USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 903 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0411 (180deg=-0.258) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= -1.5 (180deg=-2.16) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.16) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc=-0.00228 (180deg=-0.273) USER MOD Single : A 28 SER OG : rot 180:sc= -2.07 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= 0.22 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-2.7!) USER MOD Single : A 44 SER OG : rot 68:sc= 0.824 USER MOD Single : A 46 SER OG : rot 93:sc= -0.134 USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.16) USER MOD Single : A 49 TYR OH : rot -103:sc= -0.248 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.25) USER MOD Single : A 63 GLN : amide:sc= -9.06! C(o=-9.1!,f=-3.6!) USER MOD Single : A 67 SER OG : rot -78:sc= 0.167 USER MOD Single : A 72 LYS NZ :NH3+ -135:sc= -0.65 (180deg=-1.08) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 76 THR OG1 : rot 95:sc= 0.278! USER MOD Single : A 78 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.8!) USER MOD Single : A 81 LYS NZ :NH3+ 144:sc= 0.1 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= 0.609! (180deg=0.0816) USER MOD Single : A 84 GLN : amide:sc= -3.2! K(o=-3.2!,f=-0.56) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.33! K(o=-3.3!,f=-1.7) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= -0.0357 (180deg=-0.0357) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.773 K(o=-0.77,f=-3.2!) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.119) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -2.03! K(o=-2!,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.017 -1.567 10.339 1.00 1.04 N ATOM 2 CA MET A 1 -7.705 -1.313 11.004 1.00 0.78 C ATOM 3 C MET A 1 -6.566 -1.448 9.986 1.00 0.57 C ATOM 4 O MET A 1 -6.713 -2.068 8.951 1.00 0.63 O ATOM 5 CB MET A 1 -7.518 -2.313 12.152 1.00 0.79 C ATOM 6 CG MET A 1 -7.263 -3.718 11.598 1.00 1.45 C ATOM 7 SD MET A 1 -7.242 -4.901 12.968 1.00 2.32 S ATOM 8 CE MET A 1 -9.000 -5.332 12.930 1.00 2.88 C ATOM 0 H1 MET A 1 -9.593 -0.702 10.366 1.00 1.04 H new ATOM 0 H2 MET A 1 -8.857 -1.845 9.350 1.00 1.04 H new ATOM 0 H3 MET A 1 -9.516 -2.332 10.837 1.00 1.04 H new ATOM 0 HA MET A 1 -7.689 -0.300 11.406 1.00 0.78 H new ATOM 0 HB2 MET A 1 -6.681 -2.005 12.779 1.00 0.79 H new ATOM 0 HB3 MET A 1 -8.405 -2.320 12.785 1.00 0.79 H new ATOM 0 HG2 MET A 1 -8.040 -3.986 10.882 1.00 1.45 H new ATOM 0 HG3 MET A 1 -6.313 -3.745 11.064 1.00 1.45 H new ATOM 0 HE1 MET A 1 -9.212 -6.064 13.709 1.00 2.88 H new ATOM 0 HE2 MET A 1 -9.598 -4.437 13.101 1.00 2.88 H new ATOM 0 HE3 MET A 1 -9.250 -5.755 11.957 1.00 2.88 H new ATOM 20 N VAL A 2 -5.428 -0.869 10.276 1.00 0.41 N ATOM 21 CA VAL A 2 -4.263 -0.940 9.332 1.00 0.28 C ATOM 22 C VAL A 2 -3.285 -2.028 9.792 1.00 0.23 C ATOM 23 O VAL A 2 -3.272 -2.409 10.946 1.00 0.24 O ATOM 24 CB VAL A 2 -3.547 0.413 9.337 1.00 0.33 C ATOM 25 CG1 VAL A 2 -2.299 0.347 8.451 1.00 0.45 C ATOM 26 CG2 VAL A 2 -4.499 1.489 8.807 1.00 0.40 C ATOM 0 H VAL A 2 -5.252 -0.345 11.133 1.00 0.41 H new ATOM 0 HA VAL A 2 -4.617 -1.179 8.329 1.00 0.28 H new ATOM 0 HB VAL A 2 -3.245 0.659 10.355 1.00 0.33 H new ATOM 0 HG11 VAL A 2 -1.795 1.313 8.460 1.00 0.45 H new ATOM 0 HG12 VAL A 2 -1.623 -0.418 8.832 1.00 0.45 H new ATOM 0 HG13 VAL A 2 -2.590 0.099 7.430 1.00 0.45 H new ATOM 0 HG21 VAL A 2 -3.994 2.455 8.809 1.00 0.40 H new ATOM 0 HG22 VAL A 2 -4.801 1.239 7.790 1.00 0.40 H new ATOM 0 HG23 VAL A 2 -5.381 1.540 9.445 1.00 0.40 H new ATOM 36 N LYS A 3 -2.457 -2.526 8.898 1.00 0.20 N ATOM 37 CA LYS A 3 -1.465 -3.585 9.280 1.00 0.18 C ATOM 38 C LYS A 3 -0.086 -3.163 8.777 1.00 0.15 C ATOM 39 O LYS A 3 0.082 -2.825 7.621 1.00 0.16 O ATOM 40 CB LYS A 3 -1.855 -4.917 8.616 1.00 0.19 C ATOM 41 CG LYS A 3 -0.983 -6.071 9.151 1.00 0.20 C ATOM 42 CD LYS A 3 -1.540 -6.584 10.488 1.00 0.81 C ATOM 43 CE LYS A 3 -0.728 -7.793 10.958 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.370 -8.378 12.174 1.00 1.67 N ATOM 0 H LYS A 3 -2.427 -2.243 7.919 1.00 0.20 H new ATOM 0 HA LYS A 3 -1.453 -3.709 10.363 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.906 -5.130 8.808 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.738 -4.838 7.535 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.957 -6.883 8.424 1.00 0.20 H new ATOM 0 HG3 LYS A 3 0.043 -5.729 9.284 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.499 -5.793 11.237 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.588 -6.860 10.374 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.675 -8.540 10.166 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.296 -7.493 11.182 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.820 -9.200 12.496 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.399 -7.664 12.929 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -2.339 -8.678 11.945 1.00 1.67 H new ATOM 58 N GLN A 4 0.909 -3.190 9.627 1.00 0.15 N ATOM 59 CA GLN A 4 2.279 -2.803 9.189 1.00 0.14 C ATOM 60 C GLN A 4 3.053 -4.067 8.836 1.00 0.12 C ATOM 61 O GLN A 4 3.198 -4.964 9.643 1.00 0.13 O ATOM 62 CB GLN A 4 3.003 -2.073 10.323 1.00 0.16 C ATOM 63 CG GLN A 4 4.391 -1.634 9.843 1.00 0.17 C ATOM 64 CD GLN A 4 5.075 -0.813 10.937 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.775 -0.967 12.105 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.989 0.058 10.607 1.00 0.31 N ATOM 0 H GLN A 4 0.829 -3.464 10.606 1.00 0.15 H new ATOM 0 HA GLN A 4 2.213 -2.143 8.324 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.424 -1.205 10.639 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.096 -2.727 11.190 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.995 -2.507 9.598 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.302 -1.042 8.932 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.240 0.187 9.627 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.452 0.610 11.329 1.00 0.31 H new ATOM 75 N ILE A 5 3.565 -4.139 7.643 1.00 0.10 N ATOM 76 CA ILE A 5 4.345 -5.336 7.228 1.00 0.10 C ATOM 77 C ILE A 5 5.829 -5.000 7.326 1.00 0.10 C ATOM 78 O ILE A 5 6.331 -4.177 6.588 1.00 0.11 O ATOM 79 CB ILE A 5 4.005 -5.666 5.777 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.480 -5.730 5.603 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.633 -7.004 5.380 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.865 -6.686 6.633 1.00 0.19 C ATOM 0 H ILE A 5 3.476 -3.414 6.931 1.00 0.10 H new ATOM 0 HA ILE A 5 4.107 -6.187 7.867 1.00 0.10 H new ATOM 0 HB ILE A 5 4.407 -4.885 5.132 1.00 0.11 H new ATOM 0 HG12 ILE A 5 2.052 -4.734 5.720 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.236 -6.065 4.595 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.384 -7.229 4.343 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.716 -6.944 5.488 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.247 -7.793 6.026 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.784 -6.721 6.497 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.280 -7.684 6.496 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.093 -6.333 7.639 1.00 0.19 H new ATOM 94 N GLU A 6 6.541 -5.634 8.219 1.00 0.11 N ATOM 95 CA GLU A 6 8.003 -5.352 8.347 1.00 0.13 C ATOM 96 C GLU A 6 8.794 -6.442 7.622 1.00 0.12 C ATOM 97 O GLU A 6 10.002 -6.382 7.528 1.00 0.13 O ATOM 98 CB GLU A 6 8.392 -5.347 9.825 1.00 0.15 C ATOM 99 CG GLU A 6 7.610 -4.260 10.567 1.00 0.17 C ATOM 100 CD GLU A 6 7.991 -4.292 12.046 1.00 1.45 C ATOM 101 OE1 GLU A 6 8.553 -5.287 12.470 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.721 -3.319 12.731 1.00 2.25 O ATOM 0 H GLU A 6 6.176 -6.334 8.865 1.00 0.11 H new ATOM 0 HA GLU A 6 8.227 -4.380 7.906 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.186 -6.322 10.267 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.463 -5.171 9.927 1.00 0.15 H new ATOM 0 HG2 GLU A 6 7.832 -3.281 10.143 1.00 0.17 H new ATOM 0 HG3 GLU A 6 6.538 -4.422 10.451 1.00 0.17 H new ATOM 109 N SER A 7 8.122 -7.435 7.100 1.00 0.12 N ATOM 110 CA SER A 7 8.848 -8.524 6.375 1.00 0.13 C ATOM 111 C SER A 7 7.948 -9.159 5.319 1.00 0.12 C ATOM 112 O SER A 7 6.737 -9.138 5.416 1.00 0.12 O ATOM 113 CB SER A 7 9.284 -9.608 7.366 1.00 0.15 C ATOM 114 OG SER A 7 8.139 -10.144 8.011 1.00 0.15 O ATOM 0 H SER A 7 7.108 -7.540 7.143 1.00 0.12 H new ATOM 0 HA SER A 7 9.721 -8.087 5.890 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.824 -10.398 6.844 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.968 -9.188 8.104 1.00 0.15 H new ATOM 0 HG SER A 7 8.416 -10.839 8.644 1.00 0.15 H new ATOM 120 N LYS A 8 8.540 -9.748 4.318 1.00 0.14 N ATOM 121 CA LYS A 8 7.734 -10.417 3.263 1.00 0.15 C ATOM 122 C LYS A 8 6.990 -11.587 3.897 1.00 0.15 C ATOM 123 O LYS A 8 5.899 -11.934 3.499 1.00 0.16 O ATOM 124 CB LYS A 8 8.648 -10.913 2.141 1.00 0.18 C ATOM 125 CG LYS A 8 7.790 -11.369 0.958 1.00 0.21 C ATOM 126 CD LYS A 8 8.672 -11.881 -0.193 1.00 0.43 C ATOM 127 CE LYS A 8 9.572 -13.030 0.282 1.00 0.80 C ATOM 128 NZ LYS A 8 8.833 -13.880 1.257 1.00 1.65 N ATOM 0 H LYS A 8 9.550 -9.794 4.186 1.00 0.14 H new ATOM 0 HA LYS A 8 7.020 -9.714 2.834 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.326 -10.118 1.829 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.266 -11.737 2.497 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.110 -12.158 1.279 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.174 -10.540 0.609 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.043 -12.221 -1.016 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.286 -11.066 -0.577 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.890 -13.631 -0.570 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.474 -12.630 0.745 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 9.278 -14.819 1.306 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 8.860 -13.435 2.196 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 7.844 -13.981 0.950 1.00 1.65 H new ATOM 142 N THR A 9 7.574 -12.197 4.891 1.00 0.15 N ATOM 143 CA THR A 9 6.891 -13.344 5.547 1.00 0.17 C ATOM 144 C THR A 9 5.509 -12.895 6.023 1.00 0.16 C ATOM 145 O THR A 9 4.516 -13.550 5.782 1.00 0.17 O ATOM 146 CB THR A 9 7.714 -13.802 6.756 1.00 0.19 C ATOM 147 OG1 THR A 9 9.033 -14.120 6.337 1.00 0.22 O ATOM 148 CG2 THR A 9 7.066 -15.035 7.403 1.00 0.23 C ATOM 0 H THR A 9 8.487 -11.953 5.274 1.00 0.15 H new ATOM 0 HA THR A 9 6.792 -14.167 4.839 1.00 0.17 H new ATOM 0 HB THR A 9 7.747 -12.996 7.489 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.560 -14.411 7.110 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.660 -15.350 8.261 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.057 -14.785 7.732 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.020 -15.846 6.676 1.00 0.23 H new ATOM 156 N ALA A 10 5.440 -11.776 6.685 1.00 0.15 N ATOM 157 CA ALA A 10 4.122 -11.271 7.162 1.00 0.15 C ATOM 158 C ALA A 10 3.277 -10.861 5.959 1.00 0.14 C ATOM 159 O ALA A 10 2.065 -10.934 5.985 1.00 0.15 O ATOM 160 CB ALA A 10 4.330 -10.060 8.078 1.00 0.17 C ATOM 0 H ALA A 10 6.240 -11.187 6.917 1.00 0.15 H new ATOM 0 HA ALA A 10 3.612 -12.057 7.720 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.363 -9.695 8.424 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.935 -10.352 8.936 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.840 -9.270 7.527 1.00 0.17 H new ATOM 166 N PHE A 11 3.905 -10.425 4.902 1.00 0.14 N ATOM 167 CA PHE A 11 3.128 -9.999 3.705 1.00 0.13 C ATOM 168 C PHE A 11 2.301 -11.173 3.200 1.00 0.14 C ATOM 169 O PHE A 11 1.130 -11.042 2.899 1.00 0.14 O ATOM 170 CB PHE A 11 4.114 -9.584 2.608 1.00 0.14 C ATOM 171 CG PHE A 11 3.379 -8.931 1.458 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.740 -7.701 1.645 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.357 -9.546 0.197 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.075 -7.090 0.577 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.692 -8.933 -0.870 1.00 0.14 C ATOM 176 CZ PHE A 11 2.051 -7.704 -0.680 1.00 0.14 C ATOM 0 H PHE A 11 4.918 -10.346 4.816 1.00 0.14 H new ATOM 0 HA PHE A 11 2.471 -9.168 3.963 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.852 -8.893 3.016 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.659 -10.458 2.250 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.760 -7.223 2.613 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.854 -10.494 0.050 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.579 -6.142 0.723 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.673 -9.408 -1.840 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.538 -7.229 -1.503 1.00 0.14 H new ATOM 186 N GLN A 12 2.900 -12.323 3.119 1.00 0.14 N ATOM 187 CA GLN A 12 2.151 -13.516 2.640 1.00 0.16 C ATOM 188 C GLN A 12 1.028 -13.825 3.629 1.00 0.15 C ATOM 189 O GLN A 12 -0.083 -14.141 3.255 1.00 0.16 O ATOM 190 CB GLN A 12 3.116 -14.702 2.574 1.00 0.18 C ATOM 191 CG GLN A 12 4.260 -14.371 1.616 1.00 0.17 C ATOM 192 CD GLN A 12 3.701 -14.183 0.202 1.00 0.40 C ATOM 193 OE1 GLN A 12 4.072 -13.258 -0.494 1.00 1.12 O ATOM 194 NE2 GLN A 12 2.812 -15.026 -0.254 1.00 1.31 N ATOM 0 H GLN A 12 3.876 -12.491 3.363 1.00 0.14 H new ATOM 0 HA GLN A 12 1.726 -13.329 1.654 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.510 -14.921 3.567 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.590 -15.595 2.236 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.770 -13.464 1.941 1.00 0.17 H new ATOM 0 HG3 GLN A 12 4.999 -15.172 1.623 1.00 0.17 H new ATOM 0 HE21 GLN A 12 2.500 -15.803 0.329 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.431 -14.907 -1.193 1.00 1.31 H new ATOM 203 N GLU A 13 1.320 -13.721 4.894 1.00 0.16 N ATOM 204 CA GLU A 13 0.292 -13.990 5.937 1.00 0.17 C ATOM 205 C GLU A 13 -0.825 -12.955 5.848 1.00 0.15 C ATOM 206 O GLU A 13 -1.983 -13.255 6.057 1.00 0.16 O ATOM 207 CB GLU A 13 0.964 -13.918 7.313 1.00 0.19 C ATOM 208 CG GLU A 13 2.002 -15.038 7.442 1.00 0.28 C ATOM 209 CD GLU A 13 1.298 -16.396 7.386 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.102 -16.431 7.626 1.00 1.67 O ATOM 211 OE2 GLU A 13 1.964 -17.377 7.103 1.00 1.77 O ATOM 0 H GLU A 13 2.237 -13.458 5.254 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.141 -14.979 5.786 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.444 -12.948 7.443 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.215 -14.011 8.099 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.735 -14.963 6.639 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.547 -14.937 8.381 1.00 0.28 H new ATOM 218 N ALA A 14 -0.484 -11.734 5.554 1.00 0.15 N ATOM 219 CA ALA A 14 -1.522 -10.675 5.464 1.00 0.14 C ATOM 220 C ALA A 14 -2.416 -10.942 4.256 1.00 0.13 C ATOM 221 O ALA A 14 -3.621 -10.807 4.320 1.00 0.13 O ATOM 222 CB ALA A 14 -0.841 -9.313 5.310 1.00 0.15 C ATOM 0 H ALA A 14 0.470 -11.424 5.372 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.129 -10.677 6.369 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.599 -8.533 5.244 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.202 -9.126 6.173 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.236 -9.309 4.403 1.00 0.15 H new ATOM 228 N LEU A 15 -1.833 -11.316 3.153 1.00 0.12 N ATOM 229 CA LEU A 15 -2.653 -11.586 1.946 1.00 0.12 C ATOM 230 C LEU A 15 -3.629 -12.711 2.268 1.00 0.13 C ATOM 231 O LEU A 15 -4.780 -12.683 1.883 1.00 0.13 O ATOM 232 CB LEU A 15 -1.730 -12.020 0.803 1.00 0.13 C ATOM 233 CG LEU A 15 -0.867 -10.830 0.351 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.243 -11.328 -0.589 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.729 -9.776 -0.374 1.00 0.17 C ATOM 0 H LEU A 15 -0.828 -11.445 3.037 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.201 -10.692 1.649 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.092 -12.841 1.130 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.322 -12.391 -0.034 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.422 -10.367 1.232 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.854 -10.484 -0.909 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.868 -12.050 -0.064 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.205 -11.803 -1.462 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.099 -8.943 -0.685 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.194 -10.227 -1.251 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.504 -9.413 0.301 1.00 0.17 H new ATOM 247 N ASP A 16 -3.173 -13.697 2.987 1.00 0.13 N ATOM 248 CA ASP A 16 -4.064 -14.826 3.355 1.00 0.15 C ATOM 249 C ASP A 16 -5.117 -14.353 4.368 1.00 0.15 C ATOM 250 O ASP A 16 -6.240 -14.820 4.376 1.00 0.16 O ATOM 251 CB ASP A 16 -3.236 -15.972 3.938 1.00 0.17 C ATOM 252 CG ASP A 16 -4.105 -17.226 4.028 1.00 0.19 C ATOM 253 OD1 ASP A 16 -4.975 -17.261 4.883 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.890 -18.131 3.237 1.00 1.07 O ATOM 0 H ASP A 16 -2.217 -13.768 3.336 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.577 -15.185 2.463 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.365 -16.163 3.311 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.864 -15.701 4.926 1.00 0.17 H new ATOM 259 N ALA A 17 -4.751 -13.448 5.240 1.00 0.15 N ATOM 260 CA ALA A 17 -5.716 -12.953 6.268 1.00 0.16 C ATOM 261 C ALA A 17 -6.839 -12.162 5.591 1.00 0.15 C ATOM 262 O ALA A 17 -7.997 -12.290 5.940 1.00 0.17 O ATOM 263 CB ALA A 17 -4.978 -12.042 7.255 1.00 0.18 C ATOM 0 H ALA A 17 -3.822 -13.029 5.284 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.146 -13.803 6.798 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.678 -11.678 8.007 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.181 -12.604 7.742 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.550 -11.196 6.718 1.00 0.18 H new ATOM 269 N ALA A 18 -6.509 -11.347 4.629 1.00 0.14 N ATOM 270 CA ALA A 18 -7.558 -10.545 3.929 1.00 0.15 C ATOM 271 C ALA A 18 -8.558 -11.477 3.243 1.00 0.14 C ATOM 272 O ALA A 18 -9.725 -11.163 3.114 1.00 0.17 O ATOM 273 CB ALA A 18 -6.902 -9.659 2.870 1.00 0.15 C ATOM 0 H ALA A 18 -5.557 -11.199 4.294 1.00 0.14 H new ATOM 0 HA ALA A 18 -8.078 -9.928 4.662 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.667 -9.074 2.360 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.190 -8.986 3.349 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.380 -10.284 2.146 1.00 0.15 H new ATOM 279 N GLY A 19 -8.113 -12.616 2.796 1.00 0.16 N ATOM 280 CA GLY A 19 -9.044 -13.554 2.114 1.00 0.20 C ATOM 281 C GLY A 19 -9.488 -12.958 0.776 1.00 0.16 C ATOM 282 O GLY A 19 -8.680 -12.641 -0.074 1.00 0.17 O ATOM 0 H GLY A 19 -7.148 -12.937 2.873 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.554 -14.514 1.951 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.912 -13.743 2.745 1.00 0.20 H new ATOM 286 N ASP A 20 -10.772 -12.817 0.579 1.00 0.15 N ATOM 287 CA ASP A 20 -11.289 -12.259 -0.703 1.00 0.14 C ATOM 288 C ASP A 20 -11.455 -10.739 -0.595 1.00 0.12 C ATOM 289 O ASP A 20 -11.911 -10.092 -1.517 1.00 0.13 O ATOM 290 CB ASP A 20 -12.642 -12.901 -1.005 1.00 0.15 C ATOM 291 CG ASP A 20 -12.465 -14.416 -1.128 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.654 -14.833 -1.936 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.139 -15.131 -0.407 1.00 1.07 O ATOM 0 H ASP A 20 -11.491 -13.067 1.258 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.582 -12.474 -1.504 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.353 -12.669 -0.212 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.052 -12.495 -1.929 1.00 0.15 H new ATOM 298 N LYS A 21 -11.094 -10.160 0.519 1.00 0.12 N ATOM 299 CA LYS A 21 -11.245 -8.681 0.670 1.00 0.12 C ATOM 300 C LYS A 21 -10.140 -7.970 -0.113 1.00 0.10 C ATOM 301 O LYS A 21 -9.048 -8.482 -0.266 1.00 0.11 O ATOM 302 CB LYS A 21 -11.143 -8.305 2.157 1.00 0.15 C ATOM 303 CG LYS A 21 -12.382 -8.801 2.914 1.00 0.21 C ATOM 304 CD LYS A 21 -12.507 -8.056 4.245 1.00 0.31 C ATOM 305 CE LYS A 21 -13.616 -8.699 5.077 1.00 0.80 C ATOM 306 NZ LYS A 21 -14.921 -8.530 4.378 1.00 1.50 N ATOM 0 H LYS A 21 -10.703 -10.643 1.328 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.217 -8.375 0.283 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.244 -8.743 2.590 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.053 -7.224 2.261 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.276 -8.641 2.312 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.306 -9.874 3.093 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.562 -8.093 4.786 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.732 -7.004 4.067 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -13.406 -9.758 5.227 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -13.658 -8.239 6.065 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -15.697 -8.747 5.035 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -15.013 -7.549 4.046 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -14.965 -9.176 3.564 1.00 1.50 H new ATOM 320 N LEU A 22 -10.415 -6.793 -0.616 1.00 0.11 N ATOM 321 CA LEU A 22 -9.384 -6.056 -1.393 1.00 0.12 C ATOM 322 C LEU A 22 -8.182 -5.830 -0.466 1.00 0.12 C ATOM 323 O LEU A 22 -8.305 -5.882 0.743 1.00 0.14 O ATOM 324 CB LEU A 22 -9.992 -4.704 -1.838 1.00 0.15 C ATOM 325 CG LEU A 22 -9.594 -4.324 -3.276 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.132 -2.905 -3.599 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.065 -4.340 -3.444 1.00 0.47 C ATOM 0 H LEU A 22 -11.310 -6.314 -0.520 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.065 -6.609 -2.277 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.078 -4.757 -1.767 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.666 -3.920 -1.155 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.026 -5.054 -3.961 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -9.852 -2.633 -4.617 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.218 -2.898 -3.507 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.704 -2.186 -2.900 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -7.809 -4.068 -4.468 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.616 -3.624 -2.755 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.686 -5.339 -3.228 1.00 0.47 H new ATOM 339 N VAL A 23 -7.025 -5.578 -1.009 1.00 0.11 N ATOM 340 CA VAL A 23 -5.830 -5.348 -0.155 1.00 0.11 C ATOM 341 C VAL A 23 -4.922 -4.342 -0.843 1.00 0.11 C ATOM 342 O VAL A 23 -4.312 -4.637 -1.851 1.00 0.17 O ATOM 343 CB VAL A 23 -5.068 -6.661 0.037 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.787 -6.391 0.835 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.946 -7.662 0.795 1.00 0.12 C ATOM 0 H VAL A 23 -6.856 -5.521 -2.013 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.145 -4.970 0.818 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.810 -7.078 -0.937 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.241 -7.324 0.974 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.162 -5.683 0.291 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.046 -5.974 1.808 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.400 -8.596 0.930 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.208 -7.251 1.770 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.856 -7.853 0.225 1.00 0.12 H new ATOM 355 N VAL A 24 -4.824 -3.155 -0.311 1.00 0.09 N ATOM 356 CA VAL A 24 -3.945 -2.129 -0.936 1.00 0.09 C ATOM 357 C VAL A 24 -2.618 -2.120 -0.178 1.00 0.09 C ATOM 358 O VAL A 24 -2.588 -2.302 1.022 1.00 0.10 O ATOM 359 CB VAL A 24 -4.606 -0.751 -0.846 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.786 0.251 -1.662 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.031 -0.828 -1.405 1.00 0.14 C ATOM 0 H VAL A 24 -5.315 -2.852 0.530 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.779 -2.363 -1.988 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.647 -0.429 0.195 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.251 1.235 -1.603 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.773 0.303 -1.262 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.749 -0.071 -2.703 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.501 0.153 -1.340 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.996 -1.146 -2.447 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.611 -1.546 -0.826 1.00 0.14 H new ATOM 371 N VAL A 25 -1.519 -1.944 -0.871 1.00 0.09 N ATOM 372 CA VAL A 25 -0.182 -1.955 -0.193 1.00 0.09 C ATOM 373 C VAL A 25 0.566 -0.658 -0.517 1.00 0.10 C ATOM 374 O VAL A 25 0.829 -0.352 -1.662 1.00 0.11 O ATOM 375 CB VAL A 25 0.616 -3.163 -0.711 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.936 -3.294 0.051 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.205 -4.442 -0.512 1.00 0.10 C ATOM 0 H VAL A 25 -1.489 -1.793 -1.879 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.307 -2.029 0.887 1.00 0.09 H new ATOM 0 HB VAL A 25 0.826 -3.015 -1.770 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.490 -4.153 -0.326 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.528 -2.390 -0.089 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.731 -3.432 1.113 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.361 -5.298 -0.879 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.419 -4.576 0.548 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.142 -4.363 -1.064 1.00 0.10 H new ATOM 387 N ASP A 26 0.920 0.101 0.491 1.00 0.11 N ATOM 388 CA ASP A 26 1.663 1.385 0.258 1.00 0.12 C ATOM 389 C ASP A 26 3.171 1.180 0.481 1.00 0.14 C ATOM 390 O ASP A 26 3.609 0.831 1.555 1.00 0.20 O ATOM 391 CB ASP A 26 1.134 2.460 1.217 1.00 0.14 C ATOM 392 CG ASP A 26 1.909 3.762 0.997 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.913 4.246 -0.121 1.00 1.05 O ATOM 394 OD2 ASP A 26 2.487 4.254 1.955 1.00 1.04 O ATOM 0 H ASP A 26 0.727 -0.112 1.470 1.00 0.11 H new ATOM 0 HA ASP A 26 1.506 1.705 -0.772 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.070 2.624 1.046 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.244 2.128 2.249 1.00 0.14 H new ATOM 399 N PHE A 27 3.962 1.415 -0.536 1.00 0.13 N ATOM 400 CA PHE A 27 5.451 1.260 -0.417 1.00 0.13 C ATOM 401 C PHE A 27 6.088 2.614 -0.123 1.00 0.22 C ATOM 402 O PHE A 27 7.256 2.828 -0.389 1.00 0.73 O ATOM 403 CB PHE A 27 6.033 0.715 -1.726 1.00 0.11 C ATOM 404 CG PHE A 27 5.731 -0.756 -1.865 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.539 -1.694 -1.211 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.668 -1.186 -2.666 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.282 -3.061 -1.355 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.410 -2.554 -2.806 1.00 0.14 C ATOM 409 CZ PHE A 27 5.218 -3.491 -2.152 1.00 0.14 C ATOM 0 H PHE A 27 3.638 1.712 -1.457 1.00 0.13 H new ATOM 0 HA PHE A 27 5.664 0.564 0.394 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.614 1.260 -2.572 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.111 0.875 -1.746 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.361 -1.362 -0.595 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.048 -0.463 -3.175 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.906 -3.784 -0.850 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.586 -2.887 -3.420 1.00 0.14 H new ATOM 0 HZ PHE A 27 5.019 -4.547 -2.263 1.00 0.14 H new ATOM 419 N SER A 28 5.341 3.539 0.393 1.00 0.30 N ATOM 420 CA SER A 28 5.923 4.878 0.659 1.00 0.24 C ATOM 421 C SER A 28 7.127 4.747 1.581 1.00 0.24 C ATOM 422 O SER A 28 7.158 3.924 2.473 1.00 0.28 O ATOM 423 CB SER A 28 4.885 5.770 1.338 1.00 0.27 C ATOM 424 OG SER A 28 3.750 5.915 0.492 1.00 0.29 O ATOM 0 H SER A 28 4.358 3.430 0.642 1.00 0.30 H new ATOM 0 HA SER A 28 6.229 5.319 -0.290 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.586 5.335 2.292 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.317 6.747 1.554 1.00 0.27 H new ATOM 0 HG SER A 28 3.086 6.486 0.931 1.00 0.29 H new ATOM 430 N ALA A 29 8.115 5.574 1.378 1.00 0.20 N ATOM 431 CA ALA A 29 9.318 5.524 2.246 1.00 0.21 C ATOM 432 C ALA A 29 9.012 6.320 3.506 1.00 0.22 C ATOM 433 O ALA A 29 8.592 7.457 3.442 1.00 0.22 O ATOM 434 CB ALA A 29 10.514 6.152 1.510 1.00 0.19 C ATOM 0 H ALA A 29 8.138 6.283 0.645 1.00 0.20 H new ATOM 0 HA ALA A 29 9.568 4.493 2.497 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.396 6.114 2.150 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.708 5.598 0.592 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.287 7.190 1.266 1.00 0.19 H new ATOM 440 N THR A 30 9.209 5.741 4.651 1.00 0.23 N ATOM 441 CA THR A 30 8.914 6.493 5.891 1.00 0.24 C ATOM 442 C THR A 30 9.929 7.625 6.034 1.00 0.22 C ATOM 443 O THR A 30 9.625 8.680 6.553 1.00 0.22 O ATOM 444 CB THR A 30 8.990 5.553 7.098 1.00 0.28 C ATOM 445 OG1 THR A 30 8.740 6.291 8.285 1.00 0.30 O ATOM 446 CG2 THR A 30 10.373 4.908 7.170 1.00 0.29 C ATOM 0 H THR A 30 9.557 4.791 4.781 1.00 0.23 H new ATOM 0 HA THR A 30 7.909 6.912 5.843 1.00 0.24 H new ATOM 0 HB THR A 30 8.240 4.769 6.993 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.787 5.691 9.059 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.419 4.241 8.031 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.557 4.338 6.259 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.132 5.684 7.271 1.00 0.29 H new ATOM 454 N TRP A 31 11.132 7.427 5.563 1.00 0.22 N ATOM 455 CA TRP A 31 12.153 8.512 5.674 1.00 0.21 C ATOM 456 C TRP A 31 11.854 9.644 4.688 1.00 0.19 C ATOM 457 O TRP A 31 12.320 10.754 4.853 1.00 0.22 O ATOM 458 CB TRP A 31 13.534 7.957 5.371 1.00 0.23 C ATOM 459 CG TRP A 31 13.567 7.431 3.974 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.424 6.136 3.641 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.734 8.160 2.725 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.543 6.007 2.270 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.723 7.231 1.659 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.904 9.519 2.418 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.875 7.638 0.335 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.052 9.934 1.087 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.039 8.996 0.047 1.00 0.21 C ATOM 0 H TRP A 31 11.450 6.570 5.110 1.00 0.22 H new ATOM 0 HA TRP A 31 12.119 8.902 6.691 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.286 8.737 5.495 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.780 7.162 6.075 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.245 5.327 4.334 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.503 5.118 1.772 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.921 10.250 3.213 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.866 6.910 -0.463 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.177 10.983 0.862 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.156 9.321 -0.976 1.00 0.21 H new ATOM 478 N CYS A 32 11.096 9.383 3.658 1.00 0.18 N ATOM 479 CA CYS A 32 10.799 10.461 2.672 1.00 0.17 C ATOM 480 C CYS A 32 9.656 11.318 3.218 1.00 0.17 C ATOM 481 O CYS A 32 8.587 10.833 3.534 1.00 0.20 O ATOM 482 CB CYS A 32 10.420 9.821 1.323 1.00 0.18 C ATOM 483 SG CYS A 32 10.375 11.086 0.020 1.00 0.26 S ATOM 0 H CYS A 32 10.672 8.477 3.457 1.00 0.18 H new ATOM 0 HA CYS A 32 11.671 11.096 2.515 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.142 9.047 1.064 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.447 9.336 1.403 1.00 0.18 H new ATOM 488 N GLY A 33 9.896 12.595 3.357 1.00 0.20 N ATOM 489 CA GLY A 33 8.860 13.508 3.913 1.00 0.23 C ATOM 490 C GLY A 33 7.619 13.577 3.014 1.00 0.21 C ATOM 491 O GLY A 33 6.519 13.368 3.483 1.00 0.22 O ATOM 0 H GLY A 33 10.775 13.047 3.106 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.570 13.167 4.907 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.281 14.507 4.029 1.00 0.23 H new ATOM 495 N PRO A 34 7.759 13.883 1.743 1.00 0.21 N ATOM 496 CA PRO A 34 6.563 13.961 0.863 1.00 0.22 C ATOM 497 C PRO A 34 5.805 12.627 0.780 1.00 0.22 C ATOM 498 O PRO A 34 4.603 12.605 0.603 1.00 0.24 O ATOM 499 CB PRO A 34 7.166 14.377 -0.495 1.00 0.29 C ATOM 500 CG PRO A 34 8.699 14.281 -0.390 1.00 0.31 C ATOM 501 CD PRO A 34 9.075 14.172 1.099 1.00 0.24 C ATOM 0 HA PRO A 34 5.811 14.659 1.230 1.00 0.22 H new ATOM 0 HB2 PRO A 34 6.798 13.728 -1.289 1.00 0.29 H new ATOM 0 HB3 PRO A 34 6.865 15.393 -0.749 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.064 13.412 -0.938 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.166 15.159 -0.836 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.798 13.376 1.278 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.517 15.095 1.475 1.00 0.24 H new ATOM 509 N ALA A 35 6.488 11.520 0.912 1.00 0.21 N ATOM 510 CA ALA A 35 5.782 10.207 0.839 1.00 0.23 C ATOM 511 C ALA A 35 5.053 9.938 2.161 1.00 0.23 C ATOM 512 O ALA A 35 3.866 9.684 2.189 1.00 0.22 O ATOM 513 CB ALA A 35 6.801 9.092 0.569 1.00 0.24 C ATOM 0 H ALA A 35 7.495 11.468 1.066 1.00 0.21 H new ATOM 0 HA ALA A 35 5.053 10.232 0.029 1.00 0.23 H new ATOM 0 HB1 ALA A 35 6.286 8.133 0.516 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.309 9.284 -0.376 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.534 9.066 1.376 1.00 0.24 H new ATOM 519 N LYS A 36 5.761 9.994 3.257 1.00 0.25 N ATOM 520 CA LYS A 36 5.115 9.746 4.580 1.00 0.27 C ATOM 521 C LYS A 36 4.026 10.793 4.826 1.00 0.26 C ATOM 522 O LYS A 36 2.980 10.502 5.370 1.00 0.27 O ATOM 523 CB LYS A 36 6.160 9.829 5.695 1.00 0.33 C ATOM 524 CG LYS A 36 5.521 9.422 7.028 1.00 0.37 C ATOM 525 CD LYS A 36 6.533 9.625 8.157 1.00 0.44 C ATOM 526 CE LYS A 36 5.907 9.233 9.498 1.00 0.89 C ATOM 527 NZ LYS A 36 6.899 9.461 10.588 1.00 1.59 N ATOM 0 H LYS A 36 6.759 10.201 3.294 1.00 0.25 H new ATOM 0 HA LYS A 36 4.670 8.751 4.577 1.00 0.27 H new ATOM 0 HB2 LYS A 36 7.002 9.174 5.468 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.554 10.843 5.763 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.628 10.019 7.213 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.206 8.379 6.990 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.423 9.023 7.972 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.853 10.666 8.186 1.00 0.44 H new ATOM 0 HE2 LYS A 36 5.008 9.822 9.679 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.604 8.186 9.479 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.478 9.196 11.501 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.744 8.881 10.415 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 7.167 10.466 10.609 1.00 1.59 H new ATOM 541 N MET A 37 4.272 12.013 4.430 1.00 0.28 N ATOM 542 CA MET A 37 3.268 13.093 4.654 1.00 0.30 C ATOM 543 C MET A 37 1.967 12.734 3.946 1.00 0.25 C ATOM 544 O MET A 37 0.904 13.147 4.350 1.00 0.25 O ATOM 545 CB MET A 37 3.797 14.421 4.102 1.00 0.38 C ATOM 546 CG MET A 37 2.867 15.554 4.540 1.00 0.44 C ATOM 547 SD MET A 37 3.410 17.112 3.794 1.00 1.54 S ATOM 548 CE MET A 37 4.485 17.647 5.147 1.00 2.10 C ATOM 0 H MET A 37 5.127 12.309 3.960 1.00 0.28 H new ATOM 0 HA MET A 37 3.087 13.195 5.724 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.808 14.603 4.466 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.853 14.380 3.014 1.00 0.38 H new ATOM 0 HG2 MET A 37 1.843 15.333 4.240 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.869 15.640 5.627 1.00 0.44 H new ATOM 0 HE1 MET A 37 4.935 18.607 4.896 1.00 2.10 H new ATOM 0 HE2 MET A 37 3.898 17.749 6.060 1.00 2.10 H new ATOM 0 HE3 MET A 37 5.271 16.907 5.302 1.00 2.10 H new ATOM 558 N ILE A 38 2.054 11.979 2.887 1.00 0.23 N ATOM 559 CA ILE A 38 0.837 11.571 2.125 1.00 0.25 C ATOM 560 C ILE A 38 0.141 10.381 2.807 1.00 0.26 C ATOM 561 O ILE A 38 -0.899 9.935 2.363 1.00 0.31 O ATOM 562 CB ILE A 38 1.250 11.180 0.697 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.703 12.436 -0.057 1.00 0.34 C ATOM 564 CG2 ILE A 38 0.071 10.534 -0.045 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.527 12.036 -1.275 1.00 0.49 C ATOM 0 H ILE A 38 2.931 11.621 2.510 1.00 0.23 H new ATOM 0 HA ILE A 38 0.138 12.407 2.097 1.00 0.25 H new ATOM 0 HB ILE A 38 2.067 10.460 0.748 1.00 0.33 H new ATOM 0 HG12 ILE A 38 0.835 13.018 -0.368 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.294 13.073 0.601 1.00 0.34 H new ATOM 0 HG21 ILE A 38 0.381 10.263 -1.054 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -0.248 9.639 0.489 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -0.757 11.241 -0.097 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.847 12.931 -1.808 1.00 0.49 H new ATOM 0 HD12 ILE A 38 3.403 11.473 -0.953 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.921 11.417 -1.937 1.00 0.49 H new ATOM 577 N LYS A 39 0.702 9.833 3.856 1.00 0.27 N ATOM 578 CA LYS A 39 0.041 8.650 4.486 1.00 0.34 C ATOM 579 C LYS A 39 -1.347 8.977 5.089 1.00 0.30 C ATOM 580 O LYS A 39 -2.137 8.074 5.237 1.00 0.33 O ATOM 581 CB LYS A 39 0.916 7.955 5.568 1.00 0.46 C ATOM 582 CG LYS A 39 0.862 8.687 6.926 1.00 0.50 C ATOM 583 CD LYS A 39 1.799 8.029 7.956 1.00 0.65 C ATOM 584 CE LYS A 39 1.702 6.500 7.923 1.00 0.80 C ATOM 585 NZ LYS A 39 2.360 5.949 9.141 1.00 0.75 N ATOM 0 H LYS A 39 1.569 10.144 4.295 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.094 7.955 3.657 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.579 6.927 5.699 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.949 7.911 5.223 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.144 9.731 6.790 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.160 8.680 7.305 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.827 8.332 7.757 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.549 8.387 8.955 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.658 6.189 7.885 1.00 0.80 H new ATOM 0 HE3 LYS A 39 2.183 6.111 7.026 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 2.952 5.136 8.878 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 2.954 6.683 9.577 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.634 5.643 9.820 1.00 0.75 H new ATOM 599 N PRO A 40 -1.676 10.198 5.504 1.00 0.26 N ATOM 600 CA PRO A 40 -3.012 10.413 6.133 1.00 0.25 C ATOM 601 C PRO A 40 -4.165 10.000 5.221 1.00 0.20 C ATOM 602 O PRO A 40 -5.120 9.416 5.667 1.00 0.21 O ATOM 603 CB PRO A 40 -3.007 11.928 6.384 1.00 0.26 C ATOM 604 CG PRO A 40 -1.549 12.369 6.363 1.00 0.28 C ATOM 605 CD PRO A 40 -0.838 11.431 5.385 1.00 0.27 C ATOM 0 HA PRO A 40 -3.163 9.813 7.030 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.580 12.449 5.617 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.469 12.163 7.343 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.460 13.407 6.042 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.107 12.303 7.357 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.829 11.826 4.369 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.200 11.252 5.667 1.00 0.27 H new ATOM 613 N PHE A 41 -4.092 10.278 3.950 1.00 0.16 N ATOM 614 CA PHE A 41 -5.217 9.860 3.074 1.00 0.13 C ATOM 615 C PHE A 41 -5.224 8.334 3.002 1.00 0.13 C ATOM 616 O PHE A 41 -6.235 7.690 3.167 1.00 0.15 O ATOM 617 CB PHE A 41 -5.004 10.403 1.662 1.00 0.14 C ATOM 618 CG PHE A 41 -5.176 11.902 1.628 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.189 12.729 2.178 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.309 12.468 1.030 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.336 14.121 2.133 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.455 13.859 0.984 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.469 14.685 1.535 1.00 0.37 C ATOM 0 H PHE A 41 -3.322 10.764 3.490 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.156 10.241 3.476 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -4.005 10.140 1.314 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.713 9.936 0.978 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.314 12.293 2.637 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.070 11.831 0.604 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.576 14.759 2.559 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.329 14.295 0.523 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.582 15.758 1.499 1.00 0.37 H new ATOM 633 N PHE A 42 -4.078 7.748 2.795 1.00 0.12 N ATOM 634 CA PHE A 42 -4.001 6.265 2.729 1.00 0.13 C ATOM 635 C PHE A 42 -4.481 5.658 4.054 1.00 0.14 C ATOM 636 O PHE A 42 -5.370 4.830 4.087 1.00 0.16 O ATOM 637 CB PHE A 42 -2.540 5.872 2.463 1.00 0.13 C ATOM 638 CG PHE A 42 -2.415 4.370 2.440 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.795 3.647 1.304 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.936 3.697 3.573 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.700 2.251 1.304 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.837 2.302 3.569 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.220 1.577 2.436 1.00 0.13 C ATOM 0 H PHE A 42 -3.190 8.234 2.669 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.639 5.888 1.930 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.208 6.289 1.512 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.894 6.289 3.236 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.161 4.165 0.430 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.643 4.256 4.449 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.997 1.691 0.430 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.465 1.785 4.441 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.146 0.500 2.433 1.00 0.13 H new ATOM 653 N HIS A 43 -3.904 6.083 5.141 1.00 0.16 N ATOM 654 CA HIS A 43 -4.297 5.558 6.482 1.00 0.18 C ATOM 655 C HIS A 43 -5.719 6.003 6.864 1.00 0.16 C ATOM 656 O HIS A 43 -6.480 5.245 7.428 1.00 0.16 O ATOM 657 CB HIS A 43 -3.286 6.084 7.508 1.00 0.23 C ATOM 658 CG HIS A 43 -3.634 5.587 8.880 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.040 4.468 9.441 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.537 6.036 9.804 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.594 4.281 10.653 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.515 5.210 10.924 1.00 0.31 N ATOM 0 H HIS A 43 -3.163 6.784 5.160 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.295 4.468 6.461 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.281 5.758 7.239 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.281 7.174 7.499 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.172 6.901 9.683 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.327 3.478 11.324 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.080 5.295 11.769 1.00 0.31 H new ATOM 670 N SER A 44 -6.082 7.224 6.574 1.00 0.15 N ATOM 671 CA SER A 44 -7.455 7.710 6.932 1.00 0.15 C ATOM 672 C SER A 44 -8.526 6.896 6.195 1.00 0.13 C ATOM 673 O SER A 44 -9.577 6.599 6.730 1.00 0.15 O ATOM 674 CB SER A 44 -7.610 9.184 6.562 1.00 0.18 C ATOM 675 OG SER A 44 -6.680 9.956 7.310 1.00 0.22 O ATOM 0 H SER A 44 -5.490 7.909 6.105 1.00 0.15 H new ATOM 0 HA SER A 44 -7.584 7.587 8.007 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.440 9.323 5.494 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.627 9.518 6.769 1.00 0.18 H new ATOM 0 HG SER A 44 -5.769 9.747 7.015 1.00 0.22 H new ATOM 681 N LEU A 45 -8.279 6.561 4.957 1.00 0.12 N ATOM 682 CA LEU A 45 -9.289 5.795 4.163 1.00 0.14 C ATOM 683 C LEU A 45 -9.553 4.434 4.809 1.00 0.13 C ATOM 684 O LEU A 45 -10.576 3.819 4.577 1.00 0.15 O ATOM 685 CB LEU A 45 -8.779 5.589 2.730 1.00 0.16 C ATOM 686 CG LEU A 45 -8.797 6.923 1.949 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.853 6.832 0.744 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.209 7.225 1.436 1.00 0.22 C ATOM 0 H LEU A 45 -7.418 6.785 4.458 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.218 6.365 4.141 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.766 5.188 2.753 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.401 4.854 2.219 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.475 7.717 2.623 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.869 7.775 0.197 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.839 6.631 1.090 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.178 6.026 0.087 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.203 8.168 0.889 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.535 6.423 0.774 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.895 7.300 2.280 1.00 0.22 H new ATOM 700 N SER A 46 -8.644 3.944 5.606 1.00 0.12 N ATOM 701 CA SER A 46 -8.860 2.611 6.238 1.00 0.12 C ATOM 702 C SER A 46 -10.205 2.627 6.950 1.00 0.14 C ATOM 703 O SER A 46 -10.911 1.641 6.994 1.00 0.16 O ATOM 704 CB SER A 46 -7.764 2.346 7.269 1.00 0.13 C ATOM 705 OG SER A 46 -6.499 2.391 6.626 1.00 0.14 O ATOM 0 H SER A 46 -7.766 4.405 5.846 1.00 0.12 H new ATOM 0 HA SER A 46 -8.837 1.834 5.474 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.808 3.090 8.064 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.914 1.372 7.735 1.00 0.13 H new ATOM 0 HG SER A 46 -6.131 3.297 6.691 1.00 0.14 H new ATOM 711 N GLU A 47 -10.567 3.748 7.505 1.00 0.15 N ATOM 712 CA GLU A 47 -11.872 3.843 8.211 1.00 0.18 C ATOM 713 C GLU A 47 -12.957 4.250 7.208 1.00 0.18 C ATOM 714 O GLU A 47 -14.134 4.112 7.476 1.00 0.21 O ATOM 715 CB GLU A 47 -11.767 4.910 9.306 1.00 0.22 C ATOM 716 CG GLU A 47 -10.864 4.409 10.439 1.00 0.23 C ATOM 717 CD GLU A 47 -9.403 4.395 9.976 1.00 1.34 C ATOM 718 OE1 GLU A 47 -9.104 5.061 8.998 1.00 2.05 O ATOM 719 OE2 GLU A 47 -8.609 3.712 10.603 1.00 2.16 O ATOM 0 H GLU A 47 -10.013 4.605 7.500 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.127 2.881 8.655 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.364 5.833 8.889 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.758 5.143 9.695 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -10.971 5.052 11.312 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -11.168 3.407 10.742 1.00 0.23 H new ATOM 726 N LYS A 48 -12.581 4.729 6.045 1.00 0.17 N ATOM 727 CA LYS A 48 -13.617 5.109 5.041 1.00 0.19 C ATOM 728 C LYS A 48 -14.101 3.836 4.373 1.00 0.18 C ATOM 729 O LYS A 48 -15.271 3.668 4.093 1.00 0.21 O ATOM 730 CB LYS A 48 -13.030 6.050 3.988 1.00 0.20 C ATOM 731 CG LYS A 48 -14.151 6.517 3.053 1.00 0.30 C ATOM 732 CD LYS A 48 -13.561 7.377 1.939 1.00 0.82 C ATOM 733 CE LYS A 48 -14.683 7.889 1.038 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.117 8.829 0.031 1.00 1.78 N ATOM 0 H LYS A 48 -11.614 4.871 5.753 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.439 5.627 5.535 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.560 6.908 4.470 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.253 5.540 3.418 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.666 5.656 2.628 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.892 7.087 3.613 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.012 8.216 2.366 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.849 6.794 1.355 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.173 7.054 0.537 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.443 8.393 1.635 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -14.889 9.244 -0.529 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.596 9.586 0.517 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.470 8.314 -0.600 1.00 1.78 H new ATOM 748 N TYR A 49 -13.195 2.924 4.142 1.00 0.16 N ATOM 749 CA TYR A 49 -13.559 1.615 3.524 1.00 0.17 C ATOM 750 C TYR A 49 -13.096 0.530 4.484 1.00 0.16 C ATOM 751 O TYR A 49 -12.176 -0.217 4.219 1.00 0.16 O ATOM 752 CB TYR A 49 -12.853 1.458 2.171 1.00 0.17 C ATOM 753 CG TYR A 49 -13.345 2.525 1.219 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.660 2.473 0.738 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.494 3.564 0.817 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.124 3.457 -0.143 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.959 4.548 -0.066 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.274 4.494 -0.545 1.00 0.21 C ATOM 759 OH TYR A 49 -14.732 5.463 -1.415 1.00 0.25 O ATOM 0 H TYR A 49 -12.204 3.032 4.358 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.633 1.550 3.350 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.774 1.540 2.300 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -13.050 0.469 1.758 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.316 1.673 1.047 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.480 3.606 1.188 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.138 3.416 -0.513 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.303 5.348 -0.377 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.385 5.285 -2.314 1.00 0.25 H new ATOM 769 N SER A 50 -13.743 0.448 5.612 1.00 0.17 N ATOM 770 CA SER A 50 -13.366 -0.560 6.625 1.00 0.18 C ATOM 771 C SER A 50 -13.590 -1.956 6.043 1.00 0.19 C ATOM 772 O SER A 50 -13.191 -2.949 6.615 1.00 0.21 O ATOM 773 CB SER A 50 -14.215 -0.348 7.879 1.00 0.20 C ATOM 774 OG SER A 50 -15.552 -0.753 7.621 1.00 0.22 O ATOM 0 H SER A 50 -14.526 1.047 5.873 1.00 0.17 H new ATOM 0 HA SER A 50 -12.315 -0.459 6.895 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.804 -0.921 8.710 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.192 0.701 8.173 1.00 0.20 H new ATOM 0 HG SER A 50 -16.095 -0.619 8.425 1.00 0.22 H new ATOM 780 N ASN A 51 -14.208 -2.037 4.890 1.00 0.20 N ATOM 781 CA ASN A 51 -14.438 -3.370 4.258 1.00 0.23 C ATOM 782 C ASN A 51 -13.253 -3.688 3.343 1.00 0.19 C ATOM 783 O ASN A 51 -13.260 -4.654 2.605 1.00 0.22 O ATOM 784 CB ASN A 51 -15.727 -3.336 3.430 1.00 0.32 C ATOM 785 CG ASN A 51 -16.117 -4.761 3.027 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.516 -5.552 3.859 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.020 -5.126 1.778 1.00 0.27 N ATOM 0 H ASN A 51 -14.562 -1.239 4.362 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.532 -4.134 5.030 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.530 -2.878 4.007 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.584 -2.722 2.541 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.279 -6.073 1.502 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.685 -4.464 1.078 1.00 0.27 H new ATOM 794 N VAL A 52 -12.222 -2.883 3.413 1.00 0.21 N ATOM 795 CA VAL A 52 -10.998 -3.106 2.588 1.00 0.17 C ATOM 796 C VAL A 52 -9.796 -3.109 3.532 1.00 0.13 C ATOM 797 O VAL A 52 -9.788 -2.403 4.520 1.00 0.14 O ATOM 798 CB VAL A 52 -10.860 -1.980 1.555 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.458 -2.017 0.916 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.928 -2.167 0.472 1.00 0.24 C ATOM 0 H VAL A 52 -12.178 -2.065 4.020 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.059 -4.054 2.053 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.995 -1.016 2.046 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.370 -1.214 0.184 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.702 -1.887 1.690 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.309 -2.977 0.421 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.839 -1.372 -0.268 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.788 -3.132 -0.014 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.918 -2.130 0.927 1.00 0.24 H new ATOM 810 N ILE A 53 -8.795 -3.909 3.267 1.00 0.11 N ATOM 811 CA ILE A 53 -7.617 -3.954 4.194 1.00 0.09 C ATOM 812 C ILE A 53 -6.478 -3.102 3.616 1.00 0.09 C ATOM 813 O ILE A 53 -6.035 -3.322 2.504 1.00 0.12 O ATOM 814 CB ILE A 53 -7.151 -5.405 4.327 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.362 -6.302 4.636 1.00 0.13 C ATOM 816 CG2 ILE A 53 -6.124 -5.518 5.464 1.00 0.13 C ATOM 817 CD1 ILE A 53 -9.124 -5.780 5.860 1.00 0.15 C ATOM 0 H ILE A 53 -8.739 -4.528 2.458 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.898 -3.562 5.172 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.688 -5.724 3.393 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -9.027 -6.333 3.773 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -8.028 -7.323 4.818 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.795 -6.553 5.555 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.266 -4.882 5.244 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.581 -5.199 6.400 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.977 -6.428 6.062 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.461 -5.773 6.725 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.477 -4.767 5.664 1.00 0.15 H new ATOM 829 N PHE A 54 -5.998 -2.135 4.366 1.00 0.08 N ATOM 830 CA PHE A 54 -4.878 -1.260 3.870 1.00 0.09 C ATOM 831 C PHE A 54 -3.568 -1.656 4.561 1.00 0.09 C ATOM 832 O PHE A 54 -3.482 -1.668 5.774 1.00 0.12 O ATOM 833 CB PHE A 54 -5.170 0.203 4.223 1.00 0.10 C ATOM 834 CG PHE A 54 -6.362 0.715 3.447 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.650 0.310 3.806 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.180 1.614 2.386 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.759 0.803 3.105 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.291 2.102 1.682 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.579 1.696 2.044 1.00 0.10 C ATOM 0 H PHE A 54 -6.333 -1.912 5.303 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.793 -1.383 2.790 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.361 0.293 5.292 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.296 0.816 4.003 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.791 -0.382 4.623 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.185 1.931 2.111 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.755 0.493 3.385 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.152 2.790 0.862 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.435 2.072 1.504 1.00 0.10 H new ATOM 849 N LEU A 55 -2.538 -1.961 3.804 1.00 0.09 N ATOM 850 CA LEU A 55 -1.220 -2.342 4.418 1.00 0.11 C ATOM 851 C LEU A 55 -0.210 -1.230 4.166 1.00 0.10 C ATOM 852 O LEU A 55 -0.176 -0.637 3.106 1.00 0.10 O ATOM 853 CB LEU A 55 -0.656 -3.640 3.790 1.00 0.12 C ATOM 854 CG LEU A 55 -1.420 -4.889 4.261 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.931 -4.688 4.153 1.00 0.20 C ATOM 856 CD2 LEU A 55 -1.004 -6.085 3.401 1.00 0.22 C ATOM 0 H LEU A 55 -2.552 -1.963 2.784 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.384 -2.500 5.484 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.711 -3.570 2.704 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.398 -3.740 4.050 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.174 -5.070 5.307 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.443 -5.588 4.493 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.231 -3.843 4.773 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.198 -4.489 3.115 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.542 -6.974 3.730 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.242 -5.882 2.357 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.068 -6.251 3.503 1.00 0.22 H new ATOM 868 N GLU A 56 0.636 -0.974 5.129 1.00 0.12 N ATOM 869 CA GLU A 56 1.692 0.068 4.966 1.00 0.13 C ATOM 870 C GLU A 56 3.024 -0.662 4.877 1.00 0.13 C ATOM 871 O GLU A 56 3.298 -1.547 5.662 1.00 0.14 O ATOM 872 CB GLU A 56 1.696 1.007 6.174 1.00 0.15 C ATOM 873 CG GLU A 56 2.616 2.197 5.886 1.00 0.17 C ATOM 874 CD GLU A 56 2.775 3.036 7.157 1.00 0.20 C ATOM 875 OE1 GLU A 56 2.224 2.645 8.172 1.00 1.13 O ATOM 876 OE2 GLU A 56 3.446 4.054 7.096 1.00 1.05 O ATOM 0 H GLU A 56 0.640 -1.448 6.032 1.00 0.12 H new ATOM 0 HA GLU A 56 1.511 0.667 4.074 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.684 1.356 6.381 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.038 0.475 7.062 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.590 1.844 5.546 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.200 2.807 5.084 1.00 0.17 H new ATOM 883 N VAL A 57 3.842 -0.333 3.910 1.00 0.12 N ATOM 884 CA VAL A 57 5.150 -1.048 3.751 1.00 0.12 C ATOM 885 C VAL A 57 6.308 -0.043 3.663 1.00 0.11 C ATOM 886 O VAL A 57 6.220 0.973 3.004 1.00 0.13 O ATOM 887 CB VAL A 57 5.086 -1.885 2.472 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.365 -2.706 2.326 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.880 -2.823 2.551 1.00 0.14 C ATOM 0 H VAL A 57 3.663 0.399 3.223 1.00 0.12 H new ATOM 0 HA VAL A 57 5.326 -1.689 4.615 1.00 0.12 H new ATOM 0 HB VAL A 57 4.987 -1.227 1.609 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.314 -3.300 1.414 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.223 -2.036 2.275 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.472 -3.369 3.185 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.826 -3.424 1.643 1.00 0.14 H new ATOM 0 HG22 VAL A 57 3.986 -3.479 3.415 1.00 0.14 H new ATOM 0 HG23 VAL A 57 2.968 -2.235 2.651 1.00 0.14 H new ATOM 899 N ASP A 58 7.397 -0.335 4.331 1.00 0.10 N ATOM 900 CA ASP A 58 8.589 0.569 4.310 1.00 0.09 C ATOM 901 C ASP A 58 9.615 0.012 3.326 1.00 0.09 C ATOM 902 O ASP A 58 10.126 -1.071 3.506 1.00 0.09 O ATOM 903 CB ASP A 58 9.211 0.593 5.705 1.00 0.10 C ATOM 904 CG ASP A 58 10.275 1.693 5.779 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.538 2.308 4.757 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.809 1.902 6.855 1.00 1.05 O ATOM 0 H ASP A 58 7.512 -1.175 4.899 1.00 0.10 H new ATOM 0 HA ASP A 58 8.291 1.574 4.012 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.439 0.769 6.454 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.659 -0.375 5.930 1.00 0.10 H new ATOM 911 N VAL A 59 9.956 0.738 2.304 1.00 0.09 N ATOM 912 CA VAL A 59 10.971 0.198 1.358 1.00 0.10 C ATOM 913 C VAL A 59 12.306 0.138 2.080 1.00 0.11 C ATOM 914 O VAL A 59 13.223 -0.523 1.649 1.00 0.12 O ATOM 915 CB VAL A 59 11.100 1.110 0.138 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.751 1.207 -0.577 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.556 2.504 0.588 1.00 0.16 C ATOM 0 H VAL A 59 9.587 1.663 2.083 1.00 0.09 H new ATOM 0 HA VAL A 59 10.668 -0.793 1.021 1.00 0.10 H new ATOM 0 HB VAL A 59 11.837 0.696 -0.550 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.846 1.858 -1.446 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.438 0.214 -0.900 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.007 1.618 0.105 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.648 3.155 -0.281 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.823 2.922 1.278 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.522 2.427 1.088 1.00 0.16 H new ATOM 927 N ASP A 60 12.433 0.847 3.171 1.00 0.10 N ATOM 928 CA ASP A 60 13.722 0.838 3.921 1.00 0.12 C ATOM 929 C ASP A 60 13.749 -0.277 4.980 1.00 0.13 C ATOM 930 O ASP A 60 14.742 -0.960 5.127 1.00 0.15 O ATOM 931 CB ASP A 60 13.918 2.207 4.579 1.00 0.14 C ATOM 932 CG ASP A 60 14.439 3.205 3.540 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.662 3.616 2.695 1.00 1.08 O ATOM 934 OD2 ASP A 60 15.612 3.537 3.607 1.00 1.07 O ATOM 0 H ASP A 60 11.700 1.431 3.574 1.00 0.10 H new ATOM 0 HA ASP A 60 14.536 0.640 3.224 1.00 0.12 H new ATOM 0 HB2 ASP A 60 12.975 2.560 4.996 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.623 2.127 5.407 1.00 0.14 H new ATOM 939 N ASP A 61 12.682 -0.482 5.714 1.00 0.13 N ATOM 940 CA ASP A 61 12.685 -1.569 6.755 1.00 0.15 C ATOM 941 C ASP A 61 12.017 -2.818 6.182 1.00 0.14 C ATOM 942 O ASP A 61 12.241 -3.923 6.635 1.00 0.19 O ATOM 943 CB ASP A 61 11.923 -1.099 7.995 1.00 0.16 C ATOM 944 CG ASP A 61 12.603 0.149 8.559 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.632 0.528 8.027 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.080 0.704 9.511 1.00 1.01 O ATOM 0 H ASP A 61 11.814 0.049 5.642 1.00 0.13 H new ATOM 0 HA ASP A 61 13.712 -1.801 7.035 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.887 -0.879 7.738 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.904 -1.889 8.746 1.00 0.16 H new ATOM 951 N ALA A 62 11.203 -2.639 5.176 1.00 0.11 N ATOM 952 CA ALA A 62 10.510 -3.791 4.525 1.00 0.12 C ATOM 953 C ALA A 62 11.017 -3.868 3.092 1.00 0.11 C ATOM 954 O ALA A 62 10.283 -4.132 2.161 1.00 0.12 O ATOM 955 CB ALA A 62 8.992 -3.575 4.539 1.00 0.14 C ATOM 0 H ALA A 62 10.985 -1.729 4.771 1.00 0.11 H new ATOM 0 HA ALA A 62 10.718 -4.718 5.059 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.500 -4.422 4.061 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.646 -3.488 5.569 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.749 -2.661 3.996 1.00 0.14 H new ATOM 961 N GLN A 63 12.282 -3.613 2.924 1.00 0.11 N ATOM 962 CA GLN A 63 12.890 -3.637 1.573 1.00 0.12 C ATOM 963 C GLN A 63 12.732 -5.032 0.962 1.00 0.12 C ATOM 964 O GLN A 63 12.804 -5.205 -0.235 1.00 0.14 O ATOM 965 CB GLN A 63 14.373 -3.254 1.685 1.00 0.13 C ATOM 966 CG GLN A 63 15.159 -4.350 2.406 1.00 0.15 C ATOM 967 CD GLN A 63 14.614 -4.518 3.823 1.00 0.77 C ATOM 968 OE1 GLN A 63 14.886 -3.712 4.689 1.00 1.47 O ATOM 969 NE2 GLN A 63 13.846 -5.536 4.095 1.00 1.43 N ATOM 0 H GLN A 63 12.928 -3.386 3.680 1.00 0.11 H new ATOM 0 HA GLN A 63 12.388 -2.920 0.923 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.789 -3.095 0.690 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.471 -2.313 2.226 1.00 0.13 H new ATOM 0 HG2 GLN A 63 15.078 -5.290 1.860 1.00 0.15 H new ATOM 0 HG3 GLN A 63 16.217 -4.091 2.440 1.00 0.15 H new ATOM 0 HE21 GLN A 63 13.618 -6.212 3.366 1.00 1.43 H new ATOM 0 HE22 GLN A 63 13.473 -5.656 5.037 1.00 1.43 H new ATOM 978 N ASP A 64 12.512 -6.030 1.772 1.00 0.13 N ATOM 979 CA ASP A 64 12.345 -7.401 1.228 1.00 0.13 C ATOM 980 C ASP A 64 11.097 -7.437 0.351 1.00 0.15 C ATOM 981 O ASP A 64 11.070 -8.078 -0.680 1.00 0.16 O ATOM 982 CB ASP A 64 12.201 -8.396 2.385 1.00 0.17 C ATOM 983 CG ASP A 64 11.146 -7.898 3.368 1.00 0.21 C ATOM 984 OD1 ASP A 64 9.989 -7.883 2.999 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.513 -7.550 4.477 1.00 1.02 O ATOM 0 H ASP A 64 12.441 -5.953 2.787 1.00 0.13 H new ATOM 0 HA ASP A 64 13.216 -7.674 0.632 1.00 0.13 H new ATOM 0 HB2 ASP A 64 11.919 -9.376 2.001 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.157 -8.516 2.894 1.00 0.17 H new ATOM 990 N VAL A 65 10.067 -6.745 0.745 1.00 0.17 N ATOM 991 CA VAL A 65 8.827 -6.736 -0.075 1.00 0.22 C ATOM 992 C VAL A 65 9.041 -5.867 -1.317 1.00 0.22 C ATOM 993 O VAL A 65 8.634 -6.208 -2.409 1.00 0.26 O ATOM 994 CB VAL A 65 7.676 -6.136 0.741 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.357 -6.371 -0.002 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.618 -6.791 2.127 1.00 0.32 C ATOM 0 H VAL A 65 10.030 -6.186 1.598 1.00 0.17 H new ATOM 0 HA VAL A 65 8.588 -7.758 -0.367 1.00 0.22 H new ATOM 0 HB VAL A 65 7.839 -5.066 0.866 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.535 -5.946 0.574 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.400 -5.892 -0.980 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.196 -7.442 -0.129 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.798 -6.359 2.700 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.458 -7.863 2.016 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.558 -6.617 2.651 1.00 0.32 H new ATOM 1006 N ALA A 66 9.650 -4.725 -1.142 1.00 0.19 N ATOM 1007 CA ALA A 66 9.866 -3.807 -2.294 1.00 0.22 C ATOM 1008 C ALA A 66 10.891 -4.388 -3.275 1.00 0.23 C ATOM 1009 O ALA A 66 10.741 -4.271 -4.476 1.00 0.26 O ATOM 1010 CB ALA A 66 10.347 -2.443 -1.771 1.00 0.25 C ATOM 0 H ALA A 66 10.008 -4.389 -0.248 1.00 0.19 H new ATOM 0 HA ALA A 66 8.924 -3.685 -2.828 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.507 -1.767 -2.611 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.594 -2.022 -1.105 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.282 -2.572 -1.226 1.00 0.25 H new ATOM 1016 N SER A 67 11.932 -5.001 -2.787 1.00 0.21 N ATOM 1017 CA SER A 67 12.949 -5.567 -3.721 1.00 0.23 C ATOM 1018 C SER A 67 12.296 -6.649 -4.577 1.00 0.23 C ATOM 1019 O SER A 67 12.604 -6.810 -5.743 1.00 0.24 O ATOM 1020 CB SER A 67 14.100 -6.178 -2.923 1.00 0.23 C ATOM 1021 OG SER A 67 13.621 -7.299 -2.190 1.00 0.22 O ATOM 0 H SER A 67 12.124 -5.135 -1.794 1.00 0.21 H new ATOM 0 HA SER A 67 13.336 -4.773 -4.360 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.902 -6.484 -3.595 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.520 -5.437 -2.243 1.00 0.23 H new ATOM 0 HG SER A 67 13.134 -6.988 -1.398 1.00 0.22 H new ATOM 1027 N GLU A 68 11.390 -7.386 -4.006 1.00 0.23 N ATOM 1028 CA GLU A 68 10.699 -8.457 -4.769 1.00 0.25 C ATOM 1029 C GLU A 68 9.891 -7.833 -5.913 1.00 0.22 C ATOM 1030 O GLU A 68 9.800 -8.383 -6.994 1.00 0.24 O ATOM 1031 CB GLU A 68 9.761 -9.219 -3.826 1.00 0.29 C ATOM 1032 CG GLU A 68 9.142 -10.411 -4.559 1.00 0.32 C ATOM 1033 CD GLU A 68 8.096 -11.071 -3.661 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.223 -10.364 -3.183 1.00 1.96 O ATOM 1035 OE2 GLU A 68 8.181 -12.272 -3.470 1.00 2.06 O ATOM 0 H GLU A 68 11.096 -7.291 -3.034 1.00 0.23 H new ATOM 0 HA GLU A 68 11.434 -9.145 -5.186 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.312 -9.565 -2.952 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.976 -8.555 -3.465 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.682 -10.080 -5.490 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.916 -11.131 -4.824 1.00 0.32 H new ATOM 1042 N ALA A 69 9.280 -6.703 -5.673 1.00 0.20 N ATOM 1043 CA ALA A 69 8.451 -6.050 -6.732 1.00 0.20 C ATOM 1044 C ALA A 69 9.301 -5.133 -7.617 1.00 0.19 C ATOM 1045 O ALA A 69 8.794 -4.514 -8.531 1.00 0.20 O ATOM 1046 CB ALA A 69 7.346 -5.225 -6.071 1.00 0.23 C ATOM 0 H ALA A 69 9.319 -6.201 -4.786 1.00 0.20 H new ATOM 0 HA ALA A 69 8.020 -6.831 -7.359 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.739 -4.747 -6.840 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.717 -5.878 -5.466 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.793 -4.461 -5.435 1.00 0.23 H new ATOM 1052 N GLU A 70 10.578 -5.026 -7.362 1.00 0.18 N ATOM 1053 CA GLU A 70 11.432 -4.135 -8.210 1.00 0.18 C ATOM 1054 C GLU A 70 10.859 -2.722 -8.242 1.00 0.17 C ATOM 1055 O GLU A 70 10.682 -2.140 -9.294 1.00 0.18 O ATOM 1056 CB GLU A 70 11.528 -4.668 -9.644 1.00 0.22 C ATOM 1057 CG GLU A 70 12.348 -5.955 -9.668 1.00 0.24 C ATOM 1058 CD GLU A 70 11.523 -7.110 -9.096 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.307 -7.022 -9.136 1.00 2.02 O ATOM 1060 OE2 GLU A 70 12.123 -8.064 -8.628 1.00 2.02 O ATOM 0 H GLU A 70 11.066 -5.512 -6.610 1.00 0.18 H new ATOM 0 HA GLU A 70 12.429 -4.117 -7.770 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.529 -4.856 -10.039 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.990 -3.920 -10.289 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.651 -6.184 -10.690 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.261 -5.826 -9.086 1.00 0.24 H new ATOM 1067 N VAL A 71 10.564 -2.158 -7.108 1.00 0.15 N ATOM 1068 CA VAL A 71 9.995 -0.784 -7.109 1.00 0.14 C ATOM 1069 C VAL A 71 11.045 0.192 -7.638 1.00 0.14 C ATOM 1070 O VAL A 71 12.195 0.163 -7.242 1.00 0.16 O ATOM 1071 CB VAL A 71 9.617 -0.384 -5.686 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.880 0.956 -5.729 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.703 -1.456 -5.086 1.00 0.15 C ATOM 0 H VAL A 71 10.690 -2.582 -6.189 1.00 0.15 H new ATOM 0 HA VAL A 71 9.108 -0.759 -7.742 1.00 0.14 H new ATOM 0 HB VAL A 71 10.513 -0.291 -5.072 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.605 1.252 -4.717 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.530 1.715 -6.165 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.980 0.857 -6.336 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.430 -1.174 -4.069 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.801 -1.546 -5.692 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.226 -2.412 -5.070 1.00 0.15 H new ATOM 1083 N LYS A 72 10.656 1.043 -8.554 1.00 0.15 N ATOM 1084 CA LYS A 72 11.616 2.018 -9.144 1.00 0.16 C ATOM 1085 C LYS A 72 11.390 3.423 -8.562 1.00 0.15 C ATOM 1086 O LYS A 72 12.200 4.308 -8.743 1.00 0.16 O ATOM 1087 CB LYS A 72 11.410 2.049 -10.663 1.00 0.19 C ATOM 1088 CG LYS A 72 11.665 0.650 -11.264 1.00 0.23 C ATOM 1089 CD LYS A 72 13.170 0.347 -11.302 1.00 0.74 C ATOM 1090 CE LYS A 72 13.422 -0.862 -12.207 1.00 0.88 C ATOM 1091 NZ LYS A 72 12.688 -2.043 -11.673 1.00 1.60 N ATOM 0 H LYS A 72 9.706 1.102 -8.920 1.00 0.15 H new ATOM 0 HA LYS A 72 12.634 1.710 -8.906 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.395 2.372 -10.893 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.086 2.775 -11.114 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.151 -0.106 -10.671 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.252 0.600 -12.272 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.717 1.213 -11.673 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.537 0.145 -10.296 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.092 -0.644 -13.223 1.00 0.88 H new ATOM 0 HE3 LYS A 72 14.490 -1.076 -12.257 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 13.311 -2.875 -11.689 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 12.389 -1.853 -10.695 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 11.850 -2.226 -12.262 1.00 1.60 H new ATOM 1105 N ALA A 73 10.305 3.640 -7.863 1.00 0.13 N ATOM 1106 CA ALA A 73 10.067 4.996 -7.282 1.00 0.13 C ATOM 1107 C ALA A 73 8.981 4.929 -6.195 1.00 0.11 C ATOM 1108 O ALA A 73 8.129 4.066 -6.206 1.00 0.12 O ATOM 1109 CB ALA A 73 9.643 5.957 -8.412 1.00 0.14 C ATOM 0 H ALA A 73 9.582 2.947 -7.671 1.00 0.13 H new ATOM 0 HA ALA A 73 10.984 5.362 -6.820 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.467 6.950 -7.998 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.434 6.011 -9.160 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.728 5.590 -8.877 1.00 0.14 H new ATOM 1115 N THR A 74 8.999 5.863 -5.272 1.00 0.11 N ATOM 1116 CA THR A 74 7.971 5.906 -4.183 1.00 0.11 C ATOM 1117 C THR A 74 7.350 7.313 -4.185 1.00 0.12 C ATOM 1118 O THR A 74 7.990 8.244 -4.611 1.00 0.15 O ATOM 1119 CB THR A 74 8.677 5.655 -2.840 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.475 6.778 -2.518 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.561 4.420 -2.947 1.00 0.14 C ATOM 0 H THR A 74 9.694 6.608 -5.227 1.00 0.11 H new ATOM 0 HA THR A 74 7.198 5.152 -4.334 1.00 0.11 H new ATOM 0 HB THR A 74 7.931 5.496 -2.061 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.926 6.624 -1.662 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.059 4.246 -1.993 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.948 3.555 -3.200 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.309 4.574 -3.725 1.00 0.14 H new ATOM 1129 N PRO A 75 6.143 7.500 -3.692 1.00 0.13 N ATOM 1130 CA PRO A 75 5.296 6.406 -3.148 1.00 0.10 C ATOM 1131 C PRO A 75 4.670 5.548 -4.247 1.00 0.09 C ATOM 1132 O PRO A 75 4.272 6.036 -5.286 1.00 0.10 O ATOM 1133 CB PRO A 75 4.225 7.191 -2.368 1.00 0.12 C ATOM 1134 CG PRO A 75 4.212 8.626 -2.918 1.00 0.15 C ATOM 1135 CD PRO A 75 5.541 8.862 -3.656 1.00 0.16 C ATOM 0 HA PRO A 75 5.855 5.691 -2.544 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.246 6.726 -2.487 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.450 7.191 -1.302 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.369 8.767 -3.595 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.093 9.344 -2.107 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.382 9.261 -4.658 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.177 9.572 -3.127 1.00 0.16 H new ATOM 1143 N THR A 76 4.556 4.273 -3.999 1.00 0.09 N ATOM 1144 CA THR A 76 3.929 3.350 -4.987 1.00 0.09 C ATOM 1145 C THR A 76 2.860 2.539 -4.278 1.00 0.10 C ATOM 1146 O THR A 76 3.064 2.033 -3.191 1.00 0.12 O ATOM 1147 CB THR A 76 4.983 2.415 -5.583 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.979 3.187 -6.233 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.317 1.470 -6.585 1.00 0.13 C ATOM 0 H THR A 76 4.876 3.825 -3.140 1.00 0.09 H new ATOM 0 HA THR A 76 3.485 3.927 -5.798 1.00 0.09 H new ATOM 0 HB THR A 76 5.445 1.826 -4.791 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.728 3.338 -5.619 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.067 0.803 -7.010 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.554 0.880 -6.077 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.855 2.052 -7.382 1.00 0.13 H new ATOM 1157 N PHE A 77 1.715 2.434 -4.881 1.00 0.10 N ATOM 1158 CA PHE A 77 0.594 1.672 -4.262 1.00 0.10 C ATOM 1159 C PHE A 77 0.316 0.434 -5.118 1.00 0.10 C ATOM 1160 O PHE A 77 0.188 0.521 -6.325 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.644 2.574 -4.232 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.339 3.828 -3.436 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.525 3.857 -2.044 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.125 4.972 -4.101 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.249 5.031 -1.324 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.403 6.142 -3.379 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.215 6.172 -1.991 1.00 0.19 C ATOM 0 H PHE A 77 1.502 2.848 -5.789 1.00 0.10 H new ATOM 0 HA PHE A 77 0.846 1.363 -3.248 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.939 2.838 -5.248 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.484 2.042 -3.785 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.880 2.977 -1.528 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.269 4.952 -5.171 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.395 5.054 -0.254 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.762 7.021 -3.894 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.428 7.074 -1.436 1.00 0.19 H new ATOM 1177 N GLN A 78 0.213 -0.720 -4.504 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.064 -1.975 -5.271 1.00 0.09 C ATOM 1179 C GLN A 78 -1.330 -2.609 -4.725 1.00 0.08 C ATOM 1180 O GLN A 78 -1.588 -2.588 -3.538 1.00 0.09 O ATOM 1181 CB GLN A 78 1.109 -2.951 -5.122 1.00 0.09 C ATOM 1182 CG GLN A 78 2.322 -2.410 -5.884 1.00 0.12 C ATOM 1183 CD GLN A 78 3.427 -3.470 -5.912 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.160 -4.649 -5.786 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.667 -3.099 -6.078 1.00 0.29 N ATOM 0 H GLN A 78 0.310 -0.847 -3.497 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.190 -1.740 -6.328 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.356 -3.081 -4.068 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.831 -3.932 -5.508 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.035 -2.142 -6.901 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.688 -1.501 -5.406 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.894 -2.110 -6.184 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.410 -3.798 -6.102 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.136 -3.157 -5.592 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.419 -3.782 -5.152 1.00 0.07 C ATOM 1196 C PHE A 79 -3.335 -5.301 -5.246 1.00 0.07 C ATOM 1197 O PHE A 79 -2.912 -5.849 -6.244 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.533 -3.264 -6.054 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.660 -1.778 -5.825 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.750 -0.894 -6.421 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.667 -1.285 -4.992 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.856 0.480 -6.186 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.768 0.086 -4.754 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.865 0.969 -5.350 1.00 0.12 C ATOM 0 H PHE A 79 -1.960 -3.200 -6.596 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.620 -3.521 -4.113 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.305 -3.471 -7.100 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.473 -3.767 -5.827 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.968 -1.274 -7.061 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.368 -1.966 -4.532 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.160 1.163 -6.649 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.546 0.465 -4.108 1.00 0.14 H new ATOM 0 HZ PHE A 79 -4.946 2.030 -5.165 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.753 -5.983 -4.205 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.725 -7.478 -4.194 1.00 0.08 C ATOM 1216 C PHE A 80 -5.118 -8.011 -3.874 1.00 0.09 C ATOM 1217 O PHE A 80 -5.873 -7.406 -3.141 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.727 -7.974 -3.145 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.316 -7.732 -3.629 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.670 -6.512 -3.367 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.644 -8.744 -4.331 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.642 -6.310 -3.810 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.670 -8.538 -4.771 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.312 -7.321 -4.511 1.00 0.15 C ATOM 0 H PHE A 80 -4.117 -5.559 -3.352 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.416 -7.839 -5.175 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.891 -7.457 -2.200 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.880 -9.037 -2.957 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.185 -5.732 -2.825 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.140 -9.682 -4.532 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.139 -5.372 -3.611 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.188 -9.317 -5.310 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.325 -7.162 -4.851 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.468 -9.145 -4.424 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.818 -9.718 -4.160 1.00 0.12 C ATOM 1236 C LYS A 81 -6.728 -11.243 -4.198 1.00 0.11 C ATOM 1237 O LYS A 81 -6.261 -11.813 -5.155 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.764 -9.229 -5.250 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.202 -9.568 -4.867 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.134 -9.265 -6.044 1.00 0.73 C ATOM 1241 CE LYS A 81 -10.306 -7.751 -6.208 1.00 1.02 C ATOM 1242 NZ LYS A 81 -11.442 -7.486 -7.132 1.00 1.68 N ATOM 0 H LYS A 81 -4.876 -9.698 -5.044 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.185 -9.406 -3.182 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.656 -8.153 -5.384 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.511 -9.695 -6.202 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.277 -10.620 -4.592 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.502 -8.989 -3.994 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.726 -9.693 -6.960 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -11.105 -9.733 -5.878 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -10.493 -7.287 -5.240 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -9.391 -7.309 -6.602 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -11.954 -6.636 -6.819 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.079 -7.336 -8.095 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.089 -8.300 -7.129 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.143 -11.903 -3.147 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.061 -13.395 -3.111 1.00 0.13 C ATOM 1258 C LYS A 82 -5.596 -13.783 -3.273 1.00 0.13 C ATOM 1259 O LYS A 82 -5.271 -14.830 -3.798 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.895 -14.038 -4.235 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.387 -13.761 -4.016 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.147 -13.956 -5.335 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.647 -13.755 -5.106 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.183 -14.873 -4.279 1.00 1.22 N ATOM 0 H LYS A 82 -7.536 -11.472 -2.310 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.463 -13.754 -2.164 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.583 -13.642 -5.201 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.718 -15.113 -4.259 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.783 -14.432 -3.254 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.528 -12.744 -3.650 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.786 -13.248 -6.081 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -9.961 -14.956 -5.728 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -11.824 -12.803 -4.606 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -12.169 -13.715 -6.062 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.221 -14.879 -4.335 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -11.812 -15.777 -4.635 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -11.890 -14.744 -3.289 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.709 -12.934 -2.835 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.259 -13.227 -2.972 1.00 0.16 C ATOM 1280 C GLY A 83 -2.823 -12.993 -4.419 1.00 0.16 C ATOM 1281 O GLY A 83 -1.812 -13.505 -4.854 1.00 0.23 O ATOM 0 H GLY A 83 -4.929 -12.045 -2.386 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.684 -12.589 -2.301 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.057 -14.258 -2.683 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.582 -12.220 -5.171 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.217 -11.948 -6.605 1.00 0.15 C ATOM 1287 C GLN A 84 -3.111 -10.440 -6.868 1.00 0.12 C ATOM 1288 O GLN A 84 -3.944 -9.672 -6.453 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.288 -12.535 -7.537 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.252 -14.067 -7.499 1.00 0.33 C ATOM 1291 CD GLN A 84 -2.966 -14.563 -8.158 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.676 -15.743 -8.148 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.174 -13.701 -8.733 1.00 2.07 N ATOM 0 H GLN A 84 -4.438 -11.766 -4.853 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.251 -12.414 -6.799 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.274 -12.181 -7.236 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.122 -12.187 -8.556 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.303 -14.417 -6.468 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.120 -14.475 -8.018 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.418 -12.711 -8.741 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.311 -14.017 -9.175 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.103 -10.019 -7.592 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.946 -8.562 -7.910 1.00 0.12 C ATOM 1304 C LYS A 85 -2.904 -8.198 -9.044 1.00 0.14 C ATOM 1305 O LYS A 85 -2.901 -8.819 -10.089 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.502 -8.307 -8.350 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.275 -6.809 -8.584 1.00 0.20 C ATOM 1308 CD LYS A 85 1.120 -6.604 -9.177 1.00 0.28 C ATOM 1309 CE LYS A 85 1.440 -5.111 -9.262 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.816 -4.931 -9.806 1.00 1.82 N ATOM 0 H LYS A 85 -1.378 -10.623 -7.979 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.173 -7.954 -7.034 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.187 -8.672 -7.589 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.290 -8.861 -9.264 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.033 -6.414 -9.260 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.369 -6.263 -7.646 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.864 -7.109 -8.560 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.171 -7.052 -10.169 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.715 -4.608 -9.902 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.364 -4.655 -8.275 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 3.036 -3.916 -9.865 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.501 -5.398 -9.178 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 2.872 -5.353 -10.755 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.736 -7.203 -8.834 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.718 -6.788 -9.885 1.00 0.18 C ATOM 1326 C VAL A 86 -4.563 -5.296 -10.214 1.00 0.17 C ATOM 1327 O VAL A 86 -5.417 -4.711 -10.852 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.144 -7.069 -9.389 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.376 -8.586 -9.300 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.338 -6.448 -8.001 1.00 0.26 C ATOM 0 H VAL A 86 -3.776 -6.658 -7.973 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.526 -7.360 -10.793 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.856 -6.633 -10.089 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.389 -8.779 -8.948 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.243 -9.033 -10.285 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.660 -9.023 -8.604 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.351 -6.649 -7.651 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.621 -6.882 -7.305 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.181 -5.371 -8.059 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.492 -4.667 -9.799 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.331 -3.213 -10.127 1.00 0.17 C ATOM 1342 C GLY A 87 -2.049 -2.645 -9.502 1.00 0.12 C ATOM 1343 O GLY A 87 -1.530 -3.166 -8.536 1.00 0.17 O ATOM 0 H GLY A 87 -2.735 -5.085 -9.258 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.301 -3.082 -11.209 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.195 -2.657 -9.762 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.551 -1.564 -10.054 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.314 -0.923 -9.511 1.00 0.13 C ATOM 1349 C GLU A 88 -0.184 0.477 -10.118 1.00 0.11 C ATOM 1350 O GLU A 88 -0.563 0.710 -11.249 1.00 0.14 O ATOM 1351 CB GLU A 88 0.914 -1.811 -9.864 1.00 0.21 C ATOM 1352 CG GLU A 88 2.193 -0.990 -10.134 1.00 0.58 C ATOM 1353 CD GLU A 88 2.530 -0.105 -8.936 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.774 -0.111 -7.982 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.544 0.569 -9.000 1.00 1.93 O ATOM 0 H GLU A 88 -1.954 -1.095 -10.865 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.365 -0.829 -8.426 1.00 0.13 H new ATOM 0 HB2 GLU A 88 1.101 -2.506 -9.045 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.681 -2.411 -10.744 1.00 0.21 H new ATOM 0 HG2 GLU A 88 3.026 -1.662 -10.341 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.054 -0.372 -11.021 1.00 0.58 H new ATOM 1362 N PHE A 89 0.378 1.400 -9.390 1.00 0.10 N ATOM 1363 CA PHE A 89 0.569 2.772 -9.948 1.00 0.09 C ATOM 1364 C PHE A 89 1.496 3.577 -9.035 1.00 0.10 C ATOM 1365 O PHE A 89 1.655 3.274 -7.868 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.792 3.468 -10.134 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.332 4.041 -8.835 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.783 5.212 -8.295 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.411 3.419 -8.191 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.312 5.761 -7.119 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.935 3.964 -7.012 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.389 5.138 -6.477 1.00 0.14 C ATOM 0 H PHE A 89 0.713 1.267 -8.436 1.00 0.10 H new ATOM 0 HA PHE A 89 1.038 2.703 -10.930 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.690 4.269 -10.867 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.510 2.754 -10.539 1.00 0.11 H new ATOM 0 HD1 PHE A 89 0.050 5.693 -8.786 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.839 2.518 -8.605 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.889 6.665 -6.708 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.761 3.478 -6.514 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.798 5.561 -5.572 1.00 0.14 H new ATOM 1382 N SER A 90 2.122 4.598 -9.570 1.00 0.10 N ATOM 1383 CA SER A 90 3.065 5.446 -8.770 1.00 0.10 C ATOM 1384 C SER A 90 2.671 6.910 -8.881 1.00 0.09 C ATOM 1385 O SER A 90 1.982 7.309 -9.799 1.00 0.11 O ATOM 1386 CB SER A 90 4.490 5.304 -9.306 1.00 0.11 C ATOM 1387 OG SER A 90 4.520 5.708 -10.670 1.00 0.12 O ATOM 0 H SER A 90 2.018 4.885 -10.543 1.00 0.10 H new ATOM 0 HA SER A 90 3.017 5.116 -7.732 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.175 5.915 -8.718 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.825 4.271 -9.213 1.00 0.11 H new ATOM 0 HG SER A 90 5.432 5.620 -11.017 1.00 0.12 H new ATOM 1393 N GLY A 91 3.117 7.716 -7.952 1.00 0.09 N ATOM 1394 CA GLY A 91 2.801 9.176 -7.990 1.00 0.09 C ATOM 1395 C GLY A 91 2.083 9.583 -6.707 1.00 0.10 C ATOM 1396 O GLY A 91 1.289 8.842 -6.162 1.00 0.12 O ATOM 0 H GLY A 91 3.692 7.423 -7.162 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.719 9.753 -8.103 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.176 9.400 -8.854 1.00 0.09 H new ATOM 1400 N ALA A 92 2.353 10.759 -6.218 1.00 0.11 N ATOM 1401 CA ALA A 92 1.686 11.210 -4.970 1.00 0.14 C ATOM 1402 C ALA A 92 0.252 11.664 -5.281 1.00 0.13 C ATOM 1403 O ALA A 92 -0.095 12.816 -5.104 1.00 0.17 O ATOM 1404 CB ALA A 92 2.486 12.377 -4.385 1.00 0.18 C ATOM 0 H ALA A 92 3.006 11.426 -6.629 1.00 0.11 H new ATOM 0 HA ALA A 92 1.645 10.391 -4.252 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.009 12.721 -3.467 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.502 12.048 -4.165 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.517 13.194 -5.106 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.586 10.752 -5.714 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.014 11.091 -6.015 1.00 0.14 C ATOM 1412 C ASN A 93 -2.902 10.281 -5.069 1.00 0.13 C ATOM 1413 O ASN A 93 -3.234 9.145 -5.338 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.329 10.706 -7.465 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.696 11.268 -7.868 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.173 11.015 -8.957 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.356 12.020 -7.031 1.00 0.75 N ATOM 0 H ASN A 93 -0.338 9.776 -5.874 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.191 12.158 -5.881 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.557 11.093 -8.129 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.326 9.621 -7.571 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.269 12.393 -7.291 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.959 12.235 -6.116 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.284 10.848 -3.959 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.140 10.100 -2.992 1.00 0.15 C ATOM 1426 C LYS A 94 -5.540 9.858 -3.566 1.00 0.15 C ATOM 1427 O LYS A 94 -6.176 8.869 -3.264 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.267 10.926 -1.714 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.705 12.377 -2.054 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.563 13.365 -1.797 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.117 14.783 -1.894 1.00 0.59 C ATOM 1432 NZ LYS A 94 -3.014 15.768 -1.728 1.00 1.06 N ATOM 0 H LYS A 94 -3.041 11.798 -3.678 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.678 9.134 -2.789 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.995 10.466 -1.046 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.314 10.941 -1.186 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.012 12.433 -3.098 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.571 12.651 -1.451 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.130 13.195 -0.812 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.765 13.220 -2.526 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.604 14.928 -2.858 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.876 14.940 -1.127 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.397 16.733 -1.795 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.568 15.636 -0.798 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.305 15.624 -2.475 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.032 10.747 -4.384 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.391 10.551 -4.955 1.00 0.15 C ATOM 1448 C GLU A 95 -7.387 9.324 -5.858 1.00 0.15 C ATOM 1449 O GLU A 95 -8.382 8.650 -6.025 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.787 11.781 -5.773 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.830 13.007 -4.859 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.007 12.877 -3.892 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.938 12.158 -4.215 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -8.957 13.499 -2.844 1.00 1.55 O ATOM 0 H GLU A 95 -5.553 11.597 -4.680 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.107 10.409 -4.145 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.072 11.940 -6.580 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.761 11.625 -6.237 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.896 13.093 -4.303 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.932 13.915 -5.454 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.268 9.043 -6.452 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.169 7.879 -7.365 1.00 0.15 C ATOM 1463 C LYS A 96 -6.492 6.609 -6.584 1.00 0.14 C ATOM 1464 O LYS A 96 -7.085 5.682 -7.097 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.745 7.827 -7.897 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.627 6.811 -9.036 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.334 7.087 -9.812 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.175 6.069 -10.945 1.00 0.82 C ATOM 1469 NZ LYS A 96 -1.978 6.419 -11.760 1.00 1.45 N ATOM 0 H LYS A 96 -5.406 9.577 -6.342 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.870 7.966 -8.195 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.448 8.814 -8.252 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.061 7.559 -7.092 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.619 5.797 -8.637 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.489 6.886 -9.699 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.354 8.097 -10.220 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.478 7.032 -9.140 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.068 5.065 -10.534 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.067 6.064 -11.572 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -1.868 5.729 -12.530 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.098 7.370 -12.162 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.131 6.403 -11.157 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.123 6.570 -5.336 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.422 5.376 -4.505 1.00 0.13 C ATOM 1485 C LEU A 97 -7.925 5.174 -4.465 1.00 0.14 C ATOM 1486 O LEU A 97 -8.427 4.069 -4.479 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.960 5.636 -3.069 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.438 5.610 -2.968 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.035 6.123 -1.580 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.916 4.176 -3.165 1.00 0.19 C ATOM 0 H LEU A 97 -5.625 7.318 -4.854 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.917 4.506 -4.924 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.333 6.604 -2.733 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.384 4.883 -2.405 1.00 0.13 H new ATOM 0 HG LEU A 97 -4.006 6.243 -3.743 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.949 6.112 -1.489 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.399 7.142 -1.449 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.470 5.481 -0.814 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.829 4.171 -3.091 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.335 3.527 -2.396 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.214 3.812 -4.148 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.640 6.247 -4.385 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.122 6.143 -4.297 1.00 0.15 C ATOM 1504 C GLU A 98 -10.698 5.483 -5.550 1.00 0.16 C ATOM 1505 O GLU A 98 -11.582 4.653 -5.467 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.716 7.549 -4.134 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.236 7.463 -3.941 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.559 6.679 -2.664 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.639 5.464 -2.745 1.00 2.00 O ATOM 1510 OE2 GLU A 98 -12.718 7.307 -1.630 1.00 2.10 O ATOM 0 H GLU A 98 -8.268 7.197 -4.376 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.380 5.526 -3.437 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.261 8.047 -3.278 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.487 8.152 -5.012 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.660 8.465 -3.879 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.693 6.976 -4.802 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.233 5.857 -6.706 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.796 5.263 -7.957 1.00 0.17 C ATOM 1519 C ALA A 99 -10.427 3.781 -8.102 1.00 0.16 C ATOM 1520 O ALA A 99 -11.251 2.967 -8.472 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.271 6.037 -9.168 1.00 0.19 C ATOM 0 H ALA A 99 -9.492 6.544 -6.844 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.882 5.334 -7.901 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.681 5.605 -10.081 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.575 7.081 -9.092 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.183 5.977 -9.194 1.00 0.19 H new ATOM 1527 N THR A 100 -9.204 3.419 -7.843 1.00 0.16 N ATOM 1528 CA THR A 100 -8.815 1.988 -8.002 1.00 0.16 C ATOM 1529 C THR A 100 -9.583 1.131 -6.993 1.00 0.15 C ATOM 1530 O THR A 100 -10.048 0.054 -7.307 1.00 0.15 O ATOM 1531 CB THR A 100 -7.311 1.834 -7.791 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.625 2.769 -8.613 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.895 0.416 -8.178 1.00 0.20 C ATOM 0 H THR A 100 -8.461 4.044 -7.531 1.00 0.16 H new ATOM 0 HA THR A 100 -9.063 1.655 -9.010 1.00 0.16 H new ATOM 0 HB THR A 100 -7.063 2.017 -6.746 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.659 2.675 -8.479 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.822 0.299 -8.030 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.428 -0.302 -7.555 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.138 0.239 -9.226 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.743 1.611 -5.790 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.507 0.831 -4.770 1.00 0.13 C ATOM 1543 C ILE A 101 -11.930 0.633 -5.284 1.00 0.14 C ATOM 1544 O ILE A 101 -12.445 -0.464 -5.304 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.527 1.622 -3.454 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.120 1.624 -2.842 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.517 0.991 -2.473 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -8.998 2.755 -1.818 1.00 0.16 C ATOM 0 H ILE A 101 -9.379 2.508 -5.468 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.042 -0.140 -4.596 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.840 2.646 -3.656 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.921 0.665 -2.363 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.373 1.750 -3.626 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.522 1.561 -1.544 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.516 0.999 -2.909 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.219 -0.037 -2.266 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -7.996 2.750 -1.388 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.177 3.711 -2.309 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.733 2.610 -1.027 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.557 1.692 -5.718 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.938 1.584 -6.263 1.00 0.20 C ATOM 1562 C ASN A 102 -13.913 0.652 -7.467 1.00 0.19 C ATOM 1563 O ASN A 102 -14.846 -0.076 -7.736 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.433 2.964 -6.704 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.865 2.849 -7.233 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.108 2.200 -8.232 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.828 3.464 -6.604 1.00 0.55 N ATOM 0 H ASN A 102 -12.167 2.635 -5.718 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.607 1.194 -5.496 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.399 3.659 -5.865 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.779 3.366 -7.478 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.785 3.401 -6.950 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.624 4.008 -5.766 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.847 0.703 -8.208 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.731 -0.140 -9.423 1.00 0.18 C ATOM 1576 C GLU A 103 -12.657 -1.617 -9.019 1.00 0.16 C ATOM 1577 O GLU A 103 -13.221 -2.473 -9.670 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.442 0.256 -10.151 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.413 -0.360 -11.555 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.204 -1.870 -11.460 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.173 -2.271 -10.949 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -12.078 -2.600 -11.899 1.00 2.04 O ATOM 0 H GLU A 103 -12.042 1.300 -8.021 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.596 0.006 -10.071 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.375 1.342 -10.221 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.576 -0.081 -9.581 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.347 -0.146 -12.074 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -10.612 0.090 -12.142 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.949 -1.926 -7.958 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.819 -3.354 -7.519 1.00 0.14 C ATOM 1591 C LEU A 104 -12.778 -3.681 -6.364 1.00 0.13 C ATOM 1592 O LEU A 104 -12.830 -4.806 -5.907 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.384 -3.602 -7.044 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.393 -3.428 -8.202 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -7.965 -3.422 -7.646 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.549 -4.578 -9.216 1.00 0.25 C ATOM 0 H LEU A 104 -11.455 -1.250 -7.376 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.068 -3.991 -8.368 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.137 -2.909 -6.240 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.300 -4.609 -6.635 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.597 -2.485 -8.709 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.256 -3.299 -8.465 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.852 -2.598 -6.941 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.769 -4.365 -7.136 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -8.840 -4.442 -10.032 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.354 -5.529 -8.720 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.564 -4.578 -9.613 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.521 -2.730 -5.870 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.441 -3.040 -4.732 1.00 0.15 C ATOM 1610 C VAL A 105 -15.511 -4.038 -5.195 1.00 0.16 C ATOM 1611 O VAL A 105 -15.995 -4.788 -4.362 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.124 -1.752 -4.235 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.222 -1.309 -5.221 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.747 -2.015 -2.859 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.828 -4.033 -6.373 1.00 1.08 O ATOM 0 H VAL A 105 -13.534 -1.764 -6.197 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.862 -3.473 -3.917 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.380 -0.959 -4.163 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.694 -0.398 -4.854 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.778 -1.120 -6.199 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.971 -2.096 -5.309 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.233 -1.108 -2.500 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.484 -2.814 -2.940 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.967 -2.311 -2.157 1.00 0.19 H new TER 1625 VAL A 105 ATOM 1626 N PRO B 59 14.872 17.622 -12.738 1.00 1.11 N ATOM 1627 CA PRO B 59 14.810 16.138 -12.887 1.00 1.14 C ATOM 1628 C PRO B 59 14.261 15.449 -11.631 1.00 1.00 C ATOM 1629 O PRO B 59 13.640 14.407 -11.703 1.00 1.04 O ATOM 1630 CB PRO B 59 16.274 15.740 -13.134 1.00 1.33 C ATOM 1631 CG PRO B 59 16.904 16.951 -13.747 1.00 1.46 C ATOM 1632 CD PRO B 59 16.180 18.161 -13.144 1.00 1.26 C ATOM 0 HA PRO B 59 14.137 15.835 -13.689 1.00 1.14 H new ATOM 0 HB2 PRO B 59 16.771 15.464 -12.204 1.00 1.33 H new ATOM 0 HB3 PRO B 59 16.343 14.879 -13.799 1.00 1.33 H new ATOM 0 HG2 PRO B 59 17.971 16.987 -13.529 1.00 1.46 H new ATOM 0 HG3 PRO B 59 16.801 16.937 -14.832 1.00 1.46 H new ATOM 0 HD2 PRO B 59 16.725 18.570 -12.294 1.00 1.26 H new ATOM 0 HD3 PRO B 59 16.073 18.966 -13.871 1.00 1.26 H new ATOM 1640 N ALA B 60 14.477 16.030 -10.481 1.00 0.88 N ATOM 1641 CA ALA B 60 13.967 15.417 -9.218 1.00 0.76 C ATOM 1642 C ALA B 60 12.578 15.983 -8.918 1.00 0.61 C ATOM 1643 O ALA B 60 12.407 17.179 -8.778 1.00 0.61 O ATOM 1644 CB ALA B 60 14.919 15.764 -8.070 1.00 0.78 C ATOM 0 H ALA B 60 14.986 16.906 -10.361 1.00 0.88 H new ATOM 0 HA ALA B 60 13.908 14.334 -9.326 1.00 0.76 H new ATOM 0 HB1 ALA B 60 14.551 15.319 -7.145 1.00 0.78 H new ATOM 0 HB2 ALA B 60 15.913 15.374 -8.291 1.00 0.78 H new ATOM 0 HB3 ALA B 60 14.972 16.847 -7.956 1.00 0.78 H new ATOM 1650 N THR B 61 11.580 15.135 -8.821 1.00 0.54 N ATOM 1651 CA THR B 61 10.188 15.622 -8.537 1.00 0.44 C ATOM 1652 C THR B 61 9.811 15.270 -7.095 1.00 0.34 C ATOM 1653 O THR B 61 9.963 14.147 -6.658 1.00 0.32 O ATOM 1654 CB THR B 61 9.218 14.937 -9.506 1.00 0.51 C ATOM 1655 OG1 THR B 61 9.707 15.083 -10.833 1.00 0.70 O ATOM 1656 CG2 THR B 61 7.835 15.584 -9.404 1.00 0.47 C ATOM 0 H THR B 61 11.668 14.124 -8.926 1.00 0.54 H new ATOM 0 HA THR B 61 10.136 16.703 -8.667 1.00 0.44 H new ATOM 0 HB THR B 61 9.139 13.880 -9.251 1.00 0.51 H new ATOM 0 HG1 THR B 61 9.092 14.646 -11.458 1.00 0.70 H new ATOM 0 HG21 THR B 61 7.151 15.092 -10.096 1.00 0.47 H new ATOM 0 HG22 THR B 61 7.459 15.480 -8.386 1.00 0.47 H new ATOM 0 HG23 THR B 61 7.908 16.642 -9.657 1.00 0.47 H new ATOM 1664 N LEU B 62 9.327 16.229 -6.355 1.00 0.34 N ATOM 1665 CA LEU B 62 8.938 15.972 -4.940 1.00 0.32 C ATOM 1666 C LEU B 62 7.797 14.952 -4.894 1.00 0.23 C ATOM 1667 O LEU B 62 7.653 14.204 -3.947 1.00 0.25 O ATOM 1668 CB LEU B 62 8.469 17.283 -4.306 1.00 0.40 C ATOM 1669 CG LEU B 62 9.657 18.240 -4.126 1.00 0.50 C ATOM 1670 CD1 LEU B 62 9.131 19.598 -3.655 1.00 0.61 C ATOM 1671 CD2 LEU B 62 10.655 17.682 -3.090 1.00 0.55 C ATOM 0 H LEU B 62 9.183 17.187 -6.673 1.00 0.34 H new ATOM 0 HA LEU B 62 9.794 15.579 -4.393 1.00 0.32 H new ATOM 0 HB2 LEU B 62 7.710 17.748 -4.935 1.00 0.40 H new ATOM 0 HB3 LEU B 62 8.004 17.083 -3.341 1.00 0.40 H new ATOM 0 HG LEU B 62 10.176 18.348 -5.078 1.00 0.50 H new ATOM 0 HD11 LEU B 62 9.966 20.286 -3.524 1.00 0.61 H new ATOM 0 HD12 LEU B 62 8.443 20.000 -4.399 1.00 0.61 H new ATOM 0 HD13 LEU B 62 8.608 19.477 -2.706 1.00 0.61 H new ATOM 0 HD21 LEU B 62 11.489 18.375 -2.978 1.00 0.55 H new ATOM 0 HD22 LEU B 62 10.153 17.560 -2.130 1.00 0.55 H new ATOM 0 HD23 LEU B 62 11.029 16.716 -3.429 1.00 0.55 H new ATOM 1683 N LYS B 63 6.980 14.931 -5.908 1.00 0.19 N ATOM 1684 CA LYS B 63 5.832 13.981 -5.940 1.00 0.14 C ATOM 1685 C LYS B 63 6.373 12.550 -5.870 1.00 0.12 C ATOM 1686 O LYS B 63 5.655 11.620 -5.548 1.00 0.12 O ATOM 1687 CB LYS B 63 5.081 14.162 -7.263 1.00 0.17 C ATOM 1688 CG LYS B 63 4.552 15.600 -7.398 1.00 0.20 C ATOM 1689 CD LYS B 63 3.526 15.906 -6.301 1.00 0.40 C ATOM 1690 CE LYS B 63 2.695 17.128 -6.701 1.00 0.35 C ATOM 1691 NZ LYS B 63 3.583 18.321 -6.789 1.00 1.31 N ATOM 0 H LYS B 63 7.058 15.537 -6.725 1.00 0.19 H new ATOM 0 HA LYS B 63 5.164 14.170 -5.100 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.744 13.934 -8.097 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.251 13.458 -7.314 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.381 16.305 -7.334 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.094 15.734 -8.378 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.875 15.045 -6.148 1.00 0.40 H new ATOM 0 HD3 LYS B 63 4.035 16.093 -5.355 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.207 16.952 -7.660 1.00 0.35 H new ATOM 0 HE3 LYS B 63 1.906 17.301 -5.969 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 3.003 19.181 -6.858 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 4.179 18.373 -5.939 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 4.188 18.242 -7.632 1.00 1.31 H new ATOM 1705 N ILE B 64 7.633 12.373 -6.194 1.00 0.11 N ATOM 1706 CA ILE B 64 8.269 11.010 -6.159 1.00 0.11 C ATOM 1707 C ILE B 64 9.610 11.081 -5.404 1.00 0.10 C ATOM 1708 O ILE B 64 10.374 12.007 -5.588 1.00 0.11 O ATOM 1709 CB ILE B 64 8.545 10.543 -7.598 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.225 10.275 -8.342 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.397 9.269 -7.589 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.383 9.214 -7.612 1.00 0.15 C ATOM 0 H ILE B 64 8.258 13.124 -6.486 1.00 0.11 H new ATOM 0 HA ILE B 64 7.597 10.315 -5.656 1.00 0.11 H new ATOM 0 HB ILE B 64 9.088 11.334 -8.115 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.656 11.201 -8.425 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.438 9.940 -9.357 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.585 8.950 -8.614 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.346 9.469 -7.092 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.867 8.481 -7.055 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.456 9.045 -8.160 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.945 8.282 -7.552 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.151 9.563 -6.606 1.00 0.15 H new ATOM 1724 N CYS B 65 9.928 10.095 -4.591 1.00 0.09 N ATOM 1725 CA CYS B 65 11.250 10.101 -3.885 1.00 0.10 C ATOM 1726 C CYS B 65 12.208 9.237 -4.712 1.00 0.10 C ATOM 1727 O CYS B 65 11.888 8.120 -5.068 1.00 0.11 O ATOM 1728 CB CYS B 65 11.135 9.511 -2.466 1.00 0.10 C ATOM 1729 SG CYS B 65 9.660 10.146 -1.627 1.00 0.19 S ATOM 0 H CYS B 65 9.332 9.293 -4.389 1.00 0.09 H new ATOM 0 HA CYS B 65 11.608 11.126 -3.788 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.088 8.423 -2.522 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.025 9.763 -1.889 1.00 0.10 H new ATOM 1734 N SER B 66 13.364 9.737 -5.047 1.00 0.12 N ATOM 1735 CA SER B 66 14.304 8.925 -5.878 1.00 0.14 C ATOM 1736 C SER B 66 15.009 7.867 -5.023 1.00 0.14 C ATOM 1737 O SER B 66 15.390 8.117 -3.898 1.00 0.15 O ATOM 1738 CB SER B 66 15.351 9.845 -6.504 1.00 0.18 C ATOM 1739 OG SER B 66 14.698 10.802 -7.327 1.00 0.20 O ATOM 0 H SER B 66 13.699 10.664 -4.786 1.00 0.12 H new ATOM 0 HA SER B 66 13.732 8.421 -6.658 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.924 10.348 -5.725 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.059 9.262 -7.094 1.00 0.18 H new ATOM 0 HG SER B 66 15.365 11.396 -7.730 1.00 0.20 H new ATOM 1745 N TRP B 67 15.208 6.693 -5.566 1.00 0.15 N ATOM 1746 CA TRP B 67 15.911 5.622 -4.800 1.00 0.16 C ATOM 1747 C TRP B 67 17.407 5.914 -4.802 1.00 0.19 C ATOM 1748 O TRP B 67 18.169 5.324 -4.061 1.00 0.21 O ATOM 1749 CB TRP B 67 15.653 4.260 -5.459 1.00 0.16 C ATOM 1750 CG TRP B 67 14.232 3.872 -5.215 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.164 4.571 -5.638 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.708 2.719 -4.490 1.00 0.14 C ATOM 1753 NE1 TRP B 67 12.018 3.928 -5.219 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.303 2.786 -4.503 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.308 1.637 -3.827 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.523 1.818 -3.876 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.526 0.658 -3.200 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.135 0.753 -3.222 1.00 0.16 C ATOM 0 H TRP B 67 14.914 6.431 -6.507 1.00 0.15 H new ATOM 0 HA TRP B 67 15.539 5.598 -3.776 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.851 4.314 -6.529 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.326 3.508 -5.048 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.198 5.486 -6.212 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.073 4.258 -5.416 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.385 1.558 -3.800 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.446 1.893 -3.897 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 14.002 -0.172 -2.699 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.534 0.001 -2.732 1.00 0.16 H new ATOM 1769 N ASN B 68 17.832 6.837 -5.619 1.00 0.23 N ATOM 1770 CA ASN B 68 19.276 7.181 -5.666 1.00 0.27 C ATOM 1771 C ASN B 68 19.747 7.496 -4.250 1.00 0.26 C ATOM 1772 O ASN B 68 20.928 7.610 -3.986 1.00 0.30 O ATOM 1773 CB ASN B 68 19.480 8.413 -6.554 1.00 0.34 C ATOM 1774 CG ASN B 68 19.189 8.048 -8.012 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.399 8.848 -8.903 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.707 6.868 -8.296 1.00 0.40 N ATOM 0 H ASN B 68 17.239 7.368 -6.257 1.00 0.23 H new ATOM 0 HA ASN B 68 19.845 6.346 -6.074 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.821 9.219 -6.232 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.502 8.779 -6.457 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.507 6.618 -9.265 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.530 6.196 -7.549 1.00 0.40 H new ATOM 1783 N VAL B 69 18.828 7.635 -3.332 1.00 0.26 N ATOM 1784 CA VAL B 69 19.227 7.939 -1.932 1.00 0.33 C ATOM 1785 C VAL B 69 20.082 6.791 -1.394 1.00 0.41 C ATOM 1786 O VAL B 69 19.831 5.632 -1.660 1.00 0.49 O ATOM 1787 CB VAL B 69 17.980 8.113 -1.058 1.00 0.45 C ATOM 1788 CG1 VAL B 69 17.263 9.412 -1.438 1.00 0.99 C ATOM 1789 CG2 VAL B 69 17.026 6.930 -1.271 1.00 1.04 C ATOM 0 H VAL B 69 17.824 7.551 -3.492 1.00 0.26 H new ATOM 0 HA VAL B 69 19.802 8.865 -1.911 1.00 0.33 H new ATOM 0 HB VAL B 69 18.282 8.153 -0.011 1.00 0.45 H new ATOM 0 HG11 VAL B 69 16.377 9.534 -0.815 1.00 0.99 H new ATOM 0 HG12 VAL B 69 17.934 10.257 -1.283 1.00 0.99 H new ATOM 0 HG13 VAL B 69 16.967 9.371 -2.486 1.00 0.99 H new ATOM 0 HG21 VAL B 69 16.141 7.059 -0.647 1.00 1.04 H new ATOM 0 HG22 VAL B 69 16.728 6.887 -2.319 1.00 1.04 H new ATOM 0 HG23 VAL B 69 17.530 6.003 -0.999 1.00 1.04 H new ATOM 1799 N ASP B 70 21.103 7.108 -0.650 1.00 0.49 N ATOM 1800 CA ASP B 70 21.990 6.045 -0.101 1.00 0.64 C ATOM 1801 C ASP B 70 21.179 5.104 0.786 1.00 0.76 C ATOM 1802 O ASP B 70 21.380 3.906 0.781 1.00 0.90 O ATOM 1803 CB ASP B 70 23.104 6.684 0.729 1.00 0.74 C ATOM 1804 CG ASP B 70 24.077 7.406 -0.205 1.00 0.77 C ATOM 1805 OD1 ASP B 70 24.477 6.805 -1.190 1.00 1.32 O ATOM 1806 OD2 ASP B 70 24.407 8.546 0.079 1.00 1.36 O ATOM 0 H ASP B 70 21.363 8.061 -0.397 1.00 0.49 H new ATOM 0 HA ASP B 70 22.425 5.482 -0.927 1.00 0.64 H new ATOM 0 HB2 ASP B 70 22.681 7.387 1.447 1.00 0.74 H new ATOM 0 HB3 ASP B 70 23.630 5.921 1.302 1.00 0.74 H new ATOM 1811 N GLY B 71 20.274 5.631 1.559 1.00 0.77 N ATOM 1812 CA GLY B 71 19.468 4.756 2.452 1.00 0.96 C ATOM 1813 C GLY B 71 20.402 4.072 3.451 1.00 1.62 C ATOM 1814 O GLY B 71 21.565 4.441 3.490 1.00 2.29 O ATOM 1815 OXT GLY B 71 19.942 3.192 4.156 1.00 2.32 O ATOM 0 H GLY B 71 20.058 6.626 1.612 1.00 0.77 H new ATOM 0 HA2 GLY B 71 18.718 5.345 2.980 1.00 0.96 H new ATOM 0 HA3 GLY B 71 18.932 4.010 1.865 1.00 0.96 H new TER 1819 GLY B 71