 48 16.235 -6.894 5.619 1.00 1.88 O ATOM 0 H GLU A 48 13.709 -5.945 1.848 1.00 0.74 H new ATOM 0 HA GLU A 48 14.891 -8.118 3.173 1.00 0.85 H new ATOM 0 HB2 GLU A 48 14.390 -5.829 4.080 1.00 0.94 H new ATOM 0 HB3 GLU A 48 12.690 -6.253 4.122 1.00 0.94 H new ATOM 0 HG2 GLU A 48 13.586 -6.533 6.332 1.00 1.48 H new ATOM 0 HG3 GLU A 48 13.216 -8.121 5.691 1.00 1.48 H new ATOM 728 N VAL A 49 11.628 -8.354 2.696 1.00 0.60 N ATOM 729 CA VAL A 49 10.530 -9.301 2.631 1.00 0.55 C ATOM 730 C VAL A 49 10.717 -10.270 1.465 1.00 0.65 C ATOM 731 O VAL A 49 10.334 -11.436 1.548 1.00 0.76 O ATOM 732 CB VAL A 49 9.173 -8.581 2.515 1.00 0.47 C ATOM 733 CG1 VAL A 49 8.052 -9.571 2.264 1.00 0.57 C ATOM 734 CG2 VAL A 49 8.892 -7.785 3.776 1.00 0.59 C ATOM 0 H VAL A 49 11.380 -7.399 2.438 1.00 0.60 H new ATOM 0 HA VAL A 49 10.532 -9.870 3.561 1.00 0.55 H new ATOM 0 HB VAL A 49 9.223 -7.899 1.666 1.00 0.47 H new ATOM 0 HG11 VAL A 49 7.105 -9.037 2.186 1.00 0.57 H new ATOM 0 HG12 VAL A 49 8.243 -10.109 1.335 1.00 0.57 H new ATOM 0 HG13 VAL A 49 8.001 -10.280 3.090 1.00 0.57 H new ATOM 0 HG21 VAL A 49 7.930 -7.281 3.681 1.00 0.59 H new ATOM 0 HG22 VAL A 49 8.866 -8.458 4.633 1.00 0.59 H new ATOM 0 HG23 VAL A 49 9.678 -7.043 3.921 1.00 0.59 H new ATOM 738 N GLU A 50 11.310 -9.787 0.380 1.00 0.70 N ATOM 739 CA GLU A 50 11.598 -10.622 -0.782 1.00 0.91 C ATOM 740 C GLU A 50 12.517 -11.782 -0.425 1.00 1.07 C ATOM 741 O GLU A 50 12.384 -12.873 -0.975 1.00 1.22 O ATOM 742 CB GLU A 50 12.214 -9.785 -1.902 1.00 1.03 C ATOM 743 CG GLU A 50 11.181 -9.100 -2.784 1.00 1.14 C ATOM 744 CD GLU A 50 10.484 -10.073 -3.711 1.00 1.46 C ATOM 745 OE1 GLU A 50 9.505 -10.713 -3.272 1.00 1.81 O ATOM 746 OE2 GLU A 50 10.891 -10.192 -4.884 1.00 1.96 O ATOM 0 H GLU A 50 11.603 -8.815 0.280 1.00 0.70 H new ATOM 0 HA GLU A 50 10.653 -11.040 -1.129 1.00 0.91 H new ATOM 0 HB2 GLU A 50 12.865 -9.029 -1.464 1.00 1.03 H new ATOM 0 HB3 GLU A 50 12.841 -10.426 -2.521 1.00 1.03 H new ATOM 0 HG2 GLU A 50 10.440 -8.605 -2.156 1.00 1.14 H new ATOM 0 HG3 GLU A 50 11.668 -8.324 -3.374 1.00 1.14 H new ATOM 753 N GLN A 51 13.438 -11.551 0.501 1.00 1.10 N ATOM 754 CA GLN A 51 14.361 -12.597 0.918 1.00 1.31 C ATOM 755 C GLN A 51 13.716 -13.496 1.970 1.00 1.39 C ATOM 756 O GLN A 51 14.107 -14.652 2.139 1.00 1.61 O ATOM 757 CB GLN A 51 15.661 -11.993 1.455 1.00 1.34 C ATOM 758 CG GLN A 51 15.572 -11.432 2.865 1.00 1.24 C ATOM 759 CD GLN A 51 16.860 -10.766 3.305 1.00 1.70 C ATOM 760 OE1 GLN A 51 17.603 -10.217 2.489 1.00 2.25 O ATOM 761 NE2 GLN A 51 17.131 -10.806 4.598 1.00 2.01 N ATOM 0 H GLN A 51 13.565 -10.656 0.974 1.00 1.10 H new ATOM 0 HA GLN A 51 14.601 -13.204 0.045 1.00 1.31 H new ATOM 0 HB2 GLN A 51 16.437 -12.759 1.433 1.00 1.34 H new ATOM 0 HB3 GLN A 51 15.980 -11.197 0.782 1.00 1.34 H new ATOM 0 HG2 GLN A 51 14.757 -10.709 2.915 1.00 1.24 H new ATOM 0 HG3 GLN A 51 15.327 -12.237 3.558 1.00 1.24 H new ATOM 0 HE21 GLN A 51 16.489 -11.271 5.240 1.00 2.01 H new ATOM 0 HE22 GLN A 51 17.982 -10.372 4.954 1.00 2.01 H new ATOM 770 N ASN A 52 12.727 -12.957 2.674 1.00 1.22 N ATOM 771 CA ASN A 52 12.050 -13.695 3.735 1.00 1.34 C ATOM 772 C ASN A 52 10.868 -14.493 3.185 1.00 1.34 C ATOM 773 O ASN A 52 10.507 -15.541 3.716 1.00 1.53 O ATOM 774 CB ASN A 52 11.546 -12.724 4.807 1.00 1.26 C ATOM 775 CG ASN A 52 12.651 -12.071 5.618 1.00 1.72 C ATOM 776 OD1 ASN A 52 12.496 -10.945 6.091 1.00 2.34 O ATOM 777 ND2 ASN A 52 13.768 -12.761 5.794 1.00 2.03 N ATOM 0 H ASN A 52 12.376 -12.010 2.529 1.00 1.22 H new ATOM 0 HA ASN A 52 12.768 -14.390 4.171 1.00 1.34 H new ATOM 0 HB2 ASN A 52 10.953 -11.945 4.327 1.00 1.26 H new ATOM 0 HB3 ASN A 52 10.881 -13.260 5.484 1.00 1.26 H new ATOM 0 HD21 ASN A 52 14.534 -12.362 6.336 1.00 2.03 H new ATOM 0 HD22 ASN A 52 13.862 -13.692 5.387 1.00 2.03 H new ATOM 784 N GLY A 53 10.298 -14.000 2.091 1.00 1.22 N ATOM 785 CA GLY A 53 9.180 -14.666 1.446 1.00 1.33 C ATOM 786 C GLY A 53 7.902 -14.632 2.269 1.00 0.94 C ATOM 787 O GLY A 53 7.263 -15.663 2.453 1.00 1.13 O ATOM 0 H GLY A 53 10.595 -13.138 1.633 1.00 1.22 H new ATOM 0 HA2 GLY A 53 8.994 -14.196 0.480 1.00 1.33 H new ATOM 0 HA3 GLY A 53 9.449 -15.704 1.249 1.00 1.33 H new ATOM 791 N GLY A 54 7.505 -13.453 2.747 1.00 0.62 N ATOM 792 CA GLY A 54 6.324 -13.379 3.595 1.00 0.72 C ATOM 793 C GLY A 54 5.343 -12.286 3.204 1.00 0.50 C ATOM 794 O GLY A 54 5.704 -11.118 3.163 1.00 0.89 O ATOM 0 H GLY A 54 7.970 -12.563 2.567 1.00 0.62 H new ATOM 0 HA2 GLY A 54 5.810 -14.340 3.567 1.00 0.72 H new ATOM 0 HA3 GLY A 54 6.640 -13.216 4.625 1.00 0.72 H new ATOM 798 N LEU A 55 4.107 -12.673 2.902 1.00 0.68 N ATOM 799 CA LEU A 55 3.022 -11.711 2.697 1.00 0.60 C ATOM 800 C LEU A 55 1.676 -12.423 2.729 1.00 0.60 C ATOM 801 O LEU A 55 1.444 -13.367 1.978 1.00 0.63 O ATOM 802 CB LEU A 55 3.200 -10.955 1.357 1.00 0.64 C ATOM 803 CG LEU A 55 2.081 -9.982 0.929 1.00 0.65 C ATOM 804 CD1 LEU A 55 0.963 -10.718 0.210 1.00 1.38 C ATOM 805 CD2 LEU A 55 1.527 -9.212 2.119 1.00 1.19 C ATOM 0 H LEU A 55 3.829 -13.648 2.793 1.00 0.68 H new ATOM 0 HA LEU A 55 3.054 -10.981 3.505 1.00 0.60 H new ATOM 0 HB2 LEU A 55 4.132 -10.392 1.411 1.00 0.64 H new ATOM 0 HB3 LEU A 55 3.320 -11.696 0.567 1.00 0.64 H new ATOM 0 HG LEU A 55 2.523 -9.264 0.238 1.00 0.65 H new ATOM 0 HD11 LEU A 55 0.188 -10.008 -0.080 1.00 1.38 H new ATOM 0 HD12 LEU A 55 1.361 -11.205 -0.680 1.00 1.38 H new ATOM 0 HD13 LEU A 55 0.536 -11.470 0.874 1.00 1.38 H new ATOM 0 HD21 LEU A 55 0.741 -8.536 1.781 1.00 1.19 H new ATOM 0 HD22 LEU A 55 1.116 -9.912 2.846 1.00 1.19 H new ATOM 0 HD23 LEU A 55 2.327 -8.635 2.583 1.00 1.19 H new ATOM 817 N PHE A 56 0.795 -11.946 3.588 1.00 0.62 N ATOM 818 CA PHE A 56 -0.582 -12.397 3.609 1.00 0.66 C ATOM 819 C PHE A 56 -1.492 -11.207 3.330 1.00 0.63 C ATOM 820 O PHE A 56 -1.541 -10.249 4.104 1.00 0.71 O ATOM 821 CB PHE A 56 -0.918 -13.039 4.954 1.00 0.78 C ATOM 822 CG PHE A 56 -0.053 -14.223 5.284 1.00 1.13 C ATOM 823 CD1 PHE A 56 1.093 -14.066 6.045 1.00 2.02 C ATOM 824 CD2 PHE A 56 -0.392 -15.492 4.842 1.00 1.07 C ATOM 825 CE1 PHE A 56 1.886 -15.154 6.358 1.00 2.87 C ATOM 826 CE2 PHE A 56 0.397 -16.580 5.151 1.00 1.81 C ATOM 827 CZ PHE A 56 1.554 -16.410 5.879 1.00 2.74 C ATOM 0 H PHE A 56 1.013 -11.237 4.288 1.00 0.62 H new ATOM 0 HA PHE A 56 -0.732 -13.154 2.839 1.00 0.66 H new ATOM 0 HB2 PHE A 56 -0.814 -12.292 5.741 1.00 0.78 H new ATOM 0 HB3 PHE A 56 -1.962 -13.352 4.948 1.00 0.78 H new ATOM 0 HD1 PHE A 56 1.370 -13.084 6.398 1.00 2.02 H new ATOM 0 HD2 PHE A 56 -1.284 -15.630 4.249 1.00 1.07 H new ATOM 0 HE1 PHE A 56 2.763 -15.025 6.975 1.00 2.87 H new ATOM 0 HE2 PHE A 56 0.107 -17.567 4.822 1.00 1.81 H new ATOM 0 HZ PHE A 56 2.200 -17.253 6.075 1.00 2.74 H new ATOM 837 N ILE A 57 -2.165 -11.254 2.195 1.00 0.57 N ATOM 838 CA ILE A 57 -3.001 -10.154 1.738 1.00 0.53 C ATOM 839 C ILE A 57 -4.417 -10.247 2.290 1.00 0.58 C ATOM 840 O ILE A 57 -4.643 -10.937 3.286 1.00 0.68 O ATOM 841 CB ILE A 57 -3.027 -10.103 0.205 1.00 0.51 C ATOM 842 CG1 ILE A 57 -2.857 -11.502 -0.385 1.00 0.53 C ATOM 843 CG2 ILE A 57 -1.959 -9.157 -0.308 1.00 0.52 C ATOM 844 CD1 ILE A 57 -2.541 -11.479 -1.854 1.00 0.61 C ATOM 0 H ILE A 57 -2.149 -12.054 1.563 1.00 0.57 H new ATOM 0 HA ILE A 57 -2.562 -9.231 2.118 1.00 0.53 H new ATOM 0 HB ILE A 57 -3.998 -9.724 -0.115 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -2.059 -12.021 0.146 1.00 0.53 H new ATOM 0 HG13 ILE A 57 -3.771 -12.073 -0.223 1.00 0.53 H new ATOM 0 HG21 ILE A 57 -1.989 -9.131 -1.397 1.00 0.52 H new ATOM 0 HG22 ILE A 57 -2.140 -8.156 0.084 1.00 0.52 H new ATOM 0 HG23 ILE A 57 -0.979 -9.503 0.020 1.00 0.52 H new ATOM 0 HD11 ILE A 57 -2.431 -12.500 -2.219 1.00 0.61 H new ATOM 0 HD12 ILE A 57 -3.351 -10.987 -2.393 1.00 0.61 H new ATOM 0 HD13 ILE A 57 -1.612 -10.933 -2.018 1.00 0.61 H new ATOM 851 N MET A 58 -5.357 -9.537 1.645 1.00 0.56 N ATOM 852 CA MET A 58 -6.745 -9.458 2.108 1.00 0.61 C ATOM 853 C MET A 58 -7.264 -10.837 2.518 1.00 0.70 C ATOM 854 O MET A 58 -7.833 -11.005 3.595 1.00 0.79 O ATOM 855 CB MET A 58 -7.677 -8.907 1.019 1.00 0.75 C ATOM 856 CG MET A 58 -7.163 -7.705 0.229 1.00 0.60 C ATOM 857 SD MET A 58 -8.529 -6.624 -0.270 1.00 0.77 S ATOM 858 CE MET A 58 -7.941 -5.914 -1.813 1.00 0.91 C ATOM 0 H MET A 58 -5.174 -9.006 0.794 1.00 0.56 H new ATOM 0 HA MET A 58 -6.746 -8.783 2.964 1.00 0.61 H new ATOM 0 HB2 MET A 58 -7.893 -9.711 0.315 1.00 0.75 H new ATOM 0 HB3 MET A 58 -8.622 -8.630 1.486 1.00 0.75 H new ATOM 0 HG2 MET A 58 -6.453 -7.143 0.836 1.00 0.60 H new ATOM 0 HG3 MET A 58 -6.625 -8.049 -0.655 1.00 0.60 H new ATOM 0 HE1 MET A 58 -8.695 -5.235 -2.212 1.00 0.91 H new ATOM 0 HE2 MET A 58 -7.017 -5.365 -1.632 1.00 0.91 H new ATOM 0 HE3 MET A 58 -7.754 -6.711 -2.532 1.00 0.91 H new ATOM 868 N ASN A 59 -7.050 -11.815 1.648 1.00 0.78 N ATOM 869 CA ASN A 59 -7.451 -13.190 1.923 1.00 0.98 C ATOM 870 C ASN A 59 -6.242 -14.075 2.202 1.00 0.95 C ATOM 871 O ASN A 59 -6.344 -15.069 2.915 1.00 1.12 O ATOM 872 CB ASN A 59 -8.263 -13.761 0.756 1.00 1.17 C ATOM 873 CG ASN A 59 -7.720 -13.350 -0.601 1.00 1.50 C ATOM 874 OD1 ASN A 59 -8.123 -12.333 -1.151 1.00 2.28 O ATOM 875 ND2 ASN A 59 -6.791 -14.119 -1.147 1.00 1.66 N ATOM 0 H ASN A 59 -6.599 -11.682 0.743 1.00 0.78 H new ATOM 0 HA ASN A 59 -8.077 -13.178 2.815 1.00 0.98 H new ATOM 0 HB2 ASN A 59 -8.271 -14.849 0.824 1.00 1.17 H new ATOM 0 HB3 ASN A 59 -9.297 -13.429 0.843 1.00 1.17 H new ATOM 0 HD21 ASN A 59 -6.390 -13.870 -2.051 1.00 1.66 H new ATOM 0 HD22 ASN A 59 -6.476 -14.960 -0.663 1.00 1.66 H new ATOM 882 N GLY A 60 -5.101 -13.718 1.624 1.00 0.86 N ATOM 883 CA GLY A 60 -3.883 -14.481 1.844 1.00 0.96 C ATOM 884 C GLY A 60 -3.720 -15.628 0.864 1.00 1.09 C ATOM 885 O GLY A 60 -2.621 -16.135 0.682 1.00 1.21 O ATOM 0 H GLY A 60 -4.996 -12.913 1.006 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -3.024 -13.815 1.763 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -3.886 -14.875 2.860 1.00 0.96 H new ATOM 889 N SER A 61 -4.818 -16.024 0.232 1.00 1.15 N ATOM 890 CA SER A 61 -4.805 -17.092 -0.767 1.00 1.32 C ATOM 891 C SER A 61 -3.833 -16.800 -1.911 1.00 1.22 C ATOM 892 O SER A 61 -3.057 -17.665 -2.311 1.00 1.35 O ATOM 893 CB SER A 61 -6.210 -17.274 -1.322 1.00 1.51 C ATOM 894 OG SER A 61 -7.126 -17.551 -0.279 1.00 2.18 O ATOM 0 H SER A 61 -5.739 -15.618 0.394 1.00 1.15 H new ATOM 0 HA SER A 61 -4.467 -18.005 -0.277 1.00 1.32 H new ATOM 0 HB2 SER A 61 -6.517 -16.373 -1.853 1.00 1.51 H new ATOM 0 HB3 SER A 61 -6.218 -18.089 -2.046 1.00 1.51 H new ATOM 0 HG SER A 61 -8.024 -17.663 -0.654 1.00 2.18 H new ATOM 900 N ARG A 62 -3.874 -15.576 -2.427 1.00 1.08 N ATOM 901 CA ARG A 62 -2.984 -15.166 -3.512 1.00 1.05 C ATOM 902 C ARG A 62 -1.652 -14.715 -2.928 1.00 1.03 C ATOM 903 O ARG A 62 -1.077 -13.703 -3.325 1.00 1.46 O ATOM 904 CB ARG A 62 -3.616 -14.032 -4.303 1.00 1.14 C ATOM 905 CG ARG A 62 -5.070 -14.279 -4.649 1.00 1.69 C ATOM 906 CD ARG A 62 -5.691 -13.032 -5.230 1.00 1.79 C ATOM 907 NE ARG A 62 -5.300 -12.822 -6.623 1.00 2.06 N ATOM 908 CZ ARG A 62 -4.943 -11.648 -7.139 1.00 2.25 C ATOM 909 NH1 ARG A 62 -4.917 -10.559 -6.382 1.00 2.23 N ATOM 910 NH2 ARG A 62 -4.627 -11.566 -8.423 1.00 2.89 N ATOM 0 H ARG A 62 -4.515 -14.848 -2.112 1.00 1.08 H new ATOM 0 HA ARG A 62 -2.818 -16.009 -4.182 1.00 1.05 H new ATOM 0 HB2 ARG A 62 -3.539 -13.110 -3.727 1.00 1.14 H new ATOM 0 HB3 ARG A 62 -3.051 -13.882 -5.223 1.00 1.14 H new ATOM 0 HG2 ARG A 62 -5.146 -15.098 -5.364 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -5.616 -14.583 -3.756 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -6.777 -13.104 -5.165 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -5.393 -12.168 -4.636 1.00 1.79 H new ATOM 0 HE ARG A 62 -5.301 -13.632 -7.243 1.00 2.06 H new ATOM 0 HH11 ARG A 62 -5.172 -10.617 -5.396 1.00 2.23 H new ATOM 0 HH12 ARG A 62 -4.642 -9.664 -6.786 1.00 2.23 H new ATOM 0 HH21 ARG A 62 -4.658 -12.400 -9.010 1.00 2.89 H new ATOM 0 HH22 ARG A 62 -4.353 -10.669 -8.824 1.00 2.89 H new ATOM 924 N ARG A 63 -1.203 -15.502 -1.972 1.00 0.89 N ATOM 925 CA ARG A 63 -0.059 -15.193 -1.125 1.00 0.87 C ATOM 926 C ARG A 63 1.149 -14.697 -1.925 1.00 0.75 C ATOM 927 O ARG A 63 1.563 -15.326 -2.901 1.00 0.75 O ATOM 928 CB ARG A 63 0.314 -16.442 -0.327 1.00 0.98 C ATOM 929 CG ARG A 63 1.236 -16.185 0.849 1.00 1.56 C ATOM 930 CD ARG A 63 1.471 -17.459 1.645 1.00 1.54 C ATOM 931 NE ARG A 63 2.091 -18.496 0.829 1.00 2.34 N ATOM 932 CZ ARG A 63 1.644 -19.744 0.738 1.00 2.60 C ATOM 933 NH1 ARG A 63 0.581 -20.133 1.437 1.00 2.07 N ATOM 934 NH2 ARG A 63 2.264 -20.606 -0.055 1.00 3.59 N ATOM 0 H ARG A 63 -1.633 -16.401 -1.753 1.00 0.89 H new ATOM 0 HA ARG A 63 -0.344 -14.381 -0.456 1.00 0.87 H new ATOM 0 HB2 ARG A 63 -0.600 -16.910 0.039 1.00 0.98 H new ATOM 0 HB3 ARG A 63 0.791 -17.157 -0.997 1.00 0.98 H new ATOM 0 HG2 ARG A 63 2.189 -15.795 0.491 1.00 1.56 H new ATOM 0 HG3 ARG A 63 0.802 -15.422 1.496 1.00 1.56 H new ATOM 0 HD2 ARG A 63 2.108 -17.241 2.502 1.00 1.54 H new ATOM 0 HD3 ARG A 63 0.522 -17.823 2.038 1.00 1.54 H new ATOM 0 HE ARG A 63 2.922 -18.247 0.293 1.00 2.34 H new ATOM 0 HH11 ARG A 63 0.103 -19.471 2.048 1.00 2.07 H new ATOM 0 HH12 ARG A 63 0.244 -21.093 1.361 1.00 2.07 H new ATOM 0 HH21 ARG A 63 3.080 -20.310 -0.591 1.00 3.59 H new ATOM 0 HH22 ARG A 63 1.926 -21.565 -0.129 1.00 3.59 H new ATOM 948 N ARG A 64 1.703 -13.572 -1.478 1.00 0.70 N ATOM 949 CA ARG A 64 2.843 -12.918 -2.127 1.00 0.62 C ATOM 950 C ARG A 64 2.518 -12.419 -3.531 1.00 0.57 C ATOM 951 O ARG A 64 2.973 -12.975 -4.531 1.00 0.77 O ATOM 952 CB ARG A 64 4.081 -13.819 -2.162 1.00 0.71 C ATOM 953 CG ARG A 64 4.786 -13.941 -0.827 1.00 0.77 C ATOM 954 CD ARG A 64 5.317 -12.594 -0.380 1.00 0.75 C ATOM 955 NE ARG A 64 6.762 -12.608 -0.172 1.00 1.06 N ATOM 956 CZ ARG A 64 7.656 -12.253 -1.098 1.00 1.34 C ATOM 957 NH1 ARG A 64 7.274 -11.933 -2.323 1.00 1.98 N ATOM 958 NH2 ARG A 64 8.948 -12.230 -0.809 1.00 1.56 N ATOM 0 H ARG A 64 1.372 -13.082 -0.647 1.00 0.70 H new ATOM 0 HA ARG A 64 3.068 -12.047 -1.511 1.00 0.62 H new ATOM 0 HB2 ARG A 64 3.786 -14.813 -2.499 1.00 0.71 H new ATOM 0 HB3 ARG A 64 4.783 -13.428 -2.899 1.00 0.71 H new ATOM 0 HG2 ARG A 64 4.096 -14.332 -0.079 1.00 0.77 H new ATOM 0 HG3 ARG A 64 5.607 -14.653 -0.907 1.00 0.77 H new ATOM 0 HD2 ARG A 64 5.067 -11.841 -1.128 1.00 0.75 H new ATOM 0 HD3 ARG A 64 4.822 -12.300 0.546 1.00 0.75 H new ATOM 0 HE ARG A 64 7.111 -12.908 0.738 1.00 1.06 H new ATOM 0 HH11 ARG A 64 6.285 -11.955 -2.571 1.00 1.98 H new ATOM 0 HH12 ARG A 64 7.969 -11.664 -3.020 1.00 1.98 H new ATOM 0 HH21 ARG A 64 9.266 -12.485 0.126 1.00 1.56 H new ATOM 0 HH22 ARG A 64 9.625 -11.958 -1.522 1.00 1.56 H new ATOM 972 N THR A 65 1.722 -11.365 -3.589 1.00 0.44 N ATOM 973 CA THR A 65 1.543 -10.604 -4.809 1.00 0.40 C ATOM 974 C THR A 65 2.590 -9.487 -4.827 1.00 0.35 C ATOM 975 O THR A 65 2.867 -8.903 -3.785 1.00 0.33 O ATOM 976 CB THR A 65 0.107 -10.023 -4.907 1.00 0.40 C ATOM 977 OG1 THR A 65 -0.006 -9.136 -6.025 1.00 0.41 O ATOM 978 CG2 THR A 65 -0.289 -9.292 -3.630 1.00 0.40 C ATOM 0 H THR A 65 1.185 -11.016 -2.795 1.00 0.44 H new ATOM 0 HA THR A 65 1.676 -11.256 -5.673 1.00 0.40 H new ATOM 0 HB THR A 65 -0.573 -10.864 -5.046 1.00 0.40 H new ATOM 0 HG1 THR A 65 -0.919 -8.782 -6.071 1.00 0.41 H new ATOM 0 HG21 THR A 65 -1.300 -8.898 -3.735 1.00 0.40 H new ATOM 0 HG22 THR A 65 -0.254 -9.984 -2.789 1.00 0.40 H new ATOM 0 HG23 THR A 65 0.404 -8.470 -3.452 1.00 0.40 H new ATOM 986 N PRO A 66 3.186 -9.183 -5.996 1.00 0.36 N ATOM 987 CA PRO A 66 4.339 -8.262 -6.112 1.00 0.35 C ATOM 988 C PRO A 66 4.145 -6.954 -5.349 1.00 0.27 C ATOM 989 O PRO A 66 4.931 -6.621 -4.460 1.00 0.26 O ATOM 990 CB PRO A 66 4.417 -7.989 -7.624 1.00 0.42 C ATOM 991 CG PRO A 66 3.115 -8.482 -8.164 1.00 0.44 C ATOM 992 CD PRO A 66 2.772 -9.662 -7.313 1.00 0.43 C ATOM 0 HA PRO A 66 5.242 -8.697 -5.685 1.00 0.35 H new ATOM 0 HB2 PRO A 66 4.554 -6.927 -7.828 1.00 0.42 H new ATOM 0 HB3 PRO A 66 5.258 -8.512 -8.078 1.00 0.42 H new ATOM 0 HG2 PRO A 66 2.345 -7.713 -8.103 1.00 0.44 H new ATOM 0 HG3 PRO A 66 3.203 -8.763 -9.213 1.00 0.44 H new ATOM 0 HD2 PRO A 66 1.709 -9.902 -7.350 1.00 0.43 H new ATOM 0 HD3 PRO A 66 3.312 -10.559 -7.614 1.00 0.43 H new ATOM 1000 N GLY A 67 3.090 -6.225 -5.685 1.00 0.25 N ATOM 1001 CA GLY A 67 2.793 -5.000 -4.974 1.00 0.21 C ATOM 1002 C GLY A 67 2.341 -5.283 -3.562 1.00 0.20 C ATOM 1003 O GLY A 67 2.751 -4.608 -2.625 1.00 0.23 O ATOM 0 H GLY A 67 2.438 -6.459 -6.434 1.00 0.25 H new ATOM 0 HA2 GLY A 67 3.678 -4.364 -4.955 1.00 0.21 H new ATOM 0 HA3 GLY A 67 2.016 -4.449 -5.504 1.00 0.21 H new ATOM 1007 N GLY A 68 1.528 -6.325 -3.419 1.00 0.23 N ATOM 1008 CA GLY A 68 1.001 -6.722 -2.122 1.00 0.28 C ATOM 1009 C GLY A 68 2.089 -6.987 -1.092 1.00 0.27 C ATOM 1010 O GLY A 68 1.872 -6.829 0.108 1.00 0.30 O ATOM 0 H GLY A 68 1.219 -6.913 -4.193 1.00 0.23 H new ATOM 0 HA2 GLY A 68 0.340 -5.939 -1.750 1.00 0.28 H new ATOM 0 HA3 GLY A 68 0.396 -7.621 -2.242 1.00 0.28 H new ATOM 1014 N VAL A 69 3.259 -7.395 -1.561 1.00 0.27 N ATOM 1015 CA VAL A 69 4.407 -7.616 -0.694 1.00 0.27 C ATOM 1016 C VAL A 69 4.835 -6.315 -0.025 1.00 0.24 C ATOM 1017 O VAL A 69 5.195 -6.293 1.148 1.00 0.23 O ATOM 1018 CB VAL A 69 5.577 -8.225 -1.489 1.00 0.31 C ATOM 1019 CG1 VAL A 69 6.829 -8.321 -0.650 1.00 0.64 C ATOM 1020 CG2 VAL A 69 5.196 -9.597 -1.987 1.00 0.74 C ATOM 0 H VAL A 69 3.439 -7.581 -2.548 1.00 0.27 H new ATOM 0 HA VAL A 69 4.116 -8.321 0.084 1.00 0.27 H new ATOM 0 HB VAL A 69 5.786 -7.568 -2.333 1.00 0.31 H new ATOM 0 HG11 VAL A 69 7.633 -8.755 -1.244 1.00 0.64 H new ATOM 0 HG12 VAL A 69 7.121 -7.325 -0.317 1.00 0.64 H new ATOM 0 HG13 VAL A 69 6.638 -8.952 0.218 1.00 0.64 H new ATOM 0 HG21 VAL A 69 6.027 -10.024 -2.549 1.00 0.74 H new ATOM 0 HG22 VAL A 69 4.963 -10.240 -1.138 1.00 0.74 H new ATOM 0 HG23 VAL A 69 4.322 -9.520 -2.634 1.00 0.74 H new ATOM 1024 N PHE A 70 4.779 -5.230 -0.772 1.00 0.22 N ATOM 1025 CA PHE A 70 4.995 -3.911 -0.209 1.00 0.20 C ATOM 1026 C PHE A 70 3.868 -3.566 0.762 1.00 0.20 C ATOM 1027 O PHE A 70 4.088 -2.871 1.749 1.00 0.20 O ATOM 1028 CB PHE A 70 5.111 -2.865 -1.318 1.00 0.22 C ATOM 1029 CG PHE A 70 5.101 -1.435 -0.838 1.00 0.20 C ATOM 1030 CD1 PHE A 70 3.911 -0.849 -0.438 1.00 0.23 C ATOM 1031 CD2 PHE A 70 6.268 -0.678 -0.788 1.00 0.21 C ATOM 1032 CE1 PHE A 70 3.869 0.448 0.007 1.00 0.26 C ATOM 1033 CE2 PHE A 70 6.235 0.631 -0.346 1.00 0.24 C ATOM 1034 CZ PHE A 70 5.034 1.196 0.055 1.00 0.25 C ATOM 0 H PHE A 70 4.585 -5.236 -1.773 1.00 0.22 H new ATOM 0 HA PHE A 70 5.934 -3.912 0.344 1.00 0.20 H new ATOM 0 HB2 PHE A 70 6.033 -3.042 -1.871 1.00 0.22 H new ATOM 0 HB3 PHE A 70 4.288 -3.005 -2.018 1.00 0.22 H new ATOM 0 HD1 PHE A 70 2.998 -1.425 -0.477 1.00 0.23 H new ATOM 0 HD2 PHE A 70 7.205 -1.116 -1.097 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.931 0.884 0.319 1.00 0.26 H new ATOM 0 HE2 PHE A 70 7.144 1.213 -0.313 1.00 0.24 H new ATOM 0 HZ PHE A 70 5.007 2.218 0.404 1.00 0.25 H new ATOM 1044 N LEU A 71 2.645 -4.016 0.465 1.00 0.21 N ATOM 1045 CA LEU A 71 1.517 -3.794 1.376 1.00 0.24 C ATOM 1046 C LEU A 71 1.884 -4.348 2.753 1.00 0.24 C ATOM 1047 O LEU A 71 1.456 -3.825 3.779 1.00 0.26 O ATOM 1048 CB LEU A 71 0.197 -4.460 0.927 1.00 0.31 C ATOM 1049 CG LEU A 71 -0.449 -4.047 -0.417 1.00 0.28 C ATOM 1050 CD1 LEU A 71 -1.681 -3.209 -0.191 1.00 0.32 C ATOM 1051 CD2 LEU A 71 0.503 -3.294 -1.300 1.00 0.30 C ATOM 0 H LEU A 71 2.412 -4.529 -0.386 1.00 0.21 H new ATOM 0 HA LEU A 71 1.341 -2.718 1.389 1.00 0.24 H new ATOM 0 HB2 LEU A 71 0.371 -5.535 0.888 1.00 0.31 H new ATOM 0 HB3 LEU A 71 -0.540 -4.284 1.711 1.00 0.31 H new ATOM 0 HG LEU A 71 -0.723 -4.974 -0.921 1.00 0.28 H new ATOM 0 HD11 LEU A 71 -2.115 -2.933 -1.152 1.00 0.32 H new ATOM 0 HD12 LEU A 71 -2.409 -3.780 0.385 1.00 0.32 H new ATOM 0 HD13 LEU A 71 -1.412 -2.307 0.358 1.00 0.32 H new ATOM 0 HD21 LEU A 71 0.002 -3.027 -2.231 1.00 0.30 H new ATOM 0 HD22 LEU A 71 0.831 -2.388 -0.791 1.00 0.30 H new ATOM 0 HD23 LEU A 71 1.368 -3.920 -1.520 1.00 0.30 H new ATOM 1063 N ASN A 72 2.667 -5.434 2.758 1.00 0.24 N ATOM 1064 CA ASN A 72 3.202 -6.000 3.995 1.00 0.27 C ATOM 1065 C ASN A 72 3.981 -4.943 4.754 1.00 0.26 C ATOM 1066 O ASN A 72 3.856 -4.820 5.960 1.00 0.34 O ATOM 1067 CB ASN A 72 4.098 -7.214 3.706 1.00 0.31 C ATOM 1068 CG ASN A 72 4.724 -7.789 4.965 1.00 0.46 C ATOM 1069 OD1 ASN A 72 5.826 -7.409 5.353 1.00 1.08 O ATOM 1070 ND2 ASN A 72 4.028 -8.710 5.612 1.00 0.67 N ATOM 0 H ASN A 72 2.943 -5.937 1.915 1.00 0.24 H new ATOM 0 HA ASN A 72 2.365 -6.337 4.607 1.00 0.27 H new ATOM 0 HB2 ASN A 72 3.509 -7.987 3.212 1.00 0.31 H new ATOM 0 HB3 ASN A 72 4.887 -6.922 3.013 1.00 0.31 H new ATOM 0 HD21 ASN A 72 4.404 -9.129 6.463 1.00 0.67 H new ATOM 0 HD22 ASN A 72 3.116 -9.001 5.260 1.00 0.67 H new ATOM 1077 N LEU A 73 4.733 -4.153 4.018 1.00 0.23 N ATOM 1078 CA LEU A 73 5.554 -3.091 4.586 1.00 0.25 C ATOM 1079 C LEU A 73 4.695 -1.991 5.161 1.00 0.36 C ATOM 1080 O LEU A 73 5.011 -1.408 6.195 1.00 0.46 O ATOM 1081 CB LEU A 73 6.437 -2.515 3.495 1.00 0.23 C ATOM 1082 CG LEU A 73 7.213 -3.561 2.731 1.00 0.20 C ATOM 1083 CD1 LEU A 73 8.158 -2.909 1.760 1.00 0.35 C ATOM 1084 CD2 LEU A 73 7.944 -4.435 3.718 1.00 0.27 C ATOM 0 H LEU A 73 4.796 -4.225 3.003 1.00 0.23 H new ATOM 0 HA LEU A 73 6.161 -3.510 5.389 1.00 0.25 H new ATOM 0 HB2 LEU A 73 5.817 -1.952 2.797 1.00 0.23 H new ATOM 0 HB3 LEU A 73 7.137 -1.809 3.941 1.00 0.23 H new ATOM 0 HG LEU A 73 6.533 -4.181 2.147 1.00 0.20 H new ATOM 0 HD11 LEU A 73 8.709 -3.677 1.218 1.00 0.35 H new ATOM 0 HD12 LEU A 73 7.592 -2.302 1.054 1.00 0.35 H new ATOM 0 HD13 LEU A 73 8.858 -2.275 2.304 1.00 0.35 H new ATOM 0 HD21 LEU A 73 8.510 -5.196 3.181 1.00 0.27 H new ATOM 0 HD22 LEU A 73 8.627 -3.824 4.308 1.00 0.27 H new ATOM 0 HD23 LEU A 73 7.224 -4.917 4.380 1.00 0.27 H new ATOM 1096 N LEU A 74 3.611 -1.713 4.463 1.00 0.41 N ATOM 1097 CA LEU A 74 2.674 -0.685 4.863 1.00 0.58 C ATOM 1098 C LEU A 74 2.151 -0.982 6.265 1.00 0.66 C ATOM 1099 O LEU A 74 1.995 -0.082 7.077 1.00 0.80 O ATOM 1100 CB LEU A 74 1.536 -0.630 3.837 1.00 0.63 C ATOM 1101 CG LEU A 74 0.740 0.676 3.765 1.00 0.49 C ATOM 1102 CD1 LEU A 74 -0.026 0.741 2.455 1.00 1.08 C ATOM 1103 CD2 LEU A 74 -0.225 0.803 4.934 1.00 0.78 C ATOM 0 H LEU A 74 3.356 -2.195 3.601 1.00 0.41 H new ATOM 0 HA LEU A 74 3.164 0.288 4.893 1.00 0.58 H new ATOM 0 HB2 LEU A 74 1.957 -0.827 2.851 1.00 0.63 H new ATOM 0 HB3 LEU A 74 0.841 -1.441 4.055 1.00 0.63 H new ATOM 0 HG LEU A 74 1.446 1.505 3.819 1.00 0.49 H new ATOM 0 HD11 LEU A 74 -0.590 1.672 2.409 1.00 1.08 H new ATOM 0 HD12 LEU A 74 0.675 0.700 1.621 1.00 1.08 H new ATOM 0 HD13 LEU A 74 -0.713 -0.103 2.393 1.00 1.08 H new ATOM 0 HD21 LEU A 74 -0.774 1.741 4.852 1.00 0.78 H new ATOM 0 HD22 LEU A 74 -0.927 -0.031 4.919 1.00 0.78 H new ATOM 0 HD23 LEU A 74 0.334 0.790 5.870 1.00 0.78 H new ATOM 1115 N LYS A 75 1.909 -2.258 6.549 1.00 0.66 N ATOM 1116 CA LYS A 75 1.423 -2.671 7.862 1.00 0.82 C ATOM 1117 C LYS A 75 2.553 -3.083 8.809 1.00 0.77 C ATOM 1118 O LYS A 75 2.440 -2.917 10.020 1.00 0.95 O ATOM 1119 CB LYS A 75 0.411 -3.812 7.727 1.00 1.04 C ATOM 1120 CG LYS A 75 0.728 -4.799 6.614 1.00 0.81 C ATOM 1121 CD LYS A 75 -0.086 -6.069 6.755 1.00 0.71 C ATOM 1122 CE LYS A 75 -0.140 -6.858 5.457 1.00 0.70 C ATOM 1123 NZ LYS A 75 -0.513 -8.279 5.704 1.00 1.93 N ATOM 0 H LYS A 75 2.041 -3.024 5.888 1.00 0.66 H new ATOM 0 HA LYS A 75 0.935 -1.801 8.301 1.00 0.82 H new ATOM 0 HB2 LYS A 75 0.361 -4.352 8.673 1.00 1.04 H new ATOM 0 HB3 LYS A 75 -0.577 -3.387 7.550 1.00 1.04 H new ATOM 0 HG2 LYS A 75 0.523 -4.339 5.648 1.00 0.81 H new ATOM 0 HG3 LYS A 75 1.790 -5.042 6.632 1.00 0.81 H new ATOM 0 HD2 LYS A 75 0.345 -6.691 7.539 1.00 0.71 H new ATOM 0 HD3 LYS A 75 -1.099 -5.817 7.069 1.00 0.71 H new ATOM 0 HE2 LYS A 75 -0.863 -6.402 4.781 1.00 0.70 H new ATOM 0 HE3 LYS A 75 0.830 -6.815 4.962 1.00 0.70 H new ATOM 0 HZ1 LYS A 75 -0.885 -8.698 4.828 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 0.327 -8.810 6.012 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 -1.241 -8.323 6.445 1.00 1.93 H new ATOM 1137 N ASN A 76 3.630 -3.626 8.265 1.00 0.64 N ATOM 1138 CA ASN A 76 4.718 -4.153 9.086 1.00 0.69 C ATOM 1139 C ASN A 76 5.850 -3.150 9.236 1.00 0.61 C ATOM 1140 O ASN A 76 6.977 -3.525 9.554 1.00 0.79 O ATOM 1141 CB ASN A 76 5.261 -5.460 8.499 1.00 0.81 C ATOM 1142 CG ASN A 76 4.409 -6.669 8.846 1.00 1.22 C ATOM 1143 OD1 ASN A 76 4.901 -7.797 8.880 1.00 1.80 O ATOM 1144 ND2 ASN A 76 3.134 -6.450 9.131 1.00 2.12 N ATOM 0 H ASN A 76 3.778 -3.715 7.260 1.00 0.64 H new ATOM 0 HA ASN A 76 4.304 -4.349 10.075 1.00 0.69 H new ATOM 0 HB2 ASN A 76 5.323 -5.366 7.415 1.00 0.81 H new ATOM 0 HB3 ASN A 76 6.275 -5.621 8.864 1.00 0.81 H new ATOM 0 HD21 ASN A 76 2.528 -7.229 9.388 1.00 2.12 H new ATOM 0 HD22 ASN A 76 2.758 -5.502 9.093 1.00 2.12 H new ATOM 1151 N THR A 77 5.557 -1.883 8.997 1.00 0.54 N ATOM 1152 CA THR A 77 6.524 -0.837 9.258 1.00 0.60 C ATOM 1153 C THR A 77 6.732 -0.713 10.766 1.00 0.56 C ATOM 1154 O THR A 77 5.794 -0.456 11.523 1.00 0.61 O ATOM 1155 CB THR A 77 6.101 0.512 8.636 1.00 0.75 C ATOM 1156 OG1 THR A 77 7.010 1.553 9.027 1.00 0.94 O ATOM 1157 CG2 THR A 77 4.680 0.877 9.029 1.00 0.78 C ATOM 0 H THR A 77 4.664 -1.558 8.626 1.00 0.54 H new ATOM 0 HA THR A 77 7.467 -1.109 8.784 1.00 0.60 H new ATOM 0 HB THR A 77 6.134 0.405 7.552 1.00 0.75 H new ATOM 0 HG1 THR A 77 6.646 2.423 8.759 1.00 0.94 H new ATOM 0 HG21 THR A 77 4.411 1.831 8.576 1.00 0.78 H new ATOM 0 HG22 THR A 77 3.996 0.104 8.680 1.00 0.78 H new ATOM 0 HG23 THR A 77 4.612 0.958 10.114 1.00 0.78 H new ATOM 1165 N PRO A 78 7.972 -0.915 11.221 1.00 0.63 N ATOM 1166 CA PRO A 78 8.281 -1.111 12.639 1.00 0.67 C ATOM 1167 C PRO A 78 8.149 0.154 13.485 1.00 0.70 C ATOM 1168 O PRO A 78 8.198 0.086 14.714 1.00 0.84 O ATOM 1169 CB PRO A 78 9.741 -1.605 12.623 1.00 0.92 C ATOM 1170 CG PRO A 78 10.062 -1.882 11.192 1.00 1.00 C ATOM 1171 CD PRO A 78 9.183 -0.974 10.397 1.00 0.84 C ATOM 0 HA PRO A 78 7.578 -1.805 13.099 1.00 0.67 H new ATOM 0 HB2 PRO A 78 10.413 -0.852 13.036 1.00 0.92 H new ATOM 0 HB3 PRO A 78 9.857 -2.503 13.230 1.00 0.92 H new ATOM 0 HG2 PRO A 78 11.114 -1.690 10.983 1.00 1.00 H new ATOM 0 HG3 PRO A 78 9.873 -2.926 10.943 1.00 1.00 H new ATOM 0 HD2 PRO A 78 9.631 0.010 10.261 1.00 0.84 H new ATOM 0 HD3 PRO A 78 8.980 -1.372 9.403 1.00 0.84 H new ATOM 1179 N SER A 79 7.969 1.301 12.846 1.00 0.75 N ATOM 1180 CA SER A 79 7.935 2.562 13.568 1.00 0.96 C ATOM 1181 C SER A 79 6.541 3.191 13.563 1.00 0.91 C ATOM 1182 O SER A 79 6.348 4.278 14.108 1.00 1.06 O ATOM 1183 CB SER A 79 8.953 3.531 12.963 1.00 1.23 C ATOM 1184 OG SER A 79 8.687 3.761 11.586 1.00 1.49 O ATOM 0 H SER A 79 7.845 1.384 11.837 1.00 0.75 H new ATOM 0 HA SER A 79 8.193 2.357 14.607 1.00 0.96 H new ATOM 0 HB2 SER A 79 8.925 4.477 13.504 1.00 1.23 H new ATOM 0 HB3 SER A 79 9.958 3.126 13.079 1.00 1.23 H new ATOM 0 HG SER A 79 8.674 4.725 11.412 1.00 1.49 H new ATOM 1190 N ILE A 80 5.573 2.522 12.949 1.00 0.76 N ATOM 1191 CA ILE A 80 4.231 3.089 12.817 1.00 0.76 C ATOM 1192 C ILE A 80 3.181 2.207 13.494 1.00 0.74 C ATOM 1193 O ILE A 80 3.247 0.980 13.426 1.00 0.67 O ATOM 1194 CB ILE A 80 3.858 3.306 11.334 1.00 0.69 C ATOM 1195 CG1 ILE A 80 4.936 4.150 10.644 1.00 0.89 C ATOM 1196 CG2 ILE A 80 2.498 3.980 11.215 1.00 0.76 C ATOM 1197 CD1 ILE A 80 4.666 4.419 9.181 1.00 1.21 C ATOM 0 H ILE A 80 5.687 1.596 12.538 1.00 0.76 H new ATOM 0 HA ILE A 80 4.244 4.057 13.319 1.00 0.76 H new ATOM 0 HB ILE A 80 3.800 2.335 10.842 1.00 0.69 H new ATOM 0 HG12 ILE A 80 5.027 5.102 11.167 1.00 0.89 H new ATOM 0 HG13 ILE A 80 5.896 3.642 10.738 1.00 0.89 H new ATOM 0 HG21 ILE A 80 2.254 4.124 10.162 1.00 0.76 H new ATOM 0 HG22 ILE A 80 1.739 3.352 11.681 1.00 0.76 H new ATOM 0 HG23 ILE A 80 2.526 4.947 11.716 1.00 0.76 H new ATOM 0 HD11 ILE A 80 5.474 5.022 8.767 1.00 1.21 H new ATOM 0 HD12 ILE A 80 4.605 3.473 8.642 1.00 1.21 H new ATOM 0 HD13 ILE A 80 3.723 4.956 9.078 1.00 1.21 H new ATOM 1204 N SER A 81 2.222 2.848 14.159 1.00 0.90 N ATOM 1205 CA SER A 81 1.166 2.142 14.869 1.00 1.01 C ATOM 1206 C SER A 81 0.042 1.730 13.913 1.00 0.88 C ATOM 1207 O SER A 81 -0.178 2.351 12.867 1.00 0.74 O ATOM 1208 CB SER A 81 0.613 3.025 15.992 1.00 1.26 C ATOM 1209 OG SER A 81 -0.299 2.309 16.812 1.00 1.79 O ATOM 0 H SER A 81 2.158 3.864 14.219 1.00 0.90 H new ATOM 0 HA SER A 81 1.588 1.235 15.302 1.00 1.01 H new ATOM 0 HB2 SER A 81 1.436 3.400 16.601 1.00 1.26 H new ATOM 0 HB3 SER A 81 0.114 3.893 15.562 1.00 1.26 H new ATOM 0 HG SER A 81 -0.634 2.898 17.520 1.00 1.79 H new ATOM 1215 N GLU A 82 -0.665 0.677 14.315 1.00 0.99 N ATOM 1216 CA GLU A 82 -1.607 -0.046 13.463 1.00 0.96 C ATOM 1217 C GLU A 82 -2.758 0.831 12.956 1.00 0.84 C ATOM 1218 O GLU A 82 -3.245 0.624 11.841 1.00 0.75 O ATOM 1219 CB GLU A 82 -2.177 -1.228 14.247 1.00 1.22 C ATOM 1220 CG GLU A 82 -3.002 -2.186 13.409 1.00 1.50 C ATOM 1221 CD GLU A 82 -3.797 -3.150 14.258 1.00 2.29 C ATOM 1222 OE1 GLU A 82 -5.043 -3.107 14.199 1.00 2.89 O ATOM 1223 OE2 GLU A 82 -3.183 -3.943 14.998 1.00 2.75 O ATOM 0 H GLU A 82 -0.599 0.295 15.258 1.00 0.99 H new ATOM 0 HA GLU A 82 -1.057 -0.383 12.584 1.00 0.96 H new ATOM 0 HB2 GLU A 82 -1.354 -1.778 14.704 1.00 1.22 H new ATOM 0 HB3 GLU A 82 -2.796 -0.847 15.059 1.00 1.22 H new ATOM 0 HG2 GLU A 82 -3.682 -1.618 12.775 1.00 1.50 H new ATOM 0 HG3 GLU A 82 -2.342 -2.747 12.747 1.00 1.50 H new ATOM 1230 N GLU A 83 -3.203 1.785 13.768 1.00 0.90 N ATOM 1231 CA GLU A 83 -4.354 2.611 13.407 1.00 0.87 C ATOM 1232 C GLU A 83 -4.085 3.445 12.155 1.00 0.74 C ATOM 1233 O GLU A 83 -4.914 3.483 11.242 1.00 0.73 O ATOM 1234 CB GLU A 83 -4.764 3.524 14.562 1.00 1.05 C ATOM 1235 CG GLU A 83 -5.932 4.429 14.209 1.00 1.30 C ATOM 1236 CD GLU A 83 -6.508 5.144 15.407 1.00 1.60 C ATOM 1237 OE1 GLU A 83 -7.690 4.910 15.724 1.00 1.98 O ATOM 1238 OE2 GLU A 83 -5.786 5.941 16.033 1.00 2.06 O ATOM 0 H GLU A 83 -2.789 2.006 14.674 1.00 0.90 H new ATOM 0 HA GLU A 83 -5.175 1.928 13.190 1.00 0.87 H new ATOM 0 HB2 GLU A 83 -5.031 2.914 15.425 1.00 1.05 H new ATOM 0 HB3 GLU A 83 -3.911 4.136 14.856 1.00 1.05 H new ATOM 0 HG2 GLU A 83 -5.605 5.166 13.476 1.00 1.30 H new ATOM 0 HG3 GLU A 83 -6.714 3.835 13.736 1.00 1.30 H new ATOM 1245 N GLN A 84 -2.928 4.102 12.102 1.00 0.73 N ATOM 1246 CA GLN A 84 -2.572 4.911 10.940 1.00 0.68 C ATOM 1247 C GLN A 84 -2.506 4.035 9.696 1.00 0.56 C ATOM 1248 O GLN A 84 -2.831 4.470 8.592 1.00 0.59 O ATOM 1249 CB GLN A 84 -1.232 5.621 11.153 1.00 0.76 C ATOM 1250 CG GLN A 84 -0.895 6.621 10.055 1.00 1.11 C ATOM 1251 CD GLN A 84 0.414 7.345 10.293 1.00 1.60 C ATOM 1252 OE1 GLN A 84 0.449 8.385 10.947 1.00 2.31 O ATOM 1253 NE2 GLN A 84 1.496 6.810 9.754 1.00 2.28 N ATOM 0 H GLN A 84 -2.227 4.090 12.843 1.00 0.73 H new ATOM 0 HA GLN A 84 -3.342 5.671 10.805 1.00 0.68 H new ATOM 0 HB2 GLN A 84 -1.252 6.139 12.112 1.00 0.76 H new ATOM 0 HB3 GLN A 84 -0.439 4.875 11.210 1.00 0.76 H new ATOM 0 HG2 GLN A 84 -0.846 6.099 9.099 1.00 1.11 H new ATOM 0 HG3 GLN A 84 -1.699 7.353 9.978 1.00 1.11 H new ATOM 0 HE21 GLN A 84 1.424 5.945 9.218 1.00 2.28 H new ATOM 0 HE22 GLN A 84 2.402 7.262 9.874 1.00 2.28 H new ATOM 1262 N ILE A 85 -2.103 2.791 9.904 1.00 0.50 N ATOM 1263 CA ILE A 85 -2.003 1.812 8.833 1.00 0.45 C ATOM 1264 C ILE A 85 -3.367 1.560 8.194 1.00 0.43 C ATOM 1265 O ILE A 85 -3.496 1.526 6.967 1.00 0.43 O ATOM 1266 CB ILE A 85 -1.456 0.477 9.375 1.00 0.46 C ATOM 1267 CG1 ILE A 85 -0.133 0.692 10.117 1.00 0.51 C ATOM 1268 CG2 ILE A 85 -1.289 -0.527 8.253 1.00 0.47 C ATOM 1269 CD1 ILE A 85 0.896 1.475 9.330 1.00 1.41 C ATOM 0 H ILE A 85 -1.836 2.432 10.821 1.00 0.50 H new ATOM 0 HA ILE A 85 -1.322 2.214 8.082 1.00 0.45 H new ATOM 0 HB ILE A 85 -2.179 0.075 10.085 1.00 0.46 H new ATOM 0 HG12 ILE A 85 -0.334 1.214 11.052 1.00 0.51 H new ATOM 0 HG13 ILE A 85 0.287 -0.279 10.378 1.00 0.51 H new ATOM 0 HG21 ILE A 85 -0.902 -1.463 8.657 1.00 0.47 H new ATOM 0 HG22 ILE A 85 -2.254 -0.708 7.780 1.00 0.47 H new ATOM 0 HG23 ILE A 85 -0.591 -0.134 7.514 1.00 0.47 H new ATOM 0 HD11 ILE A 85 1.803 1.584 9.924 1.00 1.41 H new ATOM 0 HD12 ILE A 85 1.129 0.945 8.407 1.00 1.41 H new ATOM 0 HD13 ILE A 85 0.498 2.461 9.091 1.00 1.41 H new ATOM 1276 N LYS A 86 -4.378 1.401 9.045 1.00 0.47 N ATOM 1277 CA LYS A 86 -5.733 1.086 8.606 1.00 0.50 C ATOM 1278 C LYS A 86 -6.262 2.131 7.634 1.00 0.41 C ATOM 1279 O LYS A 86 -6.907 1.804 6.637 1.00 0.47 O ATOM 1280 CB LYS A 86 -6.657 1.004 9.820 1.00 0.59 C ATOM 1281 CG LYS A 86 -8.115 0.807 9.480 1.00 0.71 C ATOM 1282 CD LYS A 86 -8.973 0.917 10.725 1.00 0.92 C ATOM 1283 CE LYS A 86 -8.948 2.319 11.321 1.00 1.90 C ATOM 1284 NZ LYS A 86 -9.707 2.389 12.598 1.00 2.45 N ATOM 0 H LYS A 86 -4.280 1.487 10.057 1.00 0.47 H new ATOM 0 HA LYS A 86 -5.706 0.126 8.090 1.00 0.50 H new ATOM 0 HB2 LYS A 86 -6.330 0.181 10.456 1.00 0.59 H new ATOM 0 HB3 LYS A 86 -6.553 1.919 10.404 1.00 0.59 H new ATOM 0 HG2 LYS A 86 -8.428 1.553 8.749 1.00 0.71 H new ATOM 0 HG3 LYS A 86 -8.258 -0.170 9.019 1.00 0.71 H new ATOM 0 HD2 LYS A 86 -10.000 0.646 10.481 1.00 0.92 H new ATOM 0 HD3 LYS A 86 -8.623 0.202 11.469 1.00 0.92 H new ATOM 0 HE2 LYS A 86 -7.915 2.622 11.495 1.00 1.90 H new ATOM 0 HE3 LYS A 86 -9.372 3.025 10.607 1.00 1.90 H new ATOM 0 HZ1 LYS A 86 -9.667 3.358 12.973 1.00 2.45 H new ATOM 0 HZ2 LYS A 86 -10.698 2.124 12.428 1.00 2.45 H new ATOM 0 HZ3 LYS A 86 -9.287 1.734 13.288 1.00 2.45 H new ATOM 1298 N ASP A 87 -5.972 3.386 7.926 1.00 0.34 N ATOM 1299 CA ASP A 87 -6.508 4.490 7.149 1.00 0.31 C ATOM 1300 C ASP A 87 -5.977 4.459 5.716 1.00 0.29 C ATOM 1301 O ASP A 87 -6.659 4.870 4.777 1.00 0.35 O ATOM 1302 CB ASP A 87 -6.173 5.829 7.814 1.00 0.34 C ATOM 1303 CG ASP A 87 -7.037 6.963 7.297 1.00 1.00 C ATOM 1304 OD1 ASP A 87 -8.194 7.101 7.748 1.00 1.09 O ATOM 1305 OD2 ASP A 87 -6.558 7.723 6.431 1.00 1.70 O ATOM 0 H ASP A 87 -5.367 3.667 8.697 1.00 0.34 H new ATOM 0 HA ASP A 87 -7.592 4.381 7.113 1.00 0.31 H new ATOM 0 HB2 ASP A 87 -6.304 5.739 8.892 1.00 0.34 H new ATOM 0 HB3 ASP A 87 -5.124 6.066 7.639 1.00 0.34 H new ATOM 1310 N ILE A 88 -4.760 3.966 5.552 1.00 0.26 N ATOM 1311 CA ILE A 88 -4.103 3.980 4.255 1.00 0.27 C ATOM 1312 C ILE A 88 -4.745 3.008 3.259 1.00 0.31 C ATOM 1313 O ILE A 88 -5.414 3.432 2.318 1.00 0.36 O ATOM 1314 CB ILE A 88 -2.603 3.642 4.378 1.00 0.28 C ATOM 1315 CG1 ILE A 88 -1.946 4.525 5.440 1.00 0.36 C ATOM 1316 CG2 ILE A 88 -1.913 3.822 3.031 1.00 0.38 C ATOM 1317 CD1 ILE A 88 -0.488 4.209 5.687 1.00 0.42 C ATOM 0 H ILE A 88 -4.207 3.551 6.302 1.00 0.26 H new ATOM 0 HA ILE A 88 -4.223 4.995 3.876 1.00 0.27 H new ATOM 0 HB ILE A 88 -2.500 2.601 4.684 1.00 0.28 H new ATOM 0 HG12 ILE A 88 -2.035 5.568 5.136 1.00 0.36 H new ATOM 0 HG13 ILE A 88 -2.494 4.418 6.376 1.00 0.36 H new ATOM 0 HG21 ILE A 88 -0.855 3.581 3.129 1.00 0.38 H new ATOM 0 HG22 ILE A 88 -2.370 3.158 2.297 1.00 0.38 H new ATOM 0 HG23 ILE A 88 -2.021 4.856 2.702 1.00 0.38 H new ATOM 0 HD11 ILE A 88 -0.095 4.878 6.453 1.00 0.42 H new ATOM 0 HD12 ILE A 88 -0.391 3.177 6.023 1.00 0.42 H new ATOM 0 HD13 ILE A 88 0.075 4.344 4.764 1.00 0.42 H new ATOM 1324 N PHE A 89 -4.554 1.710 3.473 1.00 0.33 N ATOM 1325 CA PHE A 89 -4.906 0.723 2.452 1.00 0.41 C ATOM 1326 C PHE A 89 -6.108 -0.144 2.833 1.00 0.44 C ATOM 1327 O PHE A 89 -6.705 -0.785 1.971 1.00 0.52 O ATOM 1328 CB PHE A 89 -3.690 -0.159 2.109 1.00 0.45 C ATOM 1329 CG PHE A 89 -3.129 -0.995 3.246 1.00 0.32 C ATOM 1330 CD1 PHE A 89 -2.148 -1.943 2.985 1.00 0.57 C ATOM 1331 CD2 PHE A 89 -3.564 -0.842 4.555 1.00 0.56 C ATOM 1332 CE1 PHE A 89 -1.618 -2.714 4.000 1.00 0.75 C ATOM 1333 CE2 PHE A 89 -3.038 -1.613 5.571 1.00 0.49 C ATOM 1334 CZ PHE A 89 -2.063 -2.550 5.294 1.00 0.51 C ATOM 0 H PHE A 89 -4.163 1.319 4.330 1.00 0.33 H new ATOM 0 HA PHE A 89 -5.204 1.289 1.569 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -3.971 -0.829 1.296 1.00 0.45 H new ATOM 0 HB3 PHE A 89 -2.895 0.484 1.732 1.00 0.45 H new ATOM 0 HD1 PHE A 89 -1.795 -2.079 1.973 1.00 0.57 H new ATOM 0 HD2 PHE A 89 -4.325 -0.109 4.781 1.00 0.56 H new ATOM 0 HE1 PHE A 89 -0.855 -3.446 3.780 1.00 0.75 H new ATOM 0 HE2 PHE A 89 -3.389 -1.483 6.584 1.00 0.49 H new ATOM 0 HZ PHE A 89 -1.650 -3.153 6.089 1.00 0.51 H new ATOM 1344 N TYR A 90 -6.482 -0.148 4.102 1.00 0.44 N ATOM 1345 CA TYR A 90 -7.564 -1.010 4.566 1.00 0.53 C ATOM 1346 C TYR A 90 -8.911 -0.503 4.057 1.00 0.56 C ATOM 1347 O TYR A 90 -9.851 -1.274 3.851 1.00 0.71 O ATOM 1348 CB TYR A 90 -7.548 -1.078 6.094 1.00 0.56 C ATOM 1349 CG TYR A 90 -8.698 -1.846 6.698 1.00 0.70 C ATOM 1350 CD1 TYR A 90 -9.734 -1.195 7.348 1.00 0.78 C ATOM 1351 CD2 TYR A 90 -8.746 -3.229 6.606 1.00 0.77 C ATOM 1352 CE1 TYR A 90 -10.783 -1.905 7.899 1.00 0.93 C ATOM 1353 CE2 TYR A 90 -9.788 -3.944 7.148 1.00 0.91 C ATOM 1354 CZ TYR A 90 -10.819 -3.238 7.820 1.00 0.96 C ATOM 1355 OH TYR A 90 -11.844 -3.993 8.343 1.00 1.13 O ATOM 0 H TYR A 90 -6.058 0.430 4.827 1.00 0.44 H new ATOM 0 HA TYR A 90 -7.415 -2.014 4.169 1.00 0.53 H new ATOM 0 HB2 TYR A 90 -6.613 -1.537 6.415 1.00 0.56 H new ATOM 0 HB3 TYR A 90 -7.558 -0.063 6.490 1.00 0.56 H new ATOM 0 HD1 TYR A 90 -9.721 -0.118 7.425 1.00 0.78 H new ATOM 0 HD2 TYR A 90 -7.950 -3.754 6.099 1.00 0.77 H new ATOM 0 HE1 TYR A 90 -11.582 -1.377 8.399 1.00 0.93 H new ATOM 0 HE2 TYR A 90 -9.821 -5.020 7.064 1.00 0.91 H new ATOM 0 HH TYR A 90 -11.671 -4.942 8.173 1.00 1.13 H new ATOM 1365 N ILE A 91 -8.978 0.799 3.823 1.00 0.48 N ATOM 1366 CA ILE A 91 -10.199 1.441 3.359 1.00 0.53 C ATOM 1367 C ILE A 91 -10.486 1.092 1.890 1.00 0.61 C ATOM 1368 O ILE A 91 -11.568 1.365 1.376 1.00 0.86 O ATOM 1369 CB ILE A 91 -10.103 2.976 3.544 1.00 0.50 C ATOM 1370 CG1 ILE A 91 -9.810 3.307 5.010 1.00 0.47 C ATOM 1371 CG2 ILE A 91 -11.382 3.672 3.093 1.00 0.60 C ATOM 1372 CD1 ILE A 91 -9.775 4.790 5.301 1.00 0.51 C ATOM 0 H ILE A 91 -8.192 1.437 3.948 1.00 0.48 H new ATOM 0 HA ILE A 91 -11.028 1.066 3.960 1.00 0.53 H new ATOM 0 HB ILE A 91 -9.287 3.342 2.921 1.00 0.50 H new ATOM 0 HG12 ILE A 91 -10.569 2.840 5.638 1.00 0.47 H new ATOM 0 HG13 ILE A 91 -8.852 2.868 5.288 1.00 0.47 H new ATOM 0 HG21 ILE A 91 -11.281 4.748 3.236 1.00 0.60 H new ATOM 0 HG22 ILE A 91 -11.558 3.462 2.038 1.00 0.60 H new ATOM 0 HG23 ILE A 91 -12.223 3.305 3.682 1.00 0.60 H new ATOM 0 HD11 ILE A 91 -9.562 4.948 6.358 1.00 0.51 H new ATOM 0 HD12 ILE A 91 -8.997 5.260 4.700 1.00 0.51 H new ATOM 0 HD13 ILE A 91 -10.741 5.232 5.055 1.00 0.51 H new