USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 GLN : amide:sc= 0.0719 K(o=-0.064,f=-3.1) USER MOD Set 1.2: A 91 ASN : amide:sc= -0.136 K(o=-0.064,f=-6.8!) USER MOD Set 2.1: A 71 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00321) USER MOD Set 2.2: A 79 ASN : amide:sc= -0.0931 K(o=-0.093,f=-4.1) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.612 (180deg=0.0694) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 3:sc= 0.249 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.298 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= -0.0286 (180deg=-0.245) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0706 USER MOD Single : A 34 MET CE :methyl -163:sc= -0.03 (180deg=-0.554) USER MOD Single : A 35 CYS SG : rot -94:sc= 0.768 USER MOD Single : A 36 SER OG : rot 61:sc= 1.28 USER MOD Single : A 37 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 38 TYR OH : rot -89:sc= 0.111 USER MOD Single : A 40 SER OG : rot 18:sc= 0.0431 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -31:sc= 0.28 USER MOD Single : A 50 SER OG : rot 83:sc= 1.25 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -62:sc= -0.217 USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.17) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0903 K(o=-0.09,f=-1) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 82 MET CE :methyl -176:sc= -0.0211 (180deg=-0.0396) USER MOD Single : A 83 HIS : no HD1:sc=-0.000102 X(o=-0.0001,f=-0.058) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 88 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.2) USER MOD Single : A 89 GLN : amide:sc= 0.615 K(o=0.61,f=-0.015) USER MOD Single : A 98 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00174 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.852 -5.209 -2.545 1.00 25.52 N ATOM 2 CA GLY A 1 -23.636 -4.715 -1.891 1.00 2.24 C ATOM 3 C GLY A 1 -23.863 -4.649 -0.392 1.00 34.11 C ATOM 4 O GLY A 1 -24.441 -3.688 0.115 1.00 1.53 O ATOM 0 H1 GLY A 1 -24.592 -5.837 -3.332 1.00 25.52 H new ATOM 0 H2 GLY A 1 -25.427 -5.736 -1.857 1.00 25.52 H new ATOM 0 H3 GLY A 1 -25.401 -4.405 -2.910 1.00 25.52 H new ATOM 0 HA2 GLY A 1 -22.796 -5.373 -2.114 1.00 2.24 H new ATOM 0 HA3 GLY A 1 -23.378 -3.728 -2.275 1.00 2.24 H new ATOM 8 N MET A 2 -23.426 -5.678 0.328 1.00 42.42 N ATOM 9 CA MET A 2 -23.534 -5.806 1.769 1.00 11.33 C ATOM 10 C MET A 2 -22.103 -6.017 2.247 1.00 41.32 C ATOM 11 O MET A 2 -21.572 -7.126 2.131 1.00 34.53 O ATOM 12 CB MET A 2 -24.485 -6.960 2.139 1.00 41.43 C ATOM 13 CG MET A 2 -25.950 -6.681 1.772 1.00 54.51 C ATOM 14 SD MET A 2 -26.400 -6.862 0.017 1.00 42.33 S ATOM 15 CE MET A 2 -28.151 -6.408 0.108 1.00 72.15 C ATOM 0 H MET A 2 -22.966 -6.480 -0.102 1.00 42.42 H new ATOM 0 HA MET A 2 -23.968 -4.930 2.250 1.00 11.33 H new ATOM 0 HB2 MET A 2 -24.157 -7.868 1.633 1.00 41.43 H new ATOM 0 HB3 MET A 2 -24.416 -7.150 3.210 1.00 41.43 H new ATOM 0 HG2 MET A 2 -26.581 -7.351 2.356 1.00 54.51 H new ATOM 0 HG3 MET A 2 -26.191 -5.664 2.082 1.00 54.51 H new ATOM 0 HE1 MET A 2 -28.593 -6.464 -0.887 1.00 72.15 H new ATOM 0 HE2 MET A 2 -28.671 -7.095 0.775 1.00 72.15 H new ATOM 0 HE3 MET A 2 -28.244 -5.391 0.490 1.00 72.15 H new ATOM 25 N GLY A 3 -21.438 -4.932 2.639 1.00 34.22 N ATOM 26 CA GLY A 3 -20.001 -4.874 2.841 1.00 54.33 C ATOM 27 C GLY A 3 -19.537 -3.433 3.035 1.00 32.24 C ATOM 28 O GLY A 3 -20.365 -2.518 3.068 1.00 44.12 O ATOM 0 H GLY A 3 -21.903 -4.044 2.829 1.00 34.22 H new ATOM 0 HA2 GLY A 3 -19.728 -5.469 3.713 1.00 54.33 H new ATOM 0 HA3 GLY A 3 -19.491 -5.312 1.983 1.00 54.33 H new ATOM 32 N THR A 4 -18.221 -3.264 3.195 1.00 3.02 N ATOM 33 CA THR A 4 -17.521 -2.065 3.681 1.00 73.51 C ATOM 34 C THR A 4 -18.112 -1.474 4.978 1.00 53.33 C ATOM 35 O THR A 4 -17.797 -0.354 5.377 1.00 44.43 O ATOM 36 CB THR A 4 -17.228 -1.045 2.555 1.00 33.04 C ATOM 37 OG1 THR A 4 -18.366 -0.625 1.830 1.00 32.22 O ATOM 38 CG2 THR A 4 -16.242 -1.608 1.527 1.00 21.51 C ATOM 0 H THR A 4 -17.567 -4.015 2.973 1.00 3.02 H new ATOM 0 HA THR A 4 -16.534 -2.400 4.002 1.00 73.51 H new ATOM 0 HB THR A 4 -16.816 -0.189 3.090 1.00 33.04 H new ATOM 0 HG1 THR A 4 -19.169 -1.034 2.216 1.00 32.22 H new ATOM 0 HG21 THR A 4 -16.060 -0.864 0.752 1.00 21.51 H new ATOM 0 HG22 THR A 4 -15.302 -1.854 2.021 1.00 21.51 H new ATOM 0 HG23 THR A 4 -16.661 -2.507 1.076 1.00 21.51 H new ATOM 46 N THR A 5 -18.902 -2.246 5.724 1.00 63.35 N ATOM 47 CA THR A 5 -19.546 -1.862 6.971 1.00 72.22 C ATOM 48 C THR A 5 -18.566 -1.809 8.160 1.00 2.44 C ATOM 49 O THR A 5 -19.000 -1.670 9.309 1.00 22.11 O ATOM 50 CB THR A 5 -20.709 -2.846 7.246 1.00 55.15 C ATOM 51 OG1 THR A 5 -21.046 -3.655 6.126 1.00 2.33 O ATOM 52 CG2 THR A 5 -21.980 -2.109 7.669 1.00 33.42 C ATOM 0 H THR A 5 -19.119 -3.206 5.457 1.00 63.35 H new ATOM 0 HA THR A 5 -19.929 -0.847 6.863 1.00 72.22 H new ATOM 0 HB THR A 5 -20.340 -3.485 8.048 1.00 55.15 H new ATOM 0 HG1 THR A 5 -21.784 -4.254 6.365 1.00 2.33 H new ATOM 0 HG21 THR A 5 -22.775 -2.831 7.854 1.00 33.42 H new ATOM 0 HG22 THR A 5 -21.786 -1.542 8.580 1.00 33.42 H new ATOM 0 HG23 THR A 5 -22.286 -1.427 6.876 1.00 33.42 H new ATOM 60 N GLU A 6 -17.257 -1.922 7.915 1.00 32.23 N ATOM 61 CA GLU A 6 -16.195 -1.921 8.915 1.00 63.44 C ATOM 62 C GLU A 6 -15.180 -0.831 8.569 1.00 71.40 C ATOM 63 O GLU A 6 -14.194 -1.073 7.869 1.00 35.35 O ATOM 64 CB GLU A 6 -15.528 -3.303 9.024 1.00 4.05 C ATOM 65 CG GLU A 6 -16.432 -4.378 9.652 1.00 53.12 C ATOM 66 CD GLU A 6 -15.675 -5.280 10.629 1.00 23.44 C ATOM 67 OE1 GLU A 6 -15.133 -4.732 11.613 1.00 32.25 O ATOM 68 OE2 GLU A 6 -15.690 -6.524 10.468 1.00 22.40 O ATOM 0 H GLU A 6 -16.896 -2.021 6.966 1.00 32.23 H new ATOM 0 HA GLU A 6 -16.625 -1.704 9.893 1.00 63.44 H new ATOM 0 HB2 GLU A 6 -15.226 -3.631 8.029 1.00 4.05 H new ATOM 0 HB3 GLU A 6 -14.619 -3.212 9.619 1.00 4.05 H new ATOM 0 HG2 GLU A 6 -17.258 -3.895 10.174 1.00 53.12 H new ATOM 0 HG3 GLU A 6 -16.868 -4.989 8.862 1.00 53.12 H new ATOM 75 N LYS A 7 -15.433 0.380 9.066 1.00 40.24 N ATOM 76 CA LYS A 7 -14.478 1.485 9.019 1.00 13.14 C ATOM 77 C LYS A 7 -13.224 1.150 9.835 1.00 51.13 C ATOM 78 O LYS A 7 -13.220 0.245 10.681 1.00 53.43 O ATOM 79 CB LYS A 7 -15.139 2.774 9.555 1.00 54.20 C ATOM 80 CG LYS A 7 -15.520 2.644 11.041 1.00 14.22 C ATOM 81 CD LYS A 7 -16.046 3.949 11.639 1.00 41.33 C ATOM 82 CE LYS A 7 -16.380 3.652 13.108 1.00 64.31 C ATOM 83 NZ LYS A 7 -17.718 4.138 13.484 1.00 53.25 N ATOM 0 H LYS A 7 -16.315 0.623 9.517 1.00 40.24 H new ATOM 0 HA LYS A 7 -14.178 1.644 7.983 1.00 13.14 H new ATOM 0 HB2 LYS A 7 -14.456 3.614 9.427 1.00 54.20 H new ATOM 0 HB3 LYS A 7 -16.031 2.996 8.969 1.00 54.20 H new ATOM 0 HG2 LYS A 7 -16.279 1.869 11.149 1.00 14.22 H new ATOM 0 HG3 LYS A 7 -14.648 2.317 11.607 1.00 14.22 H new ATOM 0 HD2 LYS A 7 -15.299 4.739 11.563 1.00 41.33 H new ATOM 0 HD3 LYS A 7 -16.930 4.293 11.102 1.00 41.33 H new ATOM 0 HE2 LYS A 7 -16.324 2.577 13.281 1.00 64.31 H new ATOM 0 HE3 LYS A 7 -15.632 4.118 13.750 1.00 64.31 H new ATOM 0 HZ1 LYS A 7 -17.900 3.916 14.484 1.00 53.25 H new ATOM 0 HZ2 LYS A 7 -17.765 5.167 13.344 1.00 53.25 H new ATOM 0 HZ3 LYS A 7 -18.435 3.675 12.890 1.00 53.25 H new ATOM 97 N SER A 8 -12.207 1.988 9.676 1.00 15.51 N ATOM 98 CA SER A 8 -11.062 2.088 10.562 1.00 71.22 C ATOM 99 C SER A 8 -10.528 3.531 10.530 1.00 42.45 C ATOM 100 O SER A 8 -11.255 4.461 10.144 1.00 70.31 O ATOM 101 CB SER A 8 -10.045 1.005 10.172 1.00 13.31 C ATOM 102 OG SER A 8 -9.061 0.912 11.174 1.00 60.30 O ATOM 0 H SER A 8 -12.159 2.641 8.894 1.00 15.51 H new ATOM 0 HA SER A 8 -11.321 1.896 11.603 1.00 71.22 H new ATOM 0 HB2 SER A 8 -10.547 0.045 10.048 1.00 13.31 H new ATOM 0 HB3 SER A 8 -9.584 1.249 9.215 1.00 13.31 H new ATOM 0 HG SER A 8 -8.410 0.221 10.930 1.00 60.30 H new ATOM 108 N GLY A 9 -9.290 3.733 10.988 1.00 71.14 N ATOM 109 CA GLY A 9 -8.571 5.005 11.020 1.00 43.32 C ATOM 110 C GLY A 9 -7.118 4.822 10.583 1.00 64.43 C ATOM 111 O GLY A 9 -6.211 5.405 11.169 1.00 31.15 O ATOM 0 H GLY A 9 -8.732 2.968 11.368 1.00 71.14 H new ATOM 0 HA2 GLY A 9 -9.064 5.723 10.364 1.00 43.32 H new ATOM 0 HA3 GLY A 9 -8.602 5.420 12.028 1.00 43.32 H new ATOM 115 N ILE A 10 -6.884 3.954 9.600 1.00 24.33 N ATOM 116 CA ILE A 10 -5.582 3.577 9.063 1.00 11.12 C ATOM 117 C ILE A 10 -4.973 4.784 8.327 1.00 1.00 C ATOM 118 O ILE A 10 -5.678 5.503 7.619 1.00 1.31 O ATOM 119 CB ILE A 10 -5.792 2.370 8.113 1.00 73.51 C ATOM 120 CG1 ILE A 10 -6.490 1.153 8.770 1.00 43.42 C ATOM 121 CG2 ILE A 10 -4.452 1.887 7.553 1.00 72.45 C ATOM 122 CD1 ILE A 10 -7.173 0.237 7.743 1.00 31.13 C ATOM 0 H ILE A 10 -7.647 3.467 9.130 1.00 24.33 H new ATOM 0 HA ILE A 10 -4.890 3.288 9.854 1.00 11.12 H new ATOM 0 HB ILE A 10 -6.448 2.747 7.328 1.00 73.51 H new ATOM 0 HG12 ILE A 10 -5.755 0.577 9.332 1.00 43.42 H new ATOM 0 HG13 ILE A 10 -7.232 1.507 9.485 1.00 43.42 H new ATOM 0 HG21 ILE A 10 -4.620 1.039 6.888 1.00 72.45 H new ATOM 0 HG22 ILE A 10 -3.977 2.696 6.997 1.00 72.45 H new ATOM 0 HG23 ILE A 10 -3.803 1.582 8.374 1.00 72.45 H new ATOM 0 HD11 ILE A 10 -7.646 -0.599 8.259 1.00 31.13 H new ATOM 0 HD12 ILE A 10 -7.929 0.802 7.198 1.00 31.13 H new ATOM 0 HD13 ILE A 10 -6.429 -0.143 7.043 1.00 31.13 H new ATOM 134 N LYS A 11 -3.650 4.983 8.420 1.00 23.13 N ATOM 135 CA LYS A 11 -2.937 6.084 7.744 1.00 14.21 C ATOM 136 C LYS A 11 -1.814 5.674 6.796 1.00 21.21 C ATOM 137 O LYS A 11 -1.050 6.518 6.336 1.00 55.23 O ATOM 138 CB LYS A 11 -2.421 7.115 8.755 1.00 55.03 C ATOM 139 CG LYS A 11 -3.483 7.672 9.705 1.00 31.14 C ATOM 140 CD LYS A 11 -3.464 6.966 11.067 1.00 3.44 C ATOM 141 CE LYS A 11 -4.445 7.608 12.048 1.00 50.54 C ATOM 142 NZ LYS A 11 -4.100 9.012 12.348 1.00 52.33 N ATOM 0 H LYS A 11 -3.037 4.381 8.970 1.00 23.13 H new ATOM 0 HA LYS A 11 -3.699 6.527 7.103 1.00 14.21 H new ATOM 0 HB2 LYS A 11 -1.629 6.657 9.347 1.00 55.03 H new ATOM 0 HB3 LYS A 11 -1.972 7.945 8.209 1.00 55.03 H new ATOM 0 HG2 LYS A 11 -3.317 8.740 9.848 1.00 31.14 H new ATOM 0 HG3 LYS A 11 -4.468 7.560 9.253 1.00 31.14 H new ATOM 0 HD2 LYS A 11 -3.716 5.914 10.935 1.00 3.44 H new ATOM 0 HD3 LYS A 11 -2.457 7.003 11.482 1.00 3.44 H new ATOM 0 HE2 LYS A 11 -5.452 7.565 11.632 1.00 50.54 H new ATOM 0 HE3 LYS A 11 -4.457 7.033 12.974 1.00 50.54 H new ATOM 0 HZ1 LYS A 11 -4.623 9.325 13.191 1.00 52.33 H new ATOM 0 HZ2 LYS A 11 -3.078 9.088 12.526 1.00 52.33 H new ATOM 0 HZ3 LYS A 11 -4.356 9.613 11.539 1.00 52.33 H new ATOM 156 N GLU A 12 -1.712 4.401 6.454 1.00 32.12 N ATOM 157 CA GLU A 12 -0.863 3.922 5.369 1.00 51.04 C ATOM 158 C GLU A 12 -1.344 2.565 4.856 1.00 42.54 C ATOM 159 O GLU A 12 -2.285 1.991 5.402 1.00 55.32 O ATOM 160 CB GLU A 12 0.608 3.900 5.813 1.00 15.14 C ATOM 161 CG GLU A 12 0.966 2.942 6.931 1.00 3.55 C ATOM 162 CD GLU A 12 2.473 2.767 7.049 1.00 33.31 C ATOM 163 OE1 GLU A 12 3.047 1.948 6.303 1.00 34.41 O ATOM 164 OE2 GLU A 12 3.107 3.377 7.950 1.00 71.51 O ATOM 0 H GLU A 12 -2.224 3.657 6.928 1.00 32.12 H new ATOM 0 HA GLU A 12 -0.936 4.613 4.529 1.00 51.04 H new ATOM 0 HB2 GLU A 12 1.222 3.656 4.946 1.00 15.14 H new ATOM 0 HB3 GLU A 12 0.884 4.907 6.126 1.00 15.14 H new ATOM 0 HG2 GLU A 12 0.566 3.315 7.874 1.00 3.55 H new ATOM 0 HG3 GLU A 12 0.499 1.975 6.747 1.00 3.55 H new ATOM 171 N ILE A 13 -0.697 2.051 3.817 1.00 40.34 N ATOM 172 CA ILE A 13 -0.834 0.688 3.319 1.00 0.12 C ATOM 173 C ILE A 13 0.542 0.054 3.261 1.00 40.21 C ATOM 174 O ILE A 13 1.549 0.758 3.146 1.00 33.04 O ATOM 175 CB ILE A 13 -1.446 0.659 1.908 1.00 65.00 C ATOM 176 CG1 ILE A 13 -0.805 1.711 0.972 1.00 21.25 C ATOM 177 CG2 ILE A 13 -2.961 0.821 1.991 1.00 44.44 C ATOM 178 CD1 ILE A 13 -0.766 1.263 -0.483 1.00 32.41 C ATOM 0 H ILE A 13 -0.031 2.599 3.273 1.00 40.34 H new ATOM 0 HA ILE A 13 -1.496 0.142 3.992 1.00 0.12 H new ATOM 0 HB ILE A 13 -1.228 -0.313 1.465 1.00 65.00 H new ATOM 0 HG12 ILE A 13 -1.364 2.644 1.045 1.00 21.25 H new ATOM 0 HG13 ILE A 13 0.210 1.920 1.310 1.00 21.25 H new ATOM 0 HG21 ILE A 13 -3.385 0.799 0.987 1.00 44.44 H new ATOM 0 HG22 ILE A 13 -3.382 0.007 2.580 1.00 44.44 H new ATOM 0 HG23 ILE A 13 -3.200 1.773 2.465 1.00 44.44 H new ATOM 0 HD11 ILE A 13 -0.306 2.042 -1.091 1.00 32.41 H new ATOM 0 HD12 ILE A 13 -0.183 0.346 -0.566 1.00 32.41 H new ATOM 0 HD13 ILE A 13 -1.781 1.080 -0.835 1.00 32.41 H new ATOM 190 N ILE A 14 0.571 -1.276 3.259 1.00 23.03 N ATOM 191 CA ILE A 14 1.780 -2.059 3.143 1.00 74.34 C ATOM 192 C ILE A 14 1.514 -3.115 2.066 1.00 62.24 C ATOM 193 O ILE A 14 0.893 -4.141 2.323 1.00 34.43 O ATOM 194 CB ILE A 14 2.205 -2.596 4.529 1.00 30.40 C ATOM 195 CG1 ILE A 14 2.406 -1.425 5.527 1.00 61.52 C ATOM 196 CG2 ILE A 14 3.506 -3.394 4.360 1.00 21.55 C ATOM 197 CD1 ILE A 14 2.963 -1.823 6.895 1.00 11.34 C ATOM 0 H ILE A 14 -0.271 -1.846 3.340 1.00 23.03 H new ATOM 0 HA ILE A 14 2.644 -1.477 2.822 1.00 74.34 H new ATOM 0 HB ILE A 14 1.426 -3.243 4.932 1.00 30.40 H new ATOM 0 HG12 ILE A 14 3.080 -0.696 5.076 1.00 61.52 H new ATOM 0 HG13 ILE A 14 1.448 -0.926 5.674 1.00 61.52 H new ATOM 0 HG21 ILE A 14 3.823 -3.782 5.328 1.00 21.55 H new ATOM 0 HG22 ILE A 14 3.337 -4.224 3.674 1.00 21.55 H new ATOM 0 HG23 ILE A 14 4.282 -2.743 3.958 1.00 21.55 H new ATOM 0 HD11 ILE A 14 3.066 -0.935 7.518 1.00 11.34 H new ATOM 0 HD12 ILE A 14 2.282 -2.526 7.375 1.00 11.34 H new ATOM 0 HD13 ILE A 14 3.938 -2.293 6.768 1.00 11.34 H new ATOM 209 N ILE A 15 1.949 -2.863 0.832 1.00 55.54 N ATOM 210 CA ILE A 15 1.834 -3.824 -0.263 1.00 11.44 C ATOM 211 C ILE A 15 2.838 -4.947 0.033 1.00 51.44 C ATOM 212 O ILE A 15 4.057 -4.746 -0.057 1.00 62.32 O ATOM 213 CB ILE A 15 2.070 -3.124 -1.621 1.00 64.43 C ATOM 214 CG1 ILE A 15 1.147 -1.913 -1.867 1.00 62.42 C ATOM 215 CG2 ILE A 15 1.958 -4.081 -2.825 1.00 32.43 C ATOM 216 CD1 ILE A 15 -0.340 -2.134 -1.558 1.00 71.35 C ATOM 0 H ILE A 15 2.392 -1.984 0.563 1.00 55.54 H new ATOM 0 HA ILE A 15 0.834 -4.252 -0.335 1.00 11.44 H new ATOM 0 HB ILE A 15 3.096 -2.765 -1.544 1.00 64.43 H new ATOM 0 HG12 ILE A 15 1.504 -1.079 -1.263 1.00 62.42 H new ATOM 0 HG13 ILE A 15 1.241 -1.614 -2.911 1.00 62.42 H new ATOM 0 HG21 ILE A 15 2.134 -3.528 -3.747 1.00 32.43 H new ATOM 0 HG22 ILE A 15 2.700 -4.874 -2.730 1.00 32.43 H new ATOM 0 HG23 ILE A 15 0.960 -4.519 -2.850 1.00 32.43 H new ATOM 0 HD11 ILE A 15 -0.895 -1.219 -1.767 1.00 71.35 H new ATOM 0 HD12 ILE A 15 -0.725 -2.942 -2.181 1.00 71.35 H new ATOM 0 HD13 ILE A 15 -0.458 -2.398 -0.507 1.00 71.35 H new ATOM 228 N GLN A 16 2.355 -6.112 0.474 1.00 72.10 N ATOM 229 CA GLN A 16 3.215 -7.227 0.839 1.00 4.24 C ATOM 230 C GLN A 16 3.866 -7.820 -0.415 1.00 61.03 C ATOM 231 O GLN A 16 3.255 -7.911 -1.481 1.00 64.51 O ATOM 232 CB GLN A 16 2.423 -8.302 1.606 1.00 65.12 C ATOM 233 CG GLN A 16 3.280 -8.994 2.676 1.00 51.41 C ATOM 234 CD GLN A 16 2.551 -10.114 3.423 1.00 60.42 C ATOM 235 OE1 GLN A 16 1.761 -10.846 2.836 1.00 0.35 O ATOM 236 NE2 GLN A 16 2.861 -10.302 4.697 1.00 33.41 N ATOM 0 H GLN A 16 1.359 -6.302 0.586 1.00 72.10 H new ATOM 0 HA GLN A 16 4.001 -6.859 1.499 1.00 4.24 H new ATOM 0 HB2 GLN A 16 1.554 -7.844 2.078 1.00 65.12 H new ATOM 0 HB3 GLN A 16 2.049 -9.047 0.904 1.00 65.12 H new ATOM 0 HG2 GLN A 16 4.172 -9.406 2.203 1.00 51.41 H new ATOM 0 HG3 GLN A 16 3.616 -8.249 3.397 1.00 51.41 H new ATOM 0 HE21 GLN A 16 3.522 -9.677 5.159 1.00 33.41 H new ATOM 0 HE22 GLN A 16 2.439 -11.072 5.216 1.00 33.41 H new ATOM 245 N GLY A 17 5.102 -8.309 -0.280 1.00 12.13 N ATOM 246 CA GLY A 17 5.819 -8.996 -1.356 1.00 61.51 C ATOM 247 C GLY A 17 5.556 -10.513 -1.362 1.00 4.33 C ATOM 248 O GLY A 17 6.392 -11.292 -1.828 1.00 51.34 O ATOM 0 H GLY A 17 5.636 -8.238 0.586 1.00 12.13 H new ATOM 0 HA2 GLY A 17 5.519 -8.574 -2.315 1.00 61.51 H new ATOM 0 HA3 GLY A 17 6.889 -8.816 -1.249 1.00 61.51 H new ATOM 252 N LEU A 18 4.407 -10.922 -0.817 1.00 34.44 N ATOM 253 CA LEU A 18 3.793 -12.226 -0.920 1.00 32.54 C ATOM 254 C LEU A 18 2.504 -12.043 -1.716 1.00 23.52 C ATOM 255 O LEU A 18 1.806 -11.037 -1.540 1.00 33.53 O ATOM 256 CB LEU A 18 3.435 -12.686 0.498 1.00 70.21 C ATOM 257 CG LEU A 18 4.261 -13.869 1.005 1.00 54.20 C ATOM 258 CD1 LEU A 18 5.756 -13.560 1.160 1.00 62.10 C ATOM 259 CD2 LEU A 18 3.677 -14.180 2.374 1.00 74.45 C ATOM 0 H LEU A 18 3.845 -10.289 -0.248 1.00 34.44 H new ATOM 0 HA LEU A 18 4.450 -12.953 -1.397 1.00 32.54 H new ATOM 0 HB2 LEU A 18 3.565 -11.848 1.183 1.00 70.21 H new ATOM 0 HB3 LEU A 18 2.380 -12.958 0.523 1.00 70.21 H new ATOM 0 HG LEU A 18 4.208 -14.691 0.291 1.00 54.20 H new ATOM 0 HD11 LEU A 18 6.275 -14.447 1.523 1.00 62.10 H new ATOM 0 HD12 LEU A 18 6.169 -13.268 0.195 1.00 62.10 H new ATOM 0 HD13 LEU A 18 5.887 -12.746 1.872 1.00 62.10 H new ATOM 0 HD21 LEU A 18 4.212 -15.021 2.815 1.00 74.45 H new ATOM 0 HD22 LEU A 18 3.778 -13.307 3.019 1.00 74.45 H new ATOM 0 HD23 LEU A 18 2.622 -14.435 2.270 1.00 74.45 H new ATOM 271 N THR A 19 2.149 -13.029 -2.536 1.00 3.41 N ATOM 272 CA THR A 19 0.828 -13.071 -3.138 1.00 25.21 C ATOM 273 C THR A 19 -0.183 -13.512 -2.073 1.00 43.21 C ATOM 274 O THR A 19 0.180 -14.035 -1.013 1.00 5.12 O ATOM 275 CB THR A 19 0.807 -13.950 -4.409 1.00 2.11 C ATOM 276 OG1 THR A 19 0.796 -15.340 -4.141 1.00 70.14 O ATOM 277 CG2 THR A 19 2.009 -13.689 -5.329 1.00 71.22 C ATOM 0 H THR A 19 2.758 -13.805 -2.795 1.00 3.41 H new ATOM 0 HA THR A 19 0.544 -12.077 -3.483 1.00 25.21 H new ATOM 0 HB THR A 19 -0.124 -13.663 -4.897 1.00 2.11 H new ATOM 0 HG1 THR A 19 0.781 -15.836 -4.986 1.00 70.14 H new ATOM 0 HG21 THR A 19 1.943 -14.333 -6.206 1.00 71.22 H new ATOM 0 HG22 THR A 19 2.006 -12.646 -5.644 1.00 71.22 H new ATOM 0 HG23 THR A 19 2.932 -13.903 -4.791 1.00 71.22 H new ATOM 285 N ARG A 20 -1.470 -13.376 -2.377 1.00 32.34 N ATOM 286 CA ARG A 20 -2.570 -13.864 -1.556 1.00 34.32 C ATOM 287 C ARG A 20 -2.547 -15.373 -1.324 1.00 52.23 C ATOM 288 O ARG A 20 -3.099 -15.863 -0.347 1.00 14.32 O ATOM 289 CB ARG A 20 -3.902 -13.410 -2.156 1.00 25.23 C ATOM 290 CG ARG A 20 -4.174 -13.896 -3.585 1.00 34.22 C ATOM 291 CD ARG A 20 -5.412 -13.207 -4.157 1.00 4.41 C ATOM 292 NE ARG A 20 -6.673 -13.845 -3.743 1.00 1.05 N ATOM 293 CZ ARG A 20 -7.791 -13.887 -4.481 1.00 50.34 C ATOM 294 NH1 ARG A 20 -7.902 -13.158 -5.592 1.00 72.02 N ATOM 295 NH2 ARG A 20 -8.792 -14.668 -4.097 1.00 43.41 N ATOM 0 H ARG A 20 -1.784 -12.909 -3.227 1.00 32.34 H new ATOM 0 HA ARG A 20 -2.446 -13.425 -0.566 1.00 34.32 H new ATOM 0 HB2 ARG A 20 -4.710 -13.757 -1.511 1.00 25.23 H new ATOM 0 HB3 ARG A 20 -3.933 -12.320 -2.148 1.00 25.23 H new ATOM 0 HG2 ARG A 20 -3.310 -13.688 -4.217 1.00 34.22 H new ATOM 0 HG3 ARG A 20 -4.318 -14.976 -3.587 1.00 34.22 H new ATOM 0 HD2 ARG A 20 -5.419 -12.164 -3.840 1.00 4.41 H new ATOM 0 HD3 ARG A 20 -5.351 -13.209 -5.245 1.00 4.41 H new ATOM 0 HE ARG A 20 -6.697 -14.289 -2.825 1.00 1.05 H new ATOM 0 HH11 ARG A 20 -7.131 -12.560 -5.889 1.00 72.02 H new ATOM 0 HH12 ARG A 20 -8.758 -13.199 -6.145 1.00 72.02 H new ATOM 0 HH21 ARG A 20 -8.706 -15.228 -3.249 1.00 43.41 H new ATOM 0 HH22 ARG A 20 -9.648 -14.709 -4.650 1.00 43.41 H new ATOM 309 N ALA A 21 -1.863 -16.109 -2.197 1.00 24.11 N ATOM 310 CA ALA A 21 -1.650 -17.543 -2.080 1.00 40.31 C ATOM 311 C ALA A 21 -0.464 -17.886 -1.168 1.00 51.04 C ATOM 312 O ALA A 21 -0.060 -19.048 -1.129 1.00 65.05 O ATOM 313 CB ALA A 21 -1.463 -18.119 -3.484 1.00 44.13 C ATOM 0 H ALA A 21 -1.430 -15.708 -3.029 1.00 24.11 H new ATOM 0 HA ALA A 21 -2.523 -17.993 -1.608 1.00 40.31 H new ATOM 0 HB1 ALA A 21 -1.302 -19.195 -3.417 1.00 44.13 H new ATOM 0 HB2 ALA A 21 -2.354 -17.922 -4.080 1.00 44.13 H new ATOM 0 HB3 ALA A 21 -0.600 -17.651 -3.957 1.00 44.13 H new ATOM 319 N GLY A 22 0.132 -16.914 -0.473 1.00 61.34 N ATOM 320 CA GLY A 22 1.181 -17.164 0.505 1.00 74.14 C ATOM 321 C GLY A 22 2.471 -17.686 -0.120 1.00 51.53 C ATOM 322 O GLY A 22 3.147 -18.532 0.461 1.00 31.25 O ATOM 0 H GLY A 22 -0.105 -15.927 -0.577 1.00 61.34 H new ATOM 0 HA2 GLY A 22 1.394 -16.241 1.045 1.00 74.14 H new ATOM 0 HA3 GLY A 22 0.821 -17.886 1.238 1.00 74.14 H new ATOM 326 N LYS A 23 2.823 -17.217 -1.316 1.00 45.34 N ATOM 327 CA LYS A 23 4.111 -17.464 -1.940 1.00 53.20 C ATOM 328 C LYS A 23 4.756 -16.124 -2.294 1.00 73.23 C ATOM 329 O LYS A 23 4.028 -15.198 -2.656 1.00 75.33 O ATOM 330 CB LYS A 23 3.912 -18.349 -3.175 1.00 64.20 C ATOM 331 CG LYS A 23 3.906 -19.850 -2.838 1.00 33.50 C ATOM 332 CD LYS A 23 2.565 -20.509 -2.477 1.00 11.25 C ATOM 333 CE LYS A 23 2.680 -22.042 -2.607 1.00 34.54 C ATOM 334 NZ LYS A 23 1.762 -22.782 -1.708 1.00 72.05 N ATOM 0 H LYS A 23 2.203 -16.642 -1.887 1.00 45.34 H new ATOM 0 HA LYS A 23 4.779 -17.990 -1.258 1.00 53.20 H new ATOM 0 HB2 LYS A 23 2.971 -18.086 -3.657 1.00 64.20 H new ATOM 0 HB3 LYS A 23 4.706 -18.146 -3.894 1.00 64.20 H new ATOM 0 HG2 LYS A 23 4.320 -20.385 -3.693 1.00 33.50 H new ATOM 0 HG3 LYS A 23 4.589 -20.006 -2.003 1.00 33.50 H new ATOM 0 HD2 LYS A 23 2.281 -20.242 -1.459 1.00 11.25 H new ATOM 0 HD3 LYS A 23 1.779 -20.138 -3.135 1.00 11.25 H new ATOM 0 HE2 LYS A 23 2.474 -22.328 -3.639 1.00 34.54 H new ATOM 0 HE3 LYS A 23 3.706 -22.341 -2.392 1.00 34.54 H new ATOM 0 HZ1 LYS A 23 1.891 -23.805 -1.846 1.00 72.05 H new ATOM 0 HZ2 LYS A 23 1.972 -22.537 -0.719 1.00 72.05 H new ATOM 0 HZ3 LYS A 23 0.779 -22.524 -1.927 1.00 72.05 H new ATOM 348 N PRO A 24 6.089 -15.986 -2.201 1.00 62.33 N ATOM 349 CA PRO A 24 6.768 -14.722 -2.432 1.00 13.40 C ATOM 350 C PRO A 24 6.791 -14.386 -3.920 1.00 14.55 C ATOM 351 O PRO A 24 7.149 -15.216 -4.764 1.00 42.04 O ATOM 352 CB PRO A 24 8.169 -14.883 -1.848 1.00 4.32 C ATOM 353 CG PRO A 24 8.426 -16.382 -1.943 1.00 1.15 C ATOM 354 CD PRO A 24 7.041 -17.007 -1.800 1.00 33.54 C ATOM 0 HA PRO A 24 6.254 -13.889 -1.953 1.00 13.40 H new ATOM 0 HB2 PRO A 24 8.907 -14.313 -2.413 1.00 4.32 H new ATOM 0 HB3 PRO A 24 8.216 -14.533 -0.817 1.00 4.32 H new ATOM 0 HG2 PRO A 24 8.887 -16.648 -2.894 1.00 1.15 H new ATOM 0 HG3 PRO A 24 9.100 -16.722 -1.156 1.00 1.15 H new ATOM 0 HD2 PRO A 24 6.948 -17.893 -2.428 1.00 33.54 H new ATOM 0 HD3 PRO A 24 6.862 -17.324 -0.773 1.00 33.54 H new ATOM 362 N PHE A 25 6.431 -13.146 -4.240 1.00 34.53 N ATOM 363 CA PHE A 25 6.510 -12.614 -5.592 1.00 41.14 C ATOM 364 C PHE A 25 7.988 -12.419 -5.959 1.00 14.20 C ATOM 365 O PHE A 25 8.855 -12.456 -5.082 1.00 64.31 O ATOM 366 CB PHE A 25 5.701 -11.314 -5.627 1.00 31.23 C ATOM 367 CG PHE A 25 5.639 -10.595 -6.957 1.00 31.31 C ATOM 368 CD1 PHE A 25 5.151 -11.254 -8.103 1.00 0.44 C ATOM 369 CD2 PHE A 25 6.042 -9.249 -7.042 1.00 15.35 C ATOM 370 CE1 PHE A 25 5.106 -10.575 -9.332 1.00 11.33 C ATOM 371 CE2 PHE A 25 5.988 -8.568 -8.269 1.00 24.13 C ATOM 372 CZ PHE A 25 5.533 -9.238 -9.416 1.00 21.01 C ATOM 0 H PHE A 25 6.073 -12.477 -3.558 1.00 34.53 H new ATOM 0 HA PHE A 25 6.088 -13.292 -6.334 1.00 41.14 H new ATOM 0 HB2 PHE A 25 4.682 -11.537 -5.312 1.00 31.23 H new ATOM 0 HB3 PHE A 25 6.120 -10.631 -4.889 1.00 31.23 H new ATOM 0 HD1 PHE A 25 4.813 -12.278 -8.037 1.00 0.44 H new ATOM 0 HD2 PHE A 25 6.395 -8.737 -6.159 1.00 15.35 H new ATOM 0 HE1 PHE A 25 4.743 -11.081 -10.214 1.00 11.33 H new ATOM 0 HE2 PHE A 25 6.295 -7.534 -8.330 1.00 24.13 H new ATOM 0 HZ PHE A 25 5.511 -8.725 -10.366 1.00 21.01 H new ATOM 382 N ARG A 26 8.298 -12.226 -7.245 1.00 3.31 N ATOM 383 CA ARG A 26 9.636 -11.852 -7.706 1.00 23.24 C ATOM 384 C ARG A 26 9.499 -10.643 -8.642 1.00 33.20 C ATOM 385 O ARG A 26 8.454 -10.470 -9.273 1.00 31.13 O ATOM 386 CB ARG A 26 10.359 -13.004 -8.442 1.00 13.32 C ATOM 387 CG ARG A 26 11.462 -13.754 -7.675 1.00 42.23 C ATOM 388 CD ARG A 26 10.946 -14.776 -6.658 1.00 33.45 C ATOM 389 NE ARG A 26 11.983 -15.778 -6.349 1.00 62.34 N ATOM 390 CZ ARG A 26 12.655 -15.957 -5.206 1.00 34.51 C ATOM 391 NH1 ARG A 26 12.561 -15.129 -4.175 1.00 15.21 N ATOM 392 NH2 ARG A 26 13.451 -17.005 -5.093 1.00 44.11 N ATOM 0 H ARG A 26 7.620 -12.326 -8.001 1.00 3.31 H new ATOM 0 HA ARG A 26 10.243 -11.611 -6.833 1.00 23.24 H new ATOM 0 HB2 ARG A 26 9.608 -13.732 -8.748 1.00 13.32 H new ATOM 0 HB3 ARG A 26 10.799 -12.598 -9.353 1.00 13.32 H new ATOM 0 HG2 ARG A 26 12.102 -14.266 -8.393 1.00 42.23 H new ATOM 0 HG3 ARG A 26 12.085 -13.026 -7.155 1.00 42.23 H new ATOM 0 HD2 ARG A 26 10.644 -14.265 -5.744 1.00 33.45 H new ATOM 0 HD3 ARG A 26 10.060 -15.273 -7.053 1.00 33.45 H new ATOM 0 HE ARG A 26 12.219 -16.419 -7.106 1.00 62.34 H new ATOM 0 HH11 ARG A 26 11.955 -14.311 -4.232 1.00 15.21 H new ATOM 0 HH12 ARG A 26 13.095 -15.310 -3.325 1.00 15.21 H new ATOM 0 HH21 ARG A 26 13.545 -17.660 -5.869 1.00 44.11 H new ATOM 0 HH22 ARG A 26 13.972 -17.159 -4.230 1.00 44.11 H new ATOM 406 N PRO A 27 10.561 -9.854 -8.836 1.00 40.13 N ATOM 407 CA PRO A 27 11.854 -10.028 -8.205 1.00 24.42 C ATOM 408 C PRO A 27 11.784 -9.627 -6.737 1.00 35.53 C ATOM 409 O PRO A 27 10.842 -8.950 -6.324 1.00 31.20 O ATOM 410 CB PRO A 27 12.784 -9.080 -8.956 1.00 24.10 C ATOM 411 CG PRO A 27 11.860 -7.951 -9.383 1.00 4.25 C ATOM 412 CD PRO A 27 10.570 -8.691 -9.699 1.00 33.12 C ATOM 0 HA PRO A 27 12.193 -11.063 -8.242 1.00 24.42 H new ATOM 0 HB2 PRO A 27 13.592 -8.720 -8.319 1.00 24.10 H new ATOM 0 HB3 PRO A 27 13.248 -9.567 -9.814 1.00 24.10 H new ATOM 0 HG2 PRO A 27 11.723 -7.215 -8.590 1.00 4.25 H new ATOM 0 HG3 PRO A 27 12.245 -7.416 -10.251 1.00 4.25 H new ATOM 0 HD2 PRO A 27 9.701 -8.059 -9.513 1.00 33.12 H new ATOM 0 HD3 PRO A 27 10.533 -8.983 -10.749 1.00 33.12 H new ATOM 420 N SER A 28 12.795 -9.980 -5.950 1.00 61.21 N ATOM 421 CA SER A 28 12.899 -9.482 -4.586 1.00 31.43 C ATOM 422 C SER A 28 13.148 -7.964 -4.540 1.00 54.21 C ATOM 423 O SER A 28 13.015 -7.369 -3.477 1.00 64.22 O ATOM 424 CB SER A 28 13.947 -10.296 -3.810 1.00 44.12 C ATOM 425 OG SER A 28 15.000 -10.789 -4.624 1.00 44.43 O ATOM 0 H SER A 28 13.549 -10.606 -6.232 1.00 61.21 H new ATOM 0 HA SER A 28 11.941 -9.624 -4.087 1.00 31.43 H new ATOM 0 HB2 SER A 28 14.369 -9.672 -3.023 1.00 44.12 H new ATOM 0 HB3 SER A 28 13.453 -11.136 -3.321 1.00 44.12 H new ATOM 0 HG SER A 28 15.632 -11.295 -4.071 1.00 44.43 H new ATOM 431 N ASP A 29 13.447 -7.316 -5.670 1.00 23.10 N ATOM 432 CA ASP A 29 13.712 -5.877 -5.750 1.00 12.32 C ATOM 433 C ASP A 29 12.461 -5.055 -6.092 1.00 14.01 C ATOM 434 O ASP A 29 12.554 -3.842 -6.285 1.00 53.24 O ATOM 435 CB ASP A 29 14.786 -5.624 -6.818 1.00 72.33 C ATOM 436 CG ASP A 29 15.749 -4.490 -6.453 1.00 73.35 C ATOM 437 OD1 ASP A 29 16.092 -4.307 -5.265 1.00 5.32 O ATOM 438 OD2 ASP A 29 16.382 -3.953 -7.386 1.00 40.02 O ATOM 0 H ASP A 29 13.513 -7.787 -6.572 1.00 23.10 H new ATOM 0 HA ASP A 29 14.050 -5.555 -4.765 1.00 12.32 H new ATOM 0 HB2 ASP A 29 15.356 -6.540 -6.974 1.00 72.33 H new ATOM 0 HB3 ASP A 29 14.299 -5.387 -7.764 1.00 72.33 H new ATOM 443 N TRP A 30 11.283 -5.686 -6.233 1.00 71.24 N ATOM 444 CA TRP A 30 10.100 -5.006 -6.778 1.00 65.33 C ATOM 445 C TRP A 30 9.720 -3.778 -5.943 1.00 14.53 C ATOM 446 O TRP A 30 9.334 -2.738 -6.484 1.00 44.11 O ATOM 447 CB TRP A 30 8.915 -5.980 -6.921 1.00 11.23 C ATOM 448 CG TRP A 30 8.163 -6.318 -5.663 1.00 30.42 C ATOM 449 CD1 TRP A 30 8.330 -7.423 -4.898 1.00 34.01 C ATOM 450 CD2 TRP A 30 7.132 -5.527 -4.993 1.00 40.00 C ATOM 451 NE1 TRP A 30 7.478 -7.376 -3.817 1.00 11.05 N ATOM 452 CE2 TRP A 30 6.706 -6.233 -3.829 1.00 23.14 C ATOM 453 CE3 TRP A 30 6.557 -4.255 -5.219 1.00 52.12 C ATOM 454 CZ2 TRP A 30 5.769 -5.697 -2.935 1.00 14.43 C ATOM 455 CZ3 TRP A 30 5.617 -3.709 -4.329 1.00 14.11 C ATOM 456 CH2 TRP A 30 5.241 -4.424 -3.183 1.00 62.05 C ATOM 0 H TRP A 30 11.127 -6.661 -5.978 1.00 71.24 H new ATOM 0 HA TRP A 30 10.357 -4.650 -7.776 1.00 65.33 H new ATOM 0 HB2 TRP A 30 8.210 -5.555 -7.635 1.00 11.23 H new ATOM 0 HB3 TRP A 30 9.288 -6.908 -7.354 1.00 11.23 H new ATOM 0 HD1 TRP A 30 9.027 -8.222 -5.105 1.00 34.01 H new ATOM 0 HE1 TRP A 30 7.425 -8.097 -3.097 1.00 11.05 H new ATOM 0 HE3 TRP A 30 6.846 -3.692 -6.094 1.00 52.12 H new ATOM 0 HZ2 TRP A 30 5.458 -6.258 -2.066 1.00 14.43 H new ATOM 0 HZ3 TRP A 30 5.184 -2.739 -4.527 1.00 14.11 H new ATOM 0 HH2 TRP A 30 4.539 -3.990 -2.486 1.00 62.05 H new ATOM 467 N VAL A 31 9.845 -3.892 -4.617 1.00 52.30 N ATOM 468 CA VAL A 31 9.564 -2.808 -3.690 1.00 15.13 C ATOM 469 C VAL A 31 10.525 -1.662 -3.947 1.00 1.40 C ATOM 470 O VAL A 31 10.096 -0.513 -3.929 1.00 75.14 O ATOM 471 CB VAL A 31 9.683 -3.304 -2.236 1.00 73.12 C ATOM 472 CG1 VAL A 31 9.680 -2.168 -1.203 1.00 43.40 C ATOM 473 CG2 VAL A 31 8.532 -4.250 -1.911 1.00 42.00 C ATOM 0 H VAL A 31 10.148 -4.752 -4.159 1.00 52.30 H new ATOM 0 HA VAL A 31 8.544 -2.456 -3.844 1.00 15.13 H new ATOM 0 HB VAL A 31 10.645 -3.813 -2.169 1.00 73.12 H new ATOM 0 HG11 VAL A 31 9.767 -2.587 -0.201 1.00 43.40 H new ATOM 0 HG12 VAL A 31 10.522 -1.502 -1.392 1.00 43.40 H new ATOM 0 HG13 VAL A 31 8.749 -1.607 -1.282 1.00 43.40 H new ATOM 0 HG21 VAL A 31 8.625 -4.595 -0.881 1.00 42.00 H new ATOM 0 HG22 VAL A 31 7.584 -3.726 -2.034 1.00 42.00 H new ATOM 0 HG23 VAL A 31 8.563 -5.106 -2.585 1.00 42.00 H new ATOM 483 N ASP A 32 11.810 -1.950 -4.155 1.00 54.02 N ATOM 484 CA ASP A 32 12.833 -0.924 -4.280 1.00 41.44 C ATOM 485 C ASP A 32 12.540 -0.083 -5.506 1.00 63.14 C ATOM 486 O ASP A 32 12.638 1.140 -5.433 1.00 2.14 O ATOM 487 CB ASP A 32 14.224 -1.556 -4.377 1.00 44.14 C ATOM 488 CG ASP A 32 15.061 -1.233 -3.137 1.00 75.13 C ATOM 489 OD1 ASP A 32 14.846 -1.842 -2.066 1.00 35.14 O ATOM 490 OD2 ASP A 32 15.922 -0.326 -3.181 1.00 22.42 O ATOM 0 H ASP A 32 12.166 -2.902 -4.241 1.00 54.02 H new ATOM 0 HA ASP A 32 12.820 -0.289 -3.394 1.00 41.44 H new ATOM 0 HB2 ASP A 32 14.130 -2.637 -4.485 1.00 44.14 H new ATOM 0 HB3 ASP A 32 14.732 -1.190 -5.269 1.00 44.14 H new ATOM 495 N ARG A 33 12.126 -0.722 -6.605 1.00 64.14 N ATOM 496 CA ARG A 33 11.682 -0.019 -7.799 1.00 12.24 C ATOM 497 C ARG A 33 10.509 0.891 -7.480 1.00 24.33 C ATOM 498 O ARG A 33 10.568 2.074 -7.809 1.00 10.22 O ATOM 499 CB ARG A 33 11.318 -0.994 -8.926 1.00 4.35 C ATOM 500 CG ARG A 33 12.560 -1.660 -9.536 1.00 64.32 C ATOM 501 CD ARG A 33 12.405 -1.752 -11.056 1.00 3.41 C ATOM 502 NE ARG A 33 13.644 -2.170 -11.725 1.00 14.44 N ATOM 503 CZ ARG A 33 13.752 -2.352 -13.044 1.00 32.32 C ATOM 504 NH1 ARG A 33 12.684 -2.251 -13.827 1.00 35.51 N ATOM 505 NH2 ARG A 33 14.923 -2.650 -13.581 1.00 74.11 N ATOM 0 H ARG A 33 12.092 -1.738 -6.686 1.00 64.14 H new ATOM 0 HA ARG A 33 12.513 0.594 -8.148 1.00 12.24 H new ATOM 0 HB2 ARG A 33 10.649 -1.762 -8.538 1.00 4.35 H new ATOM 0 HB3 ARG A 33 10.774 -0.460 -9.705 1.00 4.35 H new ATOM 0 HG2 ARG A 33 13.452 -1.085 -9.286 1.00 64.32 H new ATOM 0 HG3 ARG A 33 12.694 -2.656 -9.114 1.00 64.32 H new ATOM 0 HD2 ARG A 33 11.611 -2.460 -11.295 1.00 3.41 H new ATOM 0 HD3 ARG A 33 12.095 -0.782 -11.445 1.00 3.41 H new ATOM 0 HE ARG A 33 14.470 -2.331 -11.149 1.00 14.44 H new ATOM 0 HH11 ARG A 33 11.774 -2.033 -13.422 1.00 35.51 H new ATOM 0 HH12 ARG A 33 12.774 -2.391 -14.833 1.00 35.51 H new ATOM 0 HH21 ARG A 33 15.748 -2.742 -12.988 1.00 74.11 H new ATOM 0 HH22 ARG A 33 15.002 -2.788 -14.589 1.00 74.11 H new ATOM 519 N MET A 34 9.444 0.377 -6.862 1.00 55.33 N ATOM 520 CA MET A 34 8.249 1.201 -6.653 1.00 44.22 C ATOM 521 C MET A 34 8.555 2.359 -5.696 1.00 43.53 C ATOM 522 O MET A 34 8.274 3.506 -6.028 1.00 22.25 O ATOM 523 CB MET A 34 7.080 0.356 -6.151 1.00 53.12 C ATOM 524 CG MET A 34 6.527 -0.596 -7.208 1.00 32.05 C ATOM 525 SD MET A 34 5.791 0.175 -8.679 1.00 54.21 S ATOM 526 CE MET A 34 4.129 0.541 -8.050 1.00 32.24 C ATOM 0 H MET A 34 9.381 -0.577 -6.506 1.00 55.33 H new ATOM 0 HA MET A 34 7.954 1.627 -7.612 1.00 44.22 H new ATOM 0 HB2 MET A 34 7.403 -0.222 -5.285 1.00 53.12 H new ATOM 0 HB3 MET A 34 6.282 1.017 -5.813 1.00 53.12 H new ATOM 0 HG2 MET A 34 7.334 -1.252 -7.533 1.00 32.05 H new ATOM 0 HG3 MET A 34 5.772 -1.227 -6.739 1.00 32.05 H new ATOM 0 HE1 MET A 34 3.457 0.733 -8.887 1.00 32.24 H new ATOM 0 HE2 MET A 34 3.761 -0.310 -7.478 1.00 32.24 H new ATOM 0 HE3 MET A 34 4.169 1.420 -7.407 1.00 32.24 H new ATOM 536 N CYS A 35 9.212 2.096 -4.564 1.00 31.05 N ATOM 537 CA CYS A 35 9.680 3.094 -3.601 1.00 12.24 C ATOM 538 C CYS A 35 10.526 4.166 -4.344 1.00 72.12 C ATOM 539 O CYS A 35 10.393 5.368 -4.100 1.00 24.45 O ATOM 540 CB CYS A 35 10.525 2.343 -2.553 1.00 5.34 C ATOM 541 SG CYS A 35 10.453 3.126 -0.927 1.00 41.20 S ATOM 0 H CYS A 35 9.442 1.143 -4.282 1.00 31.05 H new ATOM 0 HA CYS A 35 8.852 3.608 -3.112 1.00 12.24 H new ATOM 0 HB2 CYS A 35 10.173 1.314 -2.475 1.00 5.34 H new ATOM 0 HB3 CYS A 35 11.561 2.300 -2.888 1.00 5.34 H new ATOM 0 HG CYS A 35 11.459 3.938 -0.791 1.00 41.20 H new ATOM 547 N SER A 36 11.395 3.747 -5.282 1.00 31.24 N ATOM 548 CA SER A 36 12.223 4.641 -6.096 1.00 0.50 C ATOM 549 C SER A 36 11.447 5.411 -7.178 1.00 75.34 C ATOM 550 O SER A 36 11.927 6.437 -7.651 1.00 72.42 O ATOM 551 CB SER A 36 13.340 3.882 -6.799 1.00 64.04 C ATOM 552 OG SER A 36 14.194 3.184 -5.912 1.00 35.20 O ATOM 0 H SER A 36 11.540 2.760 -5.495 1.00 31.24 H new ATOM 0 HA SER A 36 12.619 5.358 -5.377 1.00 0.50 H new ATOM 0 HB2 SER A 36 12.901 3.173 -7.501 1.00 64.04 H new ATOM 0 HB3 SER A 36 13.933 4.584 -7.384 1.00 64.04 H new ATOM 0 HG SER A 36 13.675 2.520 -5.412 1.00 35.20 H new ATOM 558 N THR A 37 10.268 4.950 -7.595 1.00 61.03 N ATOM 559 CA THR A 37 9.480 5.565 -8.668 1.00 45.43 C ATOM 560 C THR A 37 8.812 6.870 -8.203 1.00 23.44 C ATOM 561 O THR A 37 8.177 7.568 -8.992 1.00 11.51 O ATOM 562 CB THR A 37 8.499 4.504 -9.199 1.00 71.33 C ATOM 563 OG1 THR A 37 9.274 3.433 -9.713 1.00 3.14 O ATOM 564 CG2 THR A 37 7.596 4.961 -10.345 1.00 44.02 C ATOM 0 H THR A 37 9.824 4.125 -7.191 1.00 61.03 H new ATOM 0 HA THR A 37 10.120 5.877 -9.494 1.00 45.43 H new ATOM 0 HB THR A 37 7.851 4.249 -8.361 1.00 71.33 H new ATOM 0 HG1 THR A 37 9.636 2.905 -8.971 1.00 3.14 H new ATOM 0 HG21 THR A 37 6.944 4.140 -10.644 1.00 44.02 H new ATOM 0 HG22 THR A 37 6.989 5.804 -10.016 1.00 44.02 H new ATOM 0 HG23 THR A 37 8.210 5.265 -11.193 1.00 44.02 H new ATOM 572 N TYR A 38 8.992 7.226 -6.931 1.00 24.22 N ATOM 573 CA TYR A 38 8.447 8.418 -6.306 1.00 60.34 C ATOM 574 C TYR A 38 9.558 9.213 -5.620 1.00 63.41 C ATOM 575 O TYR A 38 9.304 9.980 -4.686 1.00 72.55 O ATOM 576 CB TYR A 38 7.315 7.961 -5.381 1.00 73.01 C ATOM 577 CG TYR A 38 6.169 7.418 -6.206 1.00 64.44 C ATOM 578 CD1 TYR A 38 5.317 8.340 -6.828 1.00 12.22 C ATOM 579 CD2 TYR A 38 6.020 6.037 -6.457 1.00 41.15 C ATOM 580 CE1 TYR A 38 4.313 7.906 -7.702 1.00 23.25 C ATOM 581 CE2 TYR A 38 5.004 5.592 -7.327 1.00 2.34 C ATOM 582 CZ TYR A 38 4.154 6.532 -7.957 1.00 61.41 C ATOM 583 OH TYR A 38 3.202 6.146 -8.842 1.00 74.04 O ATOM 0 H TYR A 38 9.546 6.663 -6.286 1.00 24.22 H new ATOM 0 HA TYR A 38 8.025 9.115 -7.030 1.00 60.34 H new ATOM 0 HB2 TYR A 38 7.679 7.194 -4.697 1.00 73.01 H new ATOM 0 HB3 TYR A 38 6.972 8.796 -4.770 1.00 73.01 H new ATOM 0 HD1 TYR A 38 5.436 9.395 -6.631 1.00 12.22 H new ATOM 0 HD2 TYR A 38 6.681 5.325 -5.985 1.00 41.15 H new ATOM 0 HE1 TYR A 38 3.663 8.624 -8.179 1.00 23.25 H new ATOM 0 HE2 TYR A 38 4.875 4.536 -7.512 1.00 2.34 H new ATOM 0 HH TYR A 38 2.355 6.005 -8.370 1.00 74.04 H new ATOM 593 N ALA A 39 10.803 8.998 -6.044 1.00 43.11 N ATOM 594 CA ALA A 39 12.013 9.419 -5.369 1.00 40.42 C ATOM 595 C ALA A 39 12.773 10.453 -6.204 1.00 62.41 C ATOM 596 O ALA A 39 12.439 10.687 -7.366 1.00 43.22 O ATOM 597 CB ALA A 39 12.840 8.153 -5.144 1.00 32.02 C ATOM 0 H ALA A 39 10.996 8.499 -6.913 1.00 43.11 H new ATOM 0 HA ALA A 39 11.791 9.906 -4.419 1.00 40.42 H new ATOM 0 HB1 ALA A 39 13.769 8.411 -4.636 1.00 32.02 H new ATOM 0 HB2 ALA A 39 12.273 7.452 -4.531 1.00 32.02 H new ATOM 0 HB3 ALA A 39 13.068 7.692 -6.105 1.00 32.02 H new ATOM 603 N SER A 40 13.822 11.022 -5.615 1.00 61.44 N ATOM 604 CA SER A 40 14.758 11.928 -6.278 1.00 31.14 C ATOM 605 C SER A 40 16.147 11.731 -5.695 1.00 34.41 C ATOM 606 O SER A 40 16.291 11.362 -4.529 1.00 4.00 O ATOM 607 CB SER A 40 14.336 13.384 -6.035 1.00 23.33 C ATOM 608 OG SER A 40 13.263 13.749 -6.873 1.00 45.42 O ATOM 0 H SER A 40 14.051 10.861 -4.634 1.00 61.44 H new ATOM 0 HA SER A 40 14.759 11.715 -7.347 1.00 31.14 H new ATOM 0 HB2 SER A 40 14.047 13.513 -4.992 1.00 23.33 H new ATOM 0 HB3 SER A 40 15.183 14.046 -6.215 1.00 23.33 H new ATOM 0 HG SER A 40 12.825 12.941 -7.215 1.00 45.42 H new ATOM 614 N PHE A 41 17.181 12.014 -6.483 1.00 51.04 N ATOM 615 CA PHE A 41 18.487 12.332 -5.941 1.00 64.53 C ATOM 616 C PHE A 41 18.369 13.575 -5.072 1.00 15.41 C ATOM 617 O PHE A 41 17.934 14.639 -5.528 1.00 51.03 O ATOM 618 CB PHE A 41 19.510 12.547 -7.061 1.00 14.22 C ATOM 619 CG PHE A 41 20.245 11.307 -7.546 1.00 24.21 C ATOM 620 CD1 PHE A 41 19.763 10.008 -7.294 1.00 23.03 C ATOM 621 CD2 PHE A 41 21.474 11.454 -8.214 1.00 42.50 C ATOM 622 CE1 PHE A 41 20.533 8.883 -7.630 1.00 52.03 C ATOM 623 CE2 PHE A 41 22.236 10.329 -8.570 1.00 61.22 C ATOM 624 CZ PHE A 41 21.774 9.040 -8.264 1.00 5.22 C ATOM 0 H PHE A 41 17.133 12.028 -7.502 1.00 51.04 H new ATOM 0 HA PHE A 41 18.839 11.496 -5.336 1.00 64.53 H new ATOM 0 HB2 PHE A 41 18.997 12.996 -7.912 1.00 14.22 H new ATOM 0 HB3 PHE A 41 20.249 13.270 -6.716 1.00 14.22 H new ATOM 0 HD1 PHE A 41 18.793 9.876 -6.838 1.00 23.03 H new ATOM 0 HD2 PHE A 41 21.836 12.442 -8.456 1.00 42.50 H new ATOM 0 HE1 PHE A 41 20.168 7.893 -7.399 1.00 52.03 H new ATOM 0 HE2 PHE A 41 23.179 10.456 -9.080 1.00 61.22 H new ATOM 0 HZ PHE A 41 22.370 8.175 -8.515 1.00 5.22 H new ATOM 634 N GLY A 42 18.799 13.426 -3.827 1.00 13.21 N ATOM 635 CA GLY A 42 19.135 14.530 -2.953 1.00 21.32 C ATOM 636 C GLY A 42 20.351 15.263 -3.495 1.00 53.22 C ATOM 637 O GLY A 42 21.012 14.807 -4.437 1.00 1.42 O ATOM 0 H GLY A 42 18.925 12.512 -3.391 1.00 13.21 H new ATOM 0 HA2 GLY A 42 18.291 15.215 -2.876 1.00 21.32 H new ATOM 0 HA3 GLY A 42 19.339 14.161 -1.948 1.00 21.32 H new ATOM 641 N ALA A 43 20.652 16.398 -2.868 1.00 63.04 N ATOM 642 CA ALA A 43 21.712 17.294 -3.292 1.00 65.12 C ATOM 643 C ALA A 43 23.093 16.628 -3.353 1.00 32.40 C ATOM 644 O ALA A 43 23.968 17.138 -4.052 1.00 21.42 O ATOM 645 CB ALA A 43 21.728 18.506 -2.361 1.00 15.52 C ATOM 0 H ALA A 43 20.155 16.721 -2.038 1.00 63.04 H new ATOM 0 HA ALA A 43 21.498 17.601 -4.316 1.00 65.12 H new ATOM 0 HB1 ALA A 43 22.520 19.189 -2.667 1.00 15.52 H new ATOM 0 HB2 ALA A 43 20.767 19.018 -2.413 1.00 15.52 H new ATOM 0 HB3 ALA A 43 21.908 18.176 -1.338 1.00 15.52 H new ATOM 651 N ASP A 44 23.311 15.498 -2.672 1.00 60.30 N ATOM 652 CA ASP A 44 24.593 14.788 -2.683 1.00 64.01 C ATOM 653 C ASP A 44 24.698 13.768 -3.826 1.00 60.31 C ATOM 654 O ASP A 44 25.550 12.882 -3.813 1.00 35.11 O ATOM 655 CB ASP A 44 24.861 14.145 -1.315 1.00 52.11 C ATOM 656 CG ASP A 44 26.354 13.982 -1.000 1.00 60.12 C ATOM 657 OD1 ASP A 44 27.231 14.378 -1.806 1.00 44.32 O ATOM 658 OD2 ASP A 44 26.654 13.578 0.147 1.00 54.31 O ATOM 0 H ASP A 44 22.600 15.049 -2.095 1.00 60.30 H new ATOM 0 HA ASP A 44 25.372 15.526 -2.873 1.00 64.01 H new ATOM 0 HB2 ASP A 44 24.398 14.754 -0.539 1.00 52.11 H new ATOM 0 HB3 ASP A 44 24.381 13.167 -1.281 1.00 52.11 H new ATOM 663 N ARG A 45 23.817 13.866 -4.828 1.00 61.05 N ATOM 664 CA ARG A 45 23.660 12.917 -5.934 1.00 54.42 C ATOM 665 C ARG A 45 23.457 11.491 -5.422 1.00 21.54 C ATOM 666 O ARG A 45 24.179 10.571 -5.821 1.00 1.15 O ATOM 667 CB ARG A 45 24.803 12.989 -6.965 1.00 73.34 C ATOM 668 CG ARG A 45 25.092 14.377 -7.537 1.00 20.43 C ATOM 669 CD ARG A 45 26.210 15.094 -6.769 1.00 54.41 C ATOM 670 NE ARG A 45 26.800 16.118 -7.640 1.00 61.13 N ATOM 671 CZ ARG A 45 26.889 17.425 -7.381 1.00 71.22 C ATOM 672 NH1 ARG A 45 26.846 17.874 -6.128 1.00 43.04 N ATOM 673 NH2 ARG A 45 27.011 18.264 -8.406 1.00 31.40 N ATOM 0 H ARG A 45 23.164 14.647 -4.892 1.00 61.05 H new ATOM 0 HA ARG A 45 22.757 13.218 -6.464 1.00 54.42 H new ATOM 0 HB2 ARG A 45 25.713 12.612 -6.498 1.00 73.34 H new ATOM 0 HB3 ARG A 45 24.566 12.318 -7.791 1.00 73.34 H new ATOM 0 HG2 ARG A 45 25.374 14.285 -8.586 1.00 20.43 H new ATOM 0 HG3 ARG A 45 24.184 14.980 -7.502 1.00 20.43 H new ATOM 0 HD2 ARG A 45 25.812 15.552 -5.864 1.00 54.41 H new ATOM 0 HD3 ARG A 45 26.972 14.380 -6.457 1.00 54.41 H new ATOM 0 HE ARG A 45 27.180 15.799 -8.532 1.00 61.13 H new ATOM 0 HH11 ARG A 45 26.744 17.217 -5.354 1.00 43.04 H new ATOM 0 HH12 ARG A 45 26.915 18.875 -5.942 1.00 43.04 H new ATOM 0 HH21 ARG A 45 27.035 17.904 -9.360 1.00 31.40 H new ATOM 0 HH22 ARG A 45 27.081 19.268 -8.238 1.00 31.40 H new ATOM 687 N LYS A 46 22.506 11.280 -4.515 1.00 72.24 N ATOM 688 CA LYS A 46 22.164 9.948 -4.024 1.00 2.54 C ATOM 689 C LYS A 46 20.664 9.940 -3.794 1.00 31.54 C ATOM 690 O LYS A 46 20.118 10.950 -3.343 1.00 60.21 O ATOM 691 CB LYS A 46 22.982 9.648 -2.749 1.00 55.45 C ATOM 692 CG LYS A 46 23.459 8.192 -2.645 1.00 23.35 C ATOM 693 CD LYS A 46 22.403 7.217 -2.114 1.00 2.20 C ATOM 694 CE LYS A 46 22.966 5.800 -2.210 1.00 73.23 C ATOM 695 NZ LYS A 46 22.012 4.789 -1.726 1.00 75.22 N ATOM 0 H LYS A 46 21.951 12.028 -4.100 1.00 72.24 H new ATOM 0 HA LYS A 46 22.413 9.159 -4.734 1.00 2.54 H new ATOM 0 HB2 LYS A 46 23.850 10.307 -2.722 1.00 55.45 H new ATOM 0 HB3 LYS A 46 22.375 9.885 -1.875 1.00 55.45 H new ATOM 0 HG2 LYS A 46 23.782 7.857 -3.631 1.00 23.35 H new ATOM 0 HG3 LYS A 46 24.332 8.154 -1.993 1.00 23.35 H new ATOM 0 HD2 LYS A 46 22.151 7.456 -1.081 1.00 2.20 H new ATOM 0 HD3 LYS A 46 21.484 7.300 -2.694 1.00 2.20 H new ATOM 0 HE2 LYS A 46 23.227 5.584 -3.246 1.00 73.23 H new ATOM 0 HE3 LYS A 46 23.886 5.736 -1.629 1.00 73.23 H new ATOM 0 HZ1 LYS A 46 22.436 3.843 -1.810 1.00 75.22 H new ATOM 0 HZ2 LYS A 46 21.782 4.978 -0.730 1.00 75.22 H new ATOM 0 HZ3 LYS A 46 21.143 4.830 -2.296 1.00 75.22 H new ATOM 709 N LEU A 47 19.995 8.842 -4.153 1.00 52.23 N ATOM 710 CA LEU A 47 18.543 8.714 -4.054 1.00 71.35 C ATOM 711 C LEU A 47 18.067 8.979 -2.622 1.00 42.53 C ATOM 712 O LEU A 47 18.769 8.676 -1.658 1.00 21.02 O ATOM 713 CB LEU A 47 18.086 7.311 -4.523 1.00 64.54 C ATOM 714 CG LEU A 47 17.492 7.241 -5.944 1.00 13.51 C ATOM 715 CD1 LEU A 47 17.076 5.807 -6.262 1.00 61.14 C ATOM 716 CD2 LEU A 47 16.268 8.140 -6.119 1.00 1.32 C ATOM 0 H LEU A 47 20.453 8.009 -4.524 1.00 52.23 H new ATOM 0 HA LEU A 47 18.094 9.462 -4.707 1.00 71.35 H new ATOM 0 HB2 LEU A 47 18.940 6.635 -4.472 1.00 64.54 H new ATOM 0 HB3 LEU A 47 17.342 6.938 -3.819 1.00 64.54 H new ATOM 0 HG LEU A 47 18.271 7.588 -6.623 1.00 13.51 H new ATOM 0 HD11 LEU A 47 16.657 5.764 -7.267 1.00 61.14 H new ATOM 0 HD12 LEU A 47 17.947 5.154 -6.204 1.00 61.14 H new ATOM 0 HD13 LEU A 47 16.327 5.477 -5.542 1.00 61.14 H new ATOM 0 HD21 LEU A 47 15.893 8.050 -7.138 1.00 1.32 H new ATOM 0 HD22 LEU A 47 15.490 7.837 -5.418 1.00 1.32 H new ATOM 0 HD23 LEU A 47 16.547 9.176 -5.926 1.00 1.32 H new ATOM 728 N ARG A 48 16.852 9.513 -2.507 1.00 61.35 N ATOM 729 CA ARG A 48 15.991 9.571 -1.335 1.00 52.01 C ATOM 730 C ARG A 48 14.608 9.197 -1.832 1.00 50.14 C ATOM 731 O ARG A 48 14.085 9.886 -2.721 1.00 43.13 O ATOM 732 CB ARG A 48 15.890 10.995 -0.759 1.00 60.40 C ATOM 733 CG ARG A 48 16.949 11.368 0.283 1.00 35.22 C ATOM 734 CD ARG A 48 18.236 11.884 -0.365 1.00 44.23 C ATOM 735 NE ARG A 48 19.106 12.533 0.629 1.00 62.33 N ATOM 736 CZ ARG A 48 19.023 13.807 1.035 1.00 10.21 C ATOM 737 NH1 ARG A 48 18.131 14.651 0.523 1.00 60.44 N ATOM 738 NH2 ARG A 48 19.842 14.278 1.964 1.00 34.33 N ATOM 0 H ARG A 48 16.407 9.957 -3.310 1.00 61.35 H new ATOM 0 HA ARG A 48 16.386 8.917 -0.558 1.00 52.01 H new ATOM 0 HB2 ARG A 48 15.952 11.706 -1.583 1.00 60.40 H new ATOM 0 HB3 ARG A 48 14.905 11.115 -0.308 1.00 60.40 H new ATOM 0 HG2 ARG A 48 16.548 12.131 0.950 1.00 35.22 H new ATOM 0 HG3 ARG A 48 17.177 10.496 0.896 1.00 35.22 H new ATOM 0 HD2 ARG A 48 18.768 11.056 -0.833 1.00 44.23 H new ATOM 0 HD3 ARG A 48 17.990 12.593 -1.156 1.00 44.23 H new ATOM 0 HE ARG A 48 19.839 11.960 1.047 1.00 62.33 H new ATOM 0 HH11 ARG A 48 17.485 14.334 -0.200 1.00 60.44 H new ATOM 0 HH12 ARG A 48 18.093 15.615 0.853 1.00 60.44 H new ATOM 0 HH21 ARG A 48 20.547 13.668 2.379 1.00 34.33 H new ATOM 0 HH22 ARG A 48 19.768 15.250 2.264 1.00 34.33 H new ATOM 752 N TYR A 49 14.005 8.156 -1.260 1.00 2.14 N ATOM 753 CA TYR A 49 12.603 7.819 -1.490 1.00 23.05 C ATOM 754 C TYR A 49 11.697 9.010 -1.141 1.00 11.10 C ATOM 755 O TYR A 49 12.126 9.966 -0.480 1.00 64.40 O ATOM 756 CB TYR A 49 12.233 6.566 -0.678 1.00 21.34 C ATOM 757 CG TYR A 49 13.117 5.343 -0.905 1.00 1.14 C ATOM 758 CD1 TYR A 49 13.376 4.873 -2.208 1.00 12.21 C ATOM 759 CD2 TYR A 49 13.669 4.658 0.195 1.00 3.13 C ATOM 760 CE1 TYR A 49 14.175 3.732 -2.415 1.00 15.42 C ATOM 761 CE2 TYR A 49 14.467 3.516 0.000 1.00 31.42 C ATOM 762 CZ TYR A 49 14.720 3.039 -1.306 1.00 51.32 C ATOM 763 OH TYR A 49 15.496 1.925 -1.465 1.00 71.13 O ATOM 0 H TYR A 49 14.480 7.519 -0.620 1.00 2.14 H new ATOM 0 HA TYR A 49 12.452 7.597 -2.547 1.00 23.05 H new ATOM 0 HB2 TYR A 49 12.263 6.821 0.381 1.00 21.34 H new ATOM 0 HB3 TYR A 49 11.203 6.295 -0.912 1.00 21.34 H new ATOM 0 HD1 TYR A 49 12.957 5.393 -3.057 1.00 12.21 H new ATOM 0 HD2 TYR A 49 13.478 5.013 1.197 1.00 3.13 H new ATOM 0 HE1 TYR A 49 14.372 3.385 -3.419 1.00 15.42 H new ATOM 0 HE2 TYR A 49 14.888 3.002 0.851 1.00 31.42 H new ATOM 0 HH TYR A 49 15.212 1.441 -2.268 1.00 71.13 H new ATOM 773 N SER A 50 10.433 8.971 -1.571 1.00 44.42 N ATOM 774 CA SER A 50 9.424 9.905 -1.075 1.00 52.21 C ATOM 775 C SER A 50 9.358 9.837 0.459 1.00 35.43 C ATOM 776 O SER A 50 9.610 8.778 1.038 1.00 20.22 O ATOM 777 CB SER A 50 8.054 9.579 -1.689 1.00 23.11 C ATOM 778 OG SER A 50 7.691 10.540 -2.654 1.00 71.51 O ATOM 0 H SER A 50 10.086 8.303 -2.260 1.00 44.42 H new ATOM 0 HA SER A 50 9.700 10.918 -1.368 1.00 52.21 H new ATOM 0 HB2 SER A 50 8.083 8.591 -2.148 1.00 23.11 H new ATOM 0 HB3 SER A 50 7.299 9.544 -0.904 1.00 23.11 H new ATOM 0 HG SER A 50 8.120 10.324 -3.508 1.00 71.51 H new ATOM 784 N PRO A 51 8.954 10.921 1.138 1.00 23.35 N ATOM 785 CA PRO A 51 8.767 10.934 2.586 1.00 71.41 C ATOM 786 C PRO A 51 7.594 10.049 3.030 1.00 52.35 C ATOM 787 O PRO A 51 7.429 9.831 4.228 1.00 72.42 O ATOM 788 CB PRO A 51 8.522 12.403 2.942 1.00 53.34 C ATOM 789 CG PRO A 51 7.873 12.961 1.678 1.00 70.14 C ATOM 790 CD PRO A 51 8.616 12.216 0.575 1.00 0.55 C ATOM 0 HA PRO A 51 9.637 10.525 3.100 1.00 71.41 H new ATOM 0 HB2 PRO A 51 7.869 12.504 3.809 1.00 53.34 H new ATOM 0 HB3 PRO A 51 9.451 12.921 3.180 1.00 53.34 H new ATOM 0 HG2 PRO A 51 6.801 12.765 1.651 1.00 70.14 H new ATOM 0 HG3 PRO A 51 8.001 14.040 1.597 1.00 70.14 H new ATOM 0 HD2 PRO A 51 7.993 12.107 -0.313 1.00 0.55 H new ATOM 0 HD3 PRO A 51 9.512 12.757 0.271 1.00 0.55 H new ATOM 798 N TYR A 52 6.807 9.523 2.087 1.00 34.50 N ATOM 799 CA TYR A 52 5.581 8.772 2.294 1.00 62.32 C ATOM 800 C TYR A 52 5.765 7.297 2.070 1.00 3.44 C ATOM 801 O TYR A 52 4.770 6.606 1.939 1.00 43.04 O ATOM 802 CB TYR A 52 4.463 9.392 1.439 1.00 54.32 C ATOM 803 CG TYR A 52 4.148 10.836 1.787 1.00 72.33 C ATOM 804 CD1 TYR A 52 3.932 11.213 3.126 1.00 5.32 C ATOM 805 CD2 TYR A 52 4.094 11.811 0.774 1.00 14.12 C ATOM 806 CE1 TYR A 52 3.697 12.556 3.459 1.00 33.33 C ATOM 807 CE2 TYR A 52 3.857 13.156 1.099 1.00 11.23 C ATOM 808 CZ TYR A 52 3.665 13.538 2.444 1.00 2.21 C ATOM 809 OH TYR A 52 3.426 14.845 2.735 1.00 50.14 O ATOM 0 H TYR A 52 7.030 9.621 1.097 1.00 34.50 H new ATOM 0 HA TYR A 52 5.285 8.847 3.340 1.00 62.32 H new ATOM 0 HB2 TYR A 52 4.750 9.336 0.389 1.00 54.32 H new ATOM 0 HB3 TYR A 52 3.558 8.795 1.555 1.00 54.32 H new ATOM 0 HD1 TYR A 52 3.947 10.463 3.903 1.00 5.32 H new ATOM 0 HD2 TYR A 52 4.235 11.524 -0.257 1.00 14.12 H new ATOM 0 HE1 TYR A 52 3.541 12.838 4.490 1.00 33.33 H new ATOM 0 HE2 TYR A 52 3.821 13.901 0.317 1.00 11.23 H new ATOM 0 HH TYR A 52 3.443 15.372 1.909 1.00 50.14 H new ATOM 819 N LEU A 53 6.990 6.789 1.981 1.00 23.04 N ATOM 820 CA LEU A 53 7.176 5.410 1.613 1.00 13.22 C ATOM 821 C LEU A 53 8.570 4.936 1.905 1.00 1.22 C ATOM 822 O LEU A 53 9.521 5.711 1.820 1.00 73.03 O ATOM 823 CB LEU A 53 6.834 5.197 0.142 1.00 72.45 C ATOM 824 CG LEU A 53 7.158 6.297 -0.856 1.00 43.03 C ATOM 825 CD1 LEU A 53 8.164 5.823 -1.887 1.00 14.02 C ATOM 826 CD2 LEU A 53 5.880 6.815 -1.516 1.00 33.14 C ATOM 0 H LEU A 53 7.849 7.310 2.157 1.00 23.04 H new ATOM 0 HA LEU A 53 6.495 4.815 2.222 1.00 13.22 H new ATOM 0 HB2 LEU A 53 7.346 4.293 -0.187 1.00 72.45 H new ATOM 0 HB3 LEU A 53 5.764 4.999 0.078 1.00 72.45 H new ATOM 0 HG LEU A 53 7.616 7.125 -0.315 1.00 43.03 H new ATOM 0 HD11 LEU A 53 8.376 6.631 -2.587 1.00 14.02 H new ATOM 0 HD12 LEU A 53 9.085 5.526 -1.386 1.00 14.02 H new ATOM 0 HD13 LEU A 53 7.755 4.971 -2.430 1.00 14.02 H new ATOM 0 HD21 LEU A 53 6.131 7.602 -2.227 1.00 33.14 H new ATOM 0 HD22 LEU A 53 5.384 5.998 -2.039 1.00 33.14 H new ATOM 0 HD23 LEU A 53 5.213 7.215 -0.753 1.00 33.14 H new ATOM 838 N LYS A 54 8.660 3.660 2.258 1.00 71.30 N ATOM 839 CA LYS A 54 9.872 2.909 2.525 1.00 65.25 C ATOM 840 C LYS A 54 9.568 1.441 2.261 1.00 34.32 C ATOM 841 O LYS A 54 8.402 1.051 2.308 1.00 1.22 O ATOM 842 CB LYS A 54 10.274 3.050 3.998 1.00 63.04 C ATOM 843 CG LYS A 54 10.794 4.453 4.326 1.00 35.12 C ATOM 844 CD LYS A 54 11.742 4.493 5.521 1.00 20.33 C ATOM 845 CE LYS A 54 13.036 3.751 5.158 1.00 54.30 C ATOM 846 NZ LYS A 54 14.008 3.756 6.258 1.00 61.15 N ATOM 0 H LYS A 54 7.825 3.085 2.372 1.00 71.30 H new ATOM 0 HA LYS A 54 10.680 3.280 1.895 1.00 65.25 H new ATOM 0 HB2 LYS A 54 9.415 2.826 4.630 1.00 63.04 H new ATOM 0 HB3 LYS A 54 11.043 2.315 4.234 1.00 63.04 H new ATOM 0 HG2 LYS A 54 11.308 4.854 3.452 1.00 35.12 H new ATOM 0 HG3 LYS A 54 9.946 5.108 4.525 1.00 35.12 H new ATOM 0 HD2 LYS A 54 11.963 5.525 5.791 1.00 20.33 H new ATOM 0 HD3 LYS A 54 11.273 4.030 6.389 1.00 20.33 H new ATOM 0 HE2 LYS A 54 12.799 2.721 4.890 1.00 54.30 H new ATOM 0 HE3 LYS A 54 13.483 4.214 4.279 1.00 54.30 H new ATOM 0 HZ1 LYS A 54 14.865 3.244 5.966 1.00 61.15 H new ATOM 0 HZ2 LYS A 54 14.256 4.737 6.498 1.00 61.15 H new ATOM 0 HZ3 LYS A 54 13.593 3.291 7.090 1.00 61.15 H new ATOM 860 N PRO A 55 10.577 0.588 2.062 1.00 72.34 N ATOM 861 CA PRO A 55 10.406 -0.821 2.361 1.00 41.54 C ATOM 862 C PRO A 55 10.203 -1.023 3.873 1.00 64.22 C ATOM 863 O PRO A 55 10.416 -0.127 4.699 1.00 24.44 O ATOM 864 CB PRO A 55 11.683 -1.484 1.839 1.00 31.45 C ATOM 865 CG PRO A 55 12.738 -0.387 1.952 1.00 54.12 C ATOM 866 CD PRO A 55 11.956 0.905 1.729 1.00 63.22 C ATOM 0 HA PRO A 55 9.524 -1.259 1.893 1.00 41.54 H new ATOM 0 HB2 PRO A 55 11.951 -2.358 2.432 1.00 31.45 H new ATOM 0 HB3 PRO A 55 11.566 -1.821 0.809 1.00 31.45 H new ATOM 0 HG2 PRO A 55 13.221 -0.397 2.929 1.00 54.12 H new ATOM 0 HG3 PRO A 55 13.524 -0.511 1.207 1.00 54.12 H new ATOM 0 HD2 PRO A 55 12.337 1.708 2.360 1.00 63.22 H new ATOM 0 HD3 PRO A 55 12.042 1.243 0.696 1.00 63.22 H new ATOM 874 N ARG A 56 9.838 -2.248 4.226 1.00 42.35 N ATOM 875 CA ARG A 56 9.955 -2.834 5.561 1.00 24.12 C ATOM 876 C ARG A 56 10.638 -4.201 5.415 1.00 65.10 C ATOM 877 O ARG A 56 11.177 -4.501 4.347 1.00 1.12 O ATOM 878 CB ARG A 56 8.578 -2.873 6.250 1.00 41.51 C ATOM 879 CG ARG A 56 8.297 -1.602 7.057 1.00 55.43 C ATOM 880 CD ARG A 56 7.092 -1.866 7.961 1.00 2.35 C ATOM 881 NE ARG A 56 6.645 -0.665 8.677 1.00 44.41 N ATOM 882 CZ ARG A 56 7.028 -0.187 9.864 1.00 24.11 C ATOM 883 NH1 ARG A 56 7.985 -0.766 10.582 1.00 25.14 N ATOM 884 NH2 ARG A 56 6.451 0.912 10.322 1.00 61.23 N ATOM 0 H ARG A 56 9.430 -2.898 3.554 1.00 42.35 H new ATOM 0 HA ARG A 56 10.577 -2.228 6.220 1.00 24.12 H new ATOM 0 HB2 ARG A 56 7.801 -3.002 5.497 1.00 41.51 H new ATOM 0 HB3 ARG A 56 8.529 -3.739 6.911 1.00 41.51 H new ATOM 0 HG2 ARG A 56 9.168 -1.331 7.654 1.00 55.43 H new ATOM 0 HG3 ARG A 56 8.095 -0.765 6.389 1.00 55.43 H new ATOM 0 HD2 ARG A 56 6.269 -2.252 7.359 1.00 2.35 H new ATOM 0 HD3 ARG A 56 7.349 -2.640 8.684 1.00 2.35 H new ATOM 0 HE ARG A 56 5.935 -0.113 8.196 1.00 44.41 H new ATOM 0 HH11 ARG A 56 8.452 -1.602 10.230 1.00 25.14 H new ATOM 0 HH12 ARG A 56 8.253 -0.374 11.485 1.00 25.14 H new ATOM 0 HH21 ARG A 56 5.729 1.377 9.771 1.00 61.23 H new ATOM 0 HH22 ARG A 56 6.728 1.295 11.226 1.00 61.23 H new ATOM 898 N VAL A 57 10.676 -5.011 6.473 1.00 73.42 N ATOM 899 CA VAL A 57 11.041 -6.421 6.436 1.00 64.02 C ATOM 900 C VAL A 57 10.052 -7.184 7.325 1.00 3.13 C ATOM 901 O VAL A 57 10.317 -7.383 8.512 1.00 30.13 O ATOM 902 CB VAL A 57 12.533 -6.643 6.778 1.00 34.22 C ATOM 903 CG1 VAL A 57 12.902 -8.127 6.644 1.00 23.54 C ATOM 904 CG2 VAL A 57 13.445 -5.873 5.812 1.00 11.14 C ATOM 0 H VAL A 57 10.444 -4.688 7.412 1.00 73.42 H new ATOM 0 HA VAL A 57 10.957 -6.820 5.425 1.00 64.02 H new ATOM 0 HB VAL A 57 12.675 -6.292 7.800 1.00 34.22 H new ATOM 0 HG11 VAL A 57 13.955 -8.264 6.889 1.00 23.54 H new ATOM 0 HG12 VAL A 57 12.291 -8.717 7.328 1.00 23.54 H new ATOM 0 HG13 VAL A 57 12.722 -8.456 5.621 1.00 23.54 H new ATOM 0 HG21 VAL A 57 14.487 -6.049 6.078 1.00 11.14 H new ATOM 0 HG22 VAL A 57 13.268 -6.216 4.793 1.00 11.14 H new ATOM 0 HG23 VAL A 57 13.228 -4.807 5.879 1.00 11.14 H new ATOM 914 N ILE A 58 8.895 -7.584 6.791 1.00 22.43 N ATOM 915 CA ILE A 58 7.833 -8.268 7.541 1.00 33.13 C ATOM 916 C ILE A 58 7.921 -9.725 7.132 1.00 11.23 C ATOM 917 O ILE A 58 7.801 -10.039 5.957 1.00 21.44 O ATOM 918 CB ILE A 58 6.439 -7.658 7.254 1.00 24.11 C ATOM 919 CG1 ILE A 58 6.431 -6.201 7.763 1.00 41.14 C ATOM 920 CG2 ILE A 58 5.326 -8.473 7.933 1.00 62.20 C ATOM 921 CD1 ILE A 58 5.120 -5.485 7.452 1.00 34.31 C ATOM 0 H ILE A 58 8.664 -7.440 5.808 1.00 22.43 H new ATOM 0 HA ILE A 58 7.966 -8.155 8.617 1.00 33.13 H new ATOM 0 HB ILE A 58 6.247 -7.680 6.181 1.00 24.11 H new ATOM 0 HG12 ILE A 58 6.599 -6.194 8.840 1.00 41.14 H new ATOM 0 HG13 ILE A 58 7.257 -5.655 7.308 1.00 41.14 H new ATOM 0 HG21 ILE A 58 4.359 -8.021 7.714 1.00 62.20 H new ATOM 0 HG22 ILE A 58 5.342 -9.496 7.556 1.00 62.20 H new ATOM 0 HG23 ILE A 58 5.487 -8.481 9.011 1.00 62.20 H new ATOM 0 HD11 ILE A 58 5.165 -4.464 7.830 1.00 34.31 H new ATOM 0 HD12 ILE A 58 4.963 -5.466 6.374 1.00 34.31 H new ATOM 0 HD13 ILE A 58 4.295 -6.013 7.930 1.00 34.31 H new ATOM 933 N GLU A 59 8.226 -10.619 8.060 1.00 73.21 N ATOM 934 CA GLU A 59 8.433 -12.044 7.770 1.00 22.32 C ATOM 935 C GLU A 59 9.522 -12.264 6.692 1.00 20.04 C ATOM 936 O GLU A 59 9.518 -13.253 5.951 1.00 42.32 O ATOM 937 CB GLU A 59 7.093 -12.710 7.397 1.00 64.40 C ATOM 938 CG GLU A 59 5.967 -12.387 8.388 1.00 72.30 C ATOM 939 CD GLU A 59 4.702 -13.171 8.059 1.00 2.21 C ATOM 940 OE1 GLU A 59 3.901 -12.694 7.224 1.00 45.33 O ATOM 941 OE2 GLU A 59 4.519 -14.269 8.633 1.00 60.14 O ATOM 0 H GLU A 59 8.339 -10.382 9.046 1.00 73.21 H new ATOM 0 HA GLU A 59 8.806 -12.527 8.673 1.00 22.32 H new ATOM 0 HB2 GLU A 59 6.797 -12.384 6.400 1.00 64.40 H new ATOM 0 HB3 GLU A 59 7.231 -13.790 7.351 1.00 64.40 H new ATOM 0 HG2 GLU A 59 6.292 -12.624 9.401 1.00 72.30 H new ATOM 0 HG3 GLU A 59 5.753 -11.319 8.363 1.00 72.30 H new ATOM 948 N GLY A 60 10.455 -11.317 6.568 1.00 43.53 N ATOM 949 CA GLY A 60 11.501 -11.308 5.556 1.00 0.41 C ATOM 950 C GLY A 60 11.032 -10.796 4.193 1.00 22.55 C ATOM 951 O GLY A 60 11.821 -10.831 3.248 1.00 71.12 O ATOM 0 H GLY A 60 10.500 -10.511 7.192 1.00 43.53 H new ATOM 0 HA2 GLY A 60 12.326 -10.686 5.904 1.00 0.41 H new ATOM 0 HA3 GLY A 60 11.891 -12.319 5.440 1.00 0.41 H new ATOM 955 N VAL A 61 9.783 -10.351 4.054 1.00 35.35 N ATOM 956 CA VAL A 61 9.250 -9.833 2.805 1.00 13.24 C ATOM 957 C VAL A 61 9.635 -8.357 2.716 1.00 41.14 C ATOM 958 O VAL A 61 9.842 -7.721 3.742 1.00 10.54 O ATOM 959 CB VAL A 61 7.733 -10.069 2.747 1.00 54.35 C ATOM 960 CG1 VAL A 61 6.867 -8.981 3.376 1.00 62.53 C ATOM 961 CG2 VAL A 61 7.286 -10.246 1.309 1.00 5.12 C ATOM 0 H VAL A 61 9.108 -10.342 4.819 1.00 35.35 H new ATOM 0 HA VAL A 61 9.668 -10.349 1.941 1.00 13.24 H new ATOM 0 HB VAL A 61 7.583 -10.968 3.345 1.00 54.35 H new ATOM 0 HG11 VAL A 61 5.816 -9.251 3.278 1.00 62.53 H new ATOM 0 HG12 VAL A 61 7.119 -8.880 4.432 1.00 62.53 H new ATOM 0 HG13 VAL A 61 7.047 -8.034 2.868 1.00 62.53 H new ATOM 0 HG21 VAL A 61 6.209 -10.413 1.281 1.00 5.12 H new ATOM 0 HG22 VAL A 61 7.530 -9.349 0.739 1.00 5.12 H new ATOM 0 HG23 VAL A 61 7.797 -11.104 0.872 1.00 5.12 H new ATOM 971 N ARG A 62 9.695 -7.786 1.514 1.00 40.13 N ATOM 972 CA ARG A 62 10.170 -6.415 1.321 1.00 25.23 C ATOM 973 C ARG A 62 9.140 -5.338 1.643 1.00 12.42 C ATOM 974 O ARG A 62 9.538 -4.227 1.974 1.00 51.53 O ATOM 975 CB ARG A 62 10.624 -6.254 -0.129 1.00 70.42 C ATOM 976 CG ARG A 62 11.782 -7.169 -0.537 1.00 2.32 C ATOM 977 CD ARG A 62 13.141 -6.480 -0.439 1.00 74.10 C ATOM 978 NE ARG A 62 13.492 -6.235 0.966 1.00 45.31 N ATOM 979 CZ ARG A 62 14.270 -5.248 1.431 1.00 54.44 C ATOM 980 NH1 ARG A 62 14.645 -4.238 0.657 1.00 34.52 N ATOM 981 NH2 ARG A 62 14.695 -5.269 2.681 1.00 13.44 N ATOM 0 H ARG A 62 9.418 -8.256 0.652 1.00 40.13 H new ATOM 0 HA ARG A 62 10.988 -6.270 2.026 1.00 25.23 H new ATOM 0 HB2 ARG A 62 9.776 -6.448 -0.786 1.00 70.42 H new ATOM 0 HB3 ARG A 62 10.922 -5.218 -0.290 1.00 70.42 H new ATOM 0 HG2 ARG A 62 11.781 -8.054 0.099 1.00 2.32 H new ATOM 0 HG3 ARG A 62 11.626 -7.511 -1.560 1.00 2.32 H new ATOM 0 HD2 ARG A 62 13.905 -7.100 -0.908 1.00 74.10 H new ATOM 0 HD3 ARG A 62 13.117 -5.536 -0.984 1.00 74.10 H new ATOM 0 HE ARG A 62 13.106 -6.880 1.656 1.00 45.31 H new ATOM 0 HH11 ARG A 62 14.341 -4.201 -0.316 1.00 34.52 H new ATOM 0 HH12 ARG A 62 15.238 -3.499 1.035 1.00 34.52 H new ATOM 0 HH21 ARG A 62 14.431 -6.038 3.296 1.00 13.44 H new ATOM 0 HH22 ARG A 62 15.287 -4.516 3.031 1.00 13.44 H new ATOM 995 N CYS A 63 7.851 -5.644 1.466 1.00 13.04 N ATOM 996 CA CYS A 63 6.691 -4.903 1.973 1.00 41.32 C ATOM 997 C CYS A 63 6.787 -3.376 1.840 1.00 30.40 C ATOM 998 O CYS A 63 7.353 -2.708 2.702 1.00 42.35 O ATOM 999 CB CYS A 63 6.267 -5.345 3.366 1.00 13.22 C ATOM 1000 SG CYS A 63 7.671 -5.582 4.473 1.00 32.04 S ATOM 0 H CYS A 63 7.572 -6.467 0.932 1.00 13.04 H new ATOM 0 HA CYS A 63 5.884 -5.182 1.295 1.00 41.32 H new ATOM 0 HB2 CYS A 63 5.595 -4.600 3.791 1.00 13.22 H new ATOM 0 HB3 CYS A 63 5.705 -6.276 3.293 1.00 13.22 H new ATOM 0 HG CYS A 63 8.438 -6.522 4.006 1.00 32.04 H new ATOM 1006 N LEU A 64 6.219 -2.833 0.772 1.00 71.41 N ATOM 1007 CA LEU A 64 6.276 -1.405 0.474 1.00 12.52 C ATOM 1008 C LEU A 64 5.233 -0.664 1.297 1.00 51.02 C ATOM 1009 O LEU A 64 4.045 -0.886 1.070 1.00 22.41 O ATOM 1010 CB LEU A 64 6.033 -1.178 -1.020 1.00 32.34 C ATOM 1011 CG LEU A 64 6.143 0.292 -1.477 1.00 2.11 C ATOM 1012 CD1 LEU A 64 7.303 1.113 -0.883 1.00 44.45 C ATOM 1013 CD2 LEU A 64 6.328 0.239 -2.990 1.00 51.13 C ATOM 0 H LEU A 64 5.700 -3.375 0.081 1.00 71.41 H new ATOM 0 HA LEU A 64 7.263 -1.022 0.732 1.00 12.52 H new ATOM 0 HB2 LEU A 64 6.750 -1.774 -1.585 1.00 32.34 H new ATOM 0 HB3 LEU A 64 5.040 -1.549 -1.273 1.00 32.34 H new ATOM 0 HG LEU A 64 5.244 0.801 -1.130 1.00 2.11 H new ATOM 0 HD11 LEU A 64 7.272 2.127 -1.281 1.00 44.45 H new ATOM 0 HD12 LEU A 64 7.207 1.146 0.202 1.00 44.45 H new ATOM 0 HD13 LEU A 64 8.252 0.648 -1.149 1.00 44.45 H new ATOM 0 HD21 LEU A 64 6.413 1.253 -3.382 1.00 51.13 H new ATOM 0 HD22 LEU A 64 7.234 -0.319 -3.226 1.00 51.13 H new ATOM 0 HD23 LEU A 64 5.469 -0.255 -3.445 1.00 51.13 H new ATOM 1025 N ALA A 65 5.670 0.190 2.221 1.00 71.33 N ATOM 1026 CA ALA A 65 4.815 1.115 2.942 1.00 32.15 C ATOM 1027 C ALA A 65 4.546 2.290 2.000 1.00 23.31 C ATOM 1028 O ALA A 65 5.512 2.792 1.421 1.00 40.43 O ATOM 1029 CB ALA A 65 5.558 1.606 4.192 1.00 32.33 C ATOM 0 H ALA A 65 6.651 0.255 2.491 1.00 71.33 H new ATOM 0 HA ALA A 65 3.881 0.646 3.252 1.00 32.15 H new ATOM 0 HB1 ALA A 65 4.925 2.302 4.742 1.00 32.33 H new ATOM 0 HB2 ALA A 65 5.800 0.755 4.829 1.00 32.33 H new ATOM 0 HB3 ALA A 65 6.478 2.110 3.894 1.00 32.33 H new ATOM 1035 N VAL A 66 3.304 2.759 1.867 1.00 73.35 N ATOM 1036 CA VAL A 66 2.967 4.057 1.274 1.00 70.42 C ATOM 1037 C VAL A 66 1.952 4.732 2.229 1.00 60.43 C ATOM 1038 O VAL A 66 0.858 4.208 2.448 1.00 61.13 O ATOM 1039 CB VAL A 66 2.444 3.981 -0.159 1.00 44.53 C ATOM 1040 CG1 VAL A 66 2.313 5.437 -0.649 1.00 15.11 C ATOM 1041 CG2 VAL A 66 3.468 3.244 -1.030 1.00 71.52 C ATOM 0 H VAL A 66 2.485 2.236 2.175 1.00 73.35 H new ATOM 0 HA VAL A 66 3.877 4.648 1.176 1.00 70.42 H new ATOM 0 HB VAL A 66 1.492 3.453 -0.213 1.00 44.53 H new ATOM 0 HG11 VAL A 66 1.941 5.444 -1.674 1.00 15.11 H new ATOM 0 HG12 VAL A 66 1.617 5.976 -0.006 1.00 15.11 H new ATOM 0 HG13 VAL A 66 3.289 5.922 -0.614 1.00 15.11 H new ATOM 0 HG21 VAL A 66 3.100 3.187 -2.054 1.00 71.52 H new ATOM 0 HG22 VAL A 66 4.415 3.784 -1.014 1.00 71.52 H new ATOM 0 HG23 VAL A 66 3.618 2.237 -0.641 1.00 71.52 H new ATOM 1051 N ASP A 67 2.311 5.862 2.832 1.00 74.13 N ATOM 1052 CA ASP A 67 1.499 6.698 3.718 1.00 64.42 C ATOM 1053 C ASP A 67 0.324 7.305 2.973 1.00 14.43 C ATOM 1054 O ASP A 67 0.484 7.751 1.834 1.00 33.14 O ATOM 1055 CB ASP A 67 2.372 7.810 4.300 1.00 12.32 C ATOM 1056 CG ASP A 67 1.694 8.533 5.461 1.00 12.24 C ATOM 1057 OD1 ASP A 67 0.760 9.328 5.235 1.00 25.13 O ATOM 1058 OD2 ASP A 67 2.155 8.322 6.606 1.00 51.34 O ATOM 0 H ASP A 67 3.247 6.248 2.706 1.00 74.13 H new ATOM 0 HA ASP A 67 1.105 6.074 4.520 1.00 64.42 H new ATOM 0 HB2 ASP A 67 3.316 7.386 4.641 1.00 12.32 H new ATOM 0 HB3 ASP A 67 2.610 8.529 3.516 1.00 12.32 H new ATOM 1063 N LEU A 68 -0.848 7.341 3.611 1.00 54.25 N ATOM 1064 CA LEU A 68 -2.098 7.814 3.025 1.00 73.34 C ATOM 1065 C LEU A 68 -2.091 9.320 2.721 1.00 44.13 C ATOM 1066 O LEU A 68 -2.874 9.777 1.890 1.00 50.12 O ATOM 1067 CB LEU A 68 -3.297 7.393 3.890 1.00 74.13 C ATOM 1068 CG LEU A 68 -3.997 6.124 3.362 1.00 72.12 C ATOM 1069 CD1 LEU A 68 -4.947 5.581 4.432 1.00 60.42 C ATOM 1070 CD2 LEU A 68 -4.788 6.392 2.070 1.00 25.44 C ATOM 0 H LEU A 68 -0.953 7.032 4.577 1.00 54.25 H new ATOM 0 HA LEU A 68 -2.201 7.330 2.054 1.00 73.34 H new ATOM 0 HB2 LEU A 68 -2.959 7.218 4.911 1.00 74.13 H new ATOM 0 HB3 LEU A 68 -4.017 8.211 3.928 1.00 74.13 H new ATOM 0 HG LEU A 68 -3.222 5.393 3.132 1.00 72.12 H new ATOM 0 HD11 LEU A 68 -5.441 4.684 4.058 1.00 60.42 H new ATOM 0 HD12 LEU A 68 -4.381 5.336 5.331 1.00 60.42 H new ATOM 0 HD13 LEU A 68 -5.696 6.336 4.670 1.00 60.42 H new ATOM 0 HD21 LEU A 68 -5.263 5.470 1.736 1.00 25.44 H new ATOM 0 HD22 LEU A 68 -5.552 7.145 2.261 1.00 25.44 H new ATOM 0 HD23 LEU A 68 -4.110 6.751 1.296 1.00 25.44 H new ATOM 1082 N LYS A 69 -1.170 10.105 3.293 1.00 2.32 N ATOM 1083 CA LYS A 69 -1.004 11.516 2.929 1.00 72.42 C ATOM 1084 C LYS A 69 -0.600 11.643 1.463 1.00 22.54 C ATOM 1085 O LYS A 69 -0.969 12.611 0.802 1.00 14.31 O ATOM 1086 CB LYS A 69 0.048 12.170 3.838 1.00 45.44 C ATOM 1087 CG LYS A 69 -0.184 13.655 4.122 1.00 74.30 C ATOM 1088 CD LYS A 69 -0.040 14.566 2.908 1.00 21.14 C ATOM 1089 CE LYS A 69 -0.050 16.034 3.288 1.00 54.21 C ATOM 1090 NZ LYS A 69 -1.409 16.494 3.640 1.00 52.50 N ATOM 0 H LYS A 69 -0.525 9.783 4.014 1.00 2.32 H new ATOM 0 HA LYS A 69 -1.955 12.031 3.066 1.00 72.42 H new ATOM 0 HB2 LYS A 69 0.073 11.633 4.786 1.00 45.44 H new ATOM 0 HB3 LYS A 69 1.029 12.051 3.378 1.00 45.44 H new ATOM 0 HG2 LYS A 69 -1.185 13.780 4.536 1.00 74.30 H new ATOM 0 HG3 LYS A 69 0.521 13.979 4.888 1.00 74.30 H new ATOM 0 HD2 LYS A 69 0.890 14.333 2.390 1.00 21.14 H new ATOM 0 HD3 LYS A 69 -0.853 14.368 2.209 1.00 21.14 H new ATOM 0 HE2 LYS A 69 0.620 16.197 4.132 1.00 54.21 H new ATOM 0 HE3 LYS A 69 0.333 16.628 2.458 1.00 54.21 H new ATOM 0 HZ1 LYS A 69 -1.357 17.446 4.055 1.00 52.50 H new ATOM 0 HZ2 LYS A 69 -1.999 16.521 2.784 1.00 52.50 H new ATOM 0 HZ3 LYS A 69 -1.829 15.839 4.330 1.00 52.50 H new ATOM 1104 N LEU A 70 0.142 10.681 0.914 1.00 65.20 N ATOM 1105 CA LEU A 70 0.501 10.742 -0.500 1.00 72.43 C ATOM 1106 C LEU A 70 -0.749 10.886 -1.385 1.00 34.42 C ATOM 1107 O LEU A 70 -0.698 11.599 -2.379 1.00 15.44 O ATOM 1108 CB LEU A 70 1.385 9.563 -0.906 1.00 72.10 C ATOM 1109 CG LEU A 70 1.690 9.525 -2.416 1.00 24.11 C ATOM 1110 CD1 LEU A 70 2.592 10.687 -2.858 1.00 12.14 C ATOM 1111 CD2 LEU A 70 2.361 8.186 -2.705 1.00 12.31 C ATOM 0 H LEU A 70 0.499 9.867 1.415 1.00 65.20 H new ATOM 0 HA LEU A 70 1.100 11.639 -0.659 1.00 72.43 H new ATOM 0 HB2 LEU A 70 2.323 9.613 -0.354 1.00 72.10 H new ATOM 0 HB3 LEU A 70 0.895 8.633 -0.617 1.00 72.10 H new ATOM 0 HG LEU A 70 0.762 9.633 -2.978 1.00 24.11 H new ATOM 0 HD11 LEU A 70 2.778 10.616 -3.930 1.00 12.14 H new ATOM 0 HD12 LEU A 70 2.100 11.634 -2.637 1.00 12.14 H new ATOM 0 HD13 LEU A 70 3.539 10.637 -2.321 1.00 12.14 H new ATOM 0 HD21 LEU A 70 2.595 8.118 -3.767 1.00 12.31 H new ATOM 0 HD22 LEU A 70 3.281 8.107 -2.125 1.00 12.31 H new ATOM 0 HD23 LEU A 70 1.688 7.375 -2.429 1.00 12.31 H new ATOM 1123 N LYS A 71 -1.885 10.291 -1.017 1.00 42.51 N ATOM 1124 CA LYS A 71 -3.124 10.345 -1.781 1.00 40.12 C ATOM 1125 C LYS A 71 -3.728 11.746 -1.741 1.00 73.25 C ATOM 1126 O LYS A 71 -4.300 12.184 -2.733 1.00 62.02 O ATOM 1127 CB LYS A 71 -4.070 9.269 -1.218 1.00 54.04 C ATOM 1128 CG LYS A 71 -5.420 9.124 -1.937 1.00 54.23 C ATOM 1129 CD LYS A 71 -5.515 7.794 -2.691 1.00 73.13 C ATOM 1130 CE LYS A 71 -6.886 7.569 -3.336 1.00 21.22 C ATOM 1131 NZ LYS A 71 -7.160 8.544 -4.405 1.00 11.12 N ATOM 0 H LYS A 71 -1.967 9.746 -0.158 1.00 42.51 H new ATOM 0 HA LYS A 71 -2.940 10.136 -2.835 1.00 40.12 H new ATOM 0 HB2 LYS A 71 -3.557 8.308 -1.251 1.00 54.04 H new ATOM 0 HB3 LYS A 71 -4.261 9.493 -0.168 1.00 54.04 H new ATOM 0 HG2 LYS A 71 -6.229 9.190 -1.210 1.00 54.23 H new ATOM 0 HG3 LYS A 71 -5.552 9.950 -2.636 1.00 54.23 H new ATOM 0 HD2 LYS A 71 -4.747 7.765 -3.464 1.00 73.13 H new ATOM 0 HD3 LYS A 71 -5.305 6.976 -2.002 1.00 73.13 H new ATOM 0 HE2 LYS A 71 -6.933 6.560 -3.745 1.00 21.22 H new ATOM 0 HE3 LYS A 71 -7.661 7.640 -2.573 1.00 21.22 H new ATOM 0 HZ1 LYS A 71 -8.090 8.345 -4.826 1.00 11.12 H new ATOM 0 HZ2 LYS A 71 -7.158 9.505 -4.007 1.00 11.12 H new ATOM 0 HZ3 LYS A 71 -6.426 8.471 -5.138 1.00 11.12 H new ATOM 1145 N ASP A 72 -3.581 12.467 -0.633 1.00 52.41 N ATOM 1146 CA ASP A 72 -4.000 13.865 -0.534 1.00 64.50 C ATOM 1147 C ASP A 72 -3.221 14.716 -1.535 1.00 42.54 C ATOM 1148 O ASP A 72 -3.817 15.516 -2.254 1.00 22.43 O ATOM 1149 CB ASP A 72 -3.786 14.361 0.899 1.00 34.14 C ATOM 1150 CG ASP A 72 -4.013 15.866 1.074 1.00 52.14 C ATOM 1151 OD1 ASP A 72 -5.163 16.346 0.989 1.00 1.00 O ATOM 1152 OD2 ASP A 72 -3.020 16.583 1.358 1.00 21.02 O ATOM 0 H ASP A 72 -3.167 12.099 0.224 1.00 52.41 H new ATOM 0 HA ASP A 72 -5.060 13.950 -0.775 1.00 64.50 H new ATOM 0 HB2 ASP A 72 -4.460 13.822 1.564 1.00 34.14 H new ATOM 0 HB3 ASP A 72 -2.770 14.118 1.209 1.00 34.14 H new ATOM 1157 N THR A 73 -1.899 14.540 -1.600 1.00 31.15 N ATOM 1158 CA THR A 73 -1.023 15.386 -2.412 1.00 73.14 C ATOM 1159 C THR A 73 -0.920 14.936 -3.891 1.00 63.43 C ATOM 1160 O THR A 73 -0.784 15.800 -4.763 1.00 45.11 O ATOM 1161 CB THR A 73 0.327 15.561 -1.678 1.00 11.52 C ATOM 1162 OG1 THR A 73 1.143 16.571 -2.238 1.00 63.33 O ATOM 1163 CG2 THR A 73 1.173 14.300 -1.620 1.00 31.32 C ATOM 0 H THR A 73 -1.406 13.806 -1.091 1.00 31.15 H new ATOM 0 HA THR A 73 -1.470 16.375 -2.510 1.00 73.14 H new ATOM 0 HB THR A 73 0.012 15.837 -0.672 1.00 11.52 H new ATOM 0 HG1 THR A 73 1.979 16.635 -1.731 1.00 63.33 H new ATOM 0 HG21 THR A 73 2.102 14.509 -1.089 1.00 31.32 H new ATOM 0 HG22 THR A 73 0.624 13.517 -1.096 1.00 31.32 H new ATOM 0 HG23 THR A 73 1.401 13.968 -2.633 1.00 31.32 H new ATOM 1171 N ASN A 74 -0.987 13.634 -4.201 1.00 44.14 N ATOM 1172 CA ASN A 74 -0.971 13.054 -5.552 1.00 0.44 C ATOM 1173 C ASN A 74 -1.729 11.716 -5.551 1.00 20.31 C ATOM 1174 O ASN A 74 -1.113 10.650 -5.413 1.00 31.54 O ATOM 1175 CB ASN A 74 0.457 12.833 -6.077 1.00 13.44 C ATOM 1176 CG ASN A 74 0.459 12.143 -7.446 1.00 51.04 C ATOM 1177 OD1 ASN A 74 -0.490 12.231 -8.226 1.00 44.44 O ATOM 1178 ND2 ASN A 74 1.514 11.418 -7.779 1.00 43.41 N ATOM 0 H ASN A 74 -1.058 12.918 -3.478 1.00 44.14 H new ATOM 0 HA ASN A 74 -1.460 13.766 -6.217 1.00 0.44 H new ATOM 0 HB2 ASN A 74 0.969 13.792 -6.153 1.00 13.44 H new ATOM 0 HB3 ASN A 74 1.017 12.228 -5.364 1.00 13.44 H new ATOM 0 HD21 ASN A 74 1.538 10.936 -8.677 1.00 43.41 H new ATOM 0 HD22 ASN A 74 2.303 11.341 -7.137 1.00 43.41 H new ATOM 1185 N PRO A 75 -3.062 11.735 -5.706 1.00 1.32 N ATOM 1186 CA PRO A 75 -3.882 10.538 -5.602 1.00 63.10 C ATOM 1187 C PRO A 75 -3.649 9.546 -6.739 1.00 23.34 C ATOM 1188 O PRO A 75 -3.764 8.347 -6.511 1.00 13.44 O ATOM 1189 CB PRO A 75 -5.331 11.030 -5.588 1.00 24.11 C ATOM 1190 CG PRO A 75 -5.280 12.404 -6.242 1.00 0.15 C ATOM 1191 CD PRO A 75 -3.891 12.916 -5.885 1.00 62.32 C ATOM 0 HA PRO A 75 -3.624 9.985 -4.699 1.00 63.10 H new ATOM 0 HB2 PRO A 75 -5.984 10.353 -6.139 1.00 24.11 H new ATOM 0 HB3 PRO A 75 -5.719 11.090 -4.571 1.00 24.11 H new ATOM 0 HG2 PRO A 75 -5.419 12.340 -7.321 1.00 0.15 H new ATOM 0 HG3 PRO A 75 -6.061 13.061 -5.858 1.00 0.15 H new ATOM 0 HD2 PRO A 75 -3.495 13.554 -6.675 1.00 62.32 H new ATOM 0 HD3 PRO A 75 -3.918 13.515 -4.975 1.00 62.32 H new ATOM 1199 N GLU A 76 -3.329 10.019 -7.942 1.00 23.43 N ATOM 1200 CA GLU A 76 -3.133 9.202 -9.138 1.00 33.34 C ATOM 1201 C GLU A 76 -1.975 8.227 -8.947 1.00 75.33 C ATOM 1202 O GLU A 76 -2.107 7.032 -9.208 1.00 24.35 O ATOM 1203 CB GLU A 76 -2.809 10.169 -10.283 1.00 11.30 C ATOM 1204 CG GLU A 76 -2.514 9.473 -11.616 1.00 64.12 C ATOM 1205 CD GLU A 76 -1.992 10.435 -12.687 1.00 21.25 C ATOM 1206 OE1 GLU A 76 -1.129 11.296 -12.397 1.00 22.21 O ATOM 1207 OE2 GLU A 76 -2.395 10.278 -13.861 1.00 11.01 O ATOM 0 H GLU A 76 -3.195 11.015 -8.117 1.00 23.43 H new ATOM 0 HA GLU A 76 -4.026 8.614 -9.348 1.00 33.34 H new ATOM 0 HB2 GLU A 76 -3.648 10.851 -10.418 1.00 11.30 H new ATOM 0 HB3 GLU A 76 -1.948 10.775 -10.002 1.00 11.30 H new ATOM 0 HG2 GLU A 76 -1.779 8.684 -11.454 1.00 64.12 H new ATOM 0 HG3 GLU A 76 -3.423 8.992 -11.978 1.00 64.12 H new ATOM 1214 N GLY A 77 -0.829 8.744 -8.507 1.00 65.23 N ATOM 1215 CA GLY A 77 0.347 7.921 -8.273 1.00 21.43 C ATOM 1216 C GLY A 77 0.018 6.788 -7.294 1.00 11.13 C ATOM 1217 O GLY A 77 0.326 5.620 -7.558 1.00 63.33 O ATOM 0 H GLY A 77 -0.694 9.735 -8.306 1.00 65.23 H new ATOM 0 HA2 GLY A 77 0.701 7.504 -9.216 1.00 21.43 H new ATOM 0 HA3 GLY A 77 1.154 8.534 -7.872 1.00 21.43 H new ATOM 1221 N PHE A 78 -0.675 7.133 -6.200 1.00 52.31 N ATOM 1222 CA PHE A 78 -1.140 6.187 -5.193 1.00 45.32 C ATOM 1223 C PHE A 78 -2.060 5.142 -5.797 1.00 11.04 C ATOM 1224 O PHE A 78 -1.846 3.948 -5.601 1.00 12.12 O ATOM 1225 CB PHE A 78 -1.805 6.924 -4.031 1.00 53.01 C ATOM 1226 CG PHE A 78 -2.227 5.980 -2.926 1.00 14.23 C ATOM 1227 CD1 PHE A 78 -3.475 5.330 -2.964 1.00 32.01 C ATOM 1228 CD2 PHE A 78 -1.338 5.710 -1.875 1.00 43.51 C ATOM 1229 CE1 PHE A 78 -3.851 4.476 -1.914 1.00 3.51 C ATOM 1230 CE2 PHE A 78 -1.704 4.851 -0.829 1.00 15.31 C ATOM 1231 CZ PHE A 78 -2.968 4.243 -0.845 1.00 64.43 C ATOM 0 H PHE A 78 -0.930 8.099 -5.992 1.00 52.31 H new ATOM 0 HA PHE A 78 -0.273 5.656 -4.799 1.00 45.32 H new ATOM 0 HB2 PHE A 78 -1.114 7.666 -3.630 1.00 53.01 H new ATOM 0 HB3 PHE A 78 -2.677 7.466 -4.397 1.00 53.01 H new ATOM 0 HD1 PHE A 78 -4.142 5.488 -3.799 1.00 32.01 H new ATOM 0 HD2 PHE A 78 -0.360 6.169 -1.871 1.00 43.51 H new ATOM 0 HE1 PHE A 78 -4.819 3.998 -1.928 1.00 3.51 H new ATOM 0 HE2 PHE A 78 -1.018 4.659 -0.017 1.00 15.31 H new ATOM 0 HZ PHE A 78 -3.264 3.594 -0.034 1.00 64.43 H new ATOM 1241 N ASN A 79 -3.058 5.595 -6.545 1.00 31.21 N ATOM 1242 CA ASN A 79 -4.034 4.757 -7.231 1.00 3.11 C ATOM 1243 C ASN A 79 -3.302 3.707 -8.075 1.00 2.24 C ATOM 1244 O ASN A 79 -3.528 2.515 -7.897 1.00 54.01 O ATOM 1245 CB ASN A 79 -4.970 5.626 -8.083 1.00 72.24 C ATOM 1246 CG ASN A 79 -5.992 6.454 -7.313 1.00 41.14 C ATOM 1247 OD1 ASN A 79 -6.294 6.224 -6.141 1.00 75.12 O ATOM 1248 ND2 ASN A 79 -6.556 7.456 -7.963 1.00 52.33 N ATOM 0 H ASN A 79 -3.216 6.591 -6.696 1.00 31.21 H new ATOM 0 HA ASN A 79 -4.651 4.233 -6.501 1.00 3.11 H new ATOM 0 HB2 ASN A 79 -4.361 6.302 -8.683 1.00 72.24 H new ATOM 0 HB3 ASN A 79 -5.505 4.978 -8.777 1.00 72.24 H new ATOM 0 HD21 ASN A 79 -7.245 8.044 -7.495 1.00 52.33 H new ATOM 0 HD22 ASN A 79 -6.302 7.642 -8.933 1.00 52.33 H new ATOM 1255 N GLN A 80 -2.336 4.103 -8.911 1.00 51.21 N ATOM 1256 CA GLN A 80 -1.543 3.151 -9.690 1.00 54.43 C ATOM 1257 C GLN A 80 -0.801 2.117 -8.824 1.00 52.42 C ATOM 1258 O GLN A 80 -0.566 0.995 -9.273 1.00 44.41 O ATOM 1259 CB GLN A 80 -0.535 3.910 -10.563 1.00 45.24 C ATOM 1260 CG GLN A 80 -1.162 4.523 -11.827 1.00 31.34 C ATOM 1261 CD GLN A 80 -0.280 4.242 -13.041 1.00 74.20 C ATOM 1262 OE1 GLN A 80 -0.123 3.097 -13.443 1.00 12.24 O ATOM 1263 NE2 GLN A 80 0.382 5.232 -13.614 1.00 25.21 N ATOM 0 H GLN A 80 -2.085 5.080 -9.064 1.00 51.21 H new ATOM 0 HA GLN A 80 -2.246 2.594 -10.309 1.00 54.43 H new ATOM 0 HB2 GLN A 80 -0.078 4.703 -9.971 1.00 45.24 H new ATOM 0 HB3 GLN A 80 0.265 3.230 -10.856 1.00 45.24 H new ATOM 0 HG2 GLN A 80 -2.157 4.107 -11.987 1.00 31.34 H new ATOM 0 HG3 GLN A 80 -1.283 5.598 -11.697 1.00 31.34 H new ATOM 0 HE21 GLN A 80 0.256 6.189 -13.284 1.00 25.21 H new ATOM 0 HE22 GLN A 80 1.019 5.039 -14.387 1.00 25.21 H new ATOM 1272 N LEU A 81 -0.410 2.461 -7.593 1.00 34.42 N ATOM 1273 CA LEU A 81 0.248 1.539 -6.664 1.00 34.55 C ATOM 1274 C LEU A 81 -0.730 0.462 -6.193 1.00 45.34 C ATOM 1275 O LEU A 81 -0.325 -0.686 -5.993 1.00 1.13 O ATOM 1276 CB LEU A 81 0.784 2.308 -5.439 1.00 52.21 C ATOM 1277 CG LEU A 81 2.216 1.914 -5.014 1.00 24.31 C ATOM 1278 CD1 LEU A 81 3.207 3.079 -5.005 1.00 51.53 C ATOM 1279 CD2 LEU A 81 2.301 1.224 -3.651 1.00 74.24 C ATOM 0 H LEU A 81 -0.543 3.397 -7.210 1.00 34.42 H new ATOM 0 HA LEU A 81 1.078 1.065 -7.188 1.00 34.55 H new ATOM 0 HB2 LEU A 81 0.764 3.376 -5.658 1.00 52.21 H new ATOM 0 HB3 LEU A 81 0.110 2.143 -4.598 1.00 52.21 H new ATOM 0 HG LEU A 81 2.496 1.205 -5.793 1.00 24.31 H new ATOM 0 HD11 LEU A 81 4.188 2.719 -4.696 1.00 51.53 H new ATOM 0 HD12 LEU A 81 3.276 3.506 -6.005 1.00 51.53 H new ATOM 0 HD13 LEU A 81 2.864 3.843 -4.307 1.00 51.53 H new ATOM 0 HD21 LEU A 81 3.340 0.982 -3.430 1.00 74.24 H new ATOM 0 HD22 LEU A 81 1.912 1.890 -2.881 1.00 74.24 H new ATOM 0 HD23 LEU A 81 1.711 0.308 -3.670 1.00 74.24 H new ATOM 1291 N MET A 82 -2.001 0.839 -6.030 1.00 61.22 N ATOM 1292 CA MET A 82 -3.070 -0.076 -5.660 1.00 22.45 C ATOM 1293 C MET A 82 -3.302 -1.090 -6.774 1.00 52.11 C ATOM 1294 O MET A 82 -3.481 -2.274 -6.499 1.00 74.24 O ATOM 1295 CB MET A 82 -4.389 0.665 -5.377 1.00 62.44 C ATOM 1296 CG MET A 82 -4.272 1.735 -4.288 1.00 75.34 C ATOM 1297 SD MET A 82 -3.515 1.200 -2.739 1.00 13.33 S ATOM 1298 CE MET A 82 -4.707 -0.032 -2.165 1.00 31.51 C ATOM 0 H MET A 82 -2.315 1.802 -6.154 1.00 61.22 H new ATOM 0 HA MET A 82 -2.757 -0.583 -4.747 1.00 22.45 H new ATOM 0 HB2 MET A 82 -4.738 1.133 -6.298 1.00 62.44 H new ATOM 0 HB3 MET A 82 -5.147 -0.060 -5.081 1.00 62.44 H new ATOM 0 HG2 MET A 82 -3.692 2.569 -4.685 1.00 75.34 H new ATOM 0 HG3 MET A 82 -5.270 2.116 -4.070 1.00 75.34 H new ATOM 0 HE1 MET A 82 -4.408 -0.398 -1.183 1.00 31.51 H new ATOM 0 HE2 MET A 82 -5.696 0.422 -2.098 1.00 31.51 H new ATOM 0 HE3 MET A 82 -4.737 -0.864 -2.868 1.00 31.51 H new ATOM 1308 N HIS A 83 -3.296 -0.647 -8.033 1.00 52.23 N ATOM 1309 CA HIS A 83 -3.448 -1.533 -9.177 1.00 63.12 C ATOM 1310 C HIS A 83 -2.338 -2.585 -9.202 1.00 41.14 C ATOM 1311 O HIS A 83 -2.634 -3.773 -9.310 1.00 42.34 O ATOM 1312 CB HIS A 83 -3.480 -0.702 -10.460 1.00 13.42 C ATOM 1313 CG HIS A 83 -3.725 -1.517 -11.706 1.00 13.54 C ATOM 1314 ND1 HIS A 83 -3.028 -1.425 -12.892 1.00 1.31 N ATOM 1315 CD2 HIS A 83 -4.662 -2.504 -11.848 1.00 62.23 C ATOM 1316 CE1 HIS A 83 -3.539 -2.335 -13.737 1.00 0.22 C ATOM 1317 NE2 HIS A 83 -4.562 -2.987 -13.157 1.00 74.14 N ATOM 0 H HIS A 83 -3.185 0.336 -8.282 1.00 52.23 H new ATOM 0 HA HIS A 83 -4.391 -2.074 -9.096 1.00 63.12 H new ATOM 0 HB2 HIS A 83 -4.260 0.055 -10.373 1.00 13.42 H new ATOM 0 HB3 HIS A 83 -2.533 -0.173 -10.563 1.00 13.42 H new ATOM 0 HD2 HIS A 83 -5.351 -2.847 -11.090 1.00 62.23 H new ATOM 0 HE1 HIS A 83 -3.180 -2.517 -14.739 1.00 0.22 H new ATOM 0 HE2 HIS A 83 -5.152 -3.698 -13.589 1.00 74.14 H new ATOM 1325 N PHE A 84 -1.082 -2.152 -9.031 1.00 43.03 N ATOM 1326 CA PHE A 84 0.101 -3.014 -9.005 1.00 70.12 C ATOM 1327 C PHE A 84 -0.095 -4.187 -8.043 1.00 33.23 C ATOM 1328 O PHE A 84 0.317 -5.313 -8.341 1.00 64.31 O ATOM 1329 CB PHE A 84 1.318 -2.174 -8.584 1.00 30.50 C ATOM 1330 CG PHE A 84 2.669 -2.868 -8.609 1.00 32.12 C ATOM 1331 CD1 PHE A 84 3.012 -3.842 -7.647 1.00 54.22 C ATOM 1332 CD2 PHE A 84 3.627 -2.468 -9.555 1.00 42.40 C ATOM 1333 CE1 PHE A 84 4.288 -4.431 -7.661 1.00 55.24 C ATOM 1334 CE2 PHE A 84 4.910 -3.037 -9.553 1.00 61.30 C ATOM 1335 CZ PHE A 84 5.239 -4.028 -8.613 1.00 12.32 C ATOM 0 H PHE A 84 -0.858 -1.165 -8.904 1.00 43.03 H new ATOM 0 HA PHE A 84 0.264 -3.428 -10.000 1.00 70.12 H new ATOM 0 HB2 PHE A 84 1.371 -1.302 -9.236 1.00 30.50 H new ATOM 0 HB3 PHE A 84 1.144 -1.806 -7.573 1.00 30.50 H new ATOM 0 HD1 PHE A 84 2.292 -4.136 -6.898 1.00 54.22 H new ATOM 0 HD2 PHE A 84 3.375 -1.717 -10.289 1.00 42.40 H new ATOM 0 HE1 PHE A 84 4.538 -5.194 -6.939 1.00 55.24 H new ATOM 0 HE2 PHE A 84 5.645 -2.713 -10.275 1.00 61.30 H new ATOM 0 HZ PHE A 84 6.220 -4.479 -8.622 1.00 12.32 H new ATOM 1345 N ALA A 85 -0.684 -3.904 -6.874 1.00 64.43 N ATOM 1346 CA ALA A 85 -0.985 -4.894 -5.856 1.00 42.01 C ATOM 1347 C ALA A 85 -1.880 -6.003 -6.410 1.00 35.34 C ATOM 1348 O ALA A 85 -1.422 -7.144 -6.550 1.00 2.41 O ATOM 1349 CB ALA A 85 -1.591 -4.226 -4.618 1.00 54.03 C ATOM 0 H ALA A 85 -0.966 -2.959 -6.613 1.00 64.43 H new ATOM 0 HA ALA A 85 -0.053 -5.367 -5.548 1.00 42.01 H new ATOM 0 HB1 ALA A 85 -1.810 -4.984 -3.866 1.00 54.03 H new ATOM 0 HB2 ALA A 85 -0.883 -3.505 -4.211 1.00 54.03 H new ATOM 0 HB3 ALA A 85 -2.512 -3.713 -4.895 1.00 54.03 H new ATOM 1355 N THR A 86 -3.136 -5.676 -6.732 1.00 21.23 N ATOM 1356 CA THR A 86 -4.118 -6.638 -7.225 1.00 23.05 C ATOM 1357 C THR A 86 -3.578 -7.364 -8.462 1.00 72.53 C ATOM 1358 O THR A 86 -3.824 -8.559 -8.637 1.00 12.12 O ATOM 1359 CB THR A 86 -5.439 -5.909 -7.537 1.00 2.32 C ATOM 1360 OG1 THR A 86 -5.793 -5.020 -6.486 1.00 11.35 O ATOM 1361 CG2 THR A 86 -6.593 -6.887 -7.778 1.00 54.40 C ATOM 0 H THR A 86 -3.499 -4.726 -6.656 1.00 21.23 H new ATOM 0 HA THR A 86 -4.309 -7.389 -6.458 1.00 23.05 H new ATOM 0 HB THR A 86 -5.270 -5.342 -8.452 1.00 2.32 H new ATOM 0 HG1 THR A 86 -6.634 -4.568 -6.709 1.00 11.35 H new ATOM 0 HG21 THR A 86 -7.504 -6.329 -7.994 1.00 54.40 H new ATOM 0 HG22 THR A 86 -6.353 -7.532 -8.624 1.00 54.40 H new ATOM 0 HG23 THR A 86 -6.744 -7.498 -6.888 1.00 54.40 H new ATOM 1369 N GLU A 87 -2.805 -6.665 -9.299 1.00 34.44 N ATOM 1370 CA GLU A 87 -2.260 -7.222 -10.512 1.00 73.32 C ATOM 1371 C GLU A 87 -1.365 -8.416 -10.228 1.00 13.35 C ATOM 1372 O GLU A 87 -1.533 -9.445 -10.881 1.00 0.03 O ATOM 1373 CB GLU A 87 -1.498 -6.143 -11.292 1.00 63.35 C ATOM 1374 CG GLU A 87 -2.427 -5.372 -12.227 1.00 30.51 C ATOM 1375 CD GLU A 87 -2.781 -6.151 -13.498 1.00 71.01 C ATOM 1376 OE1 GLU A 87 -3.135 -7.360 -13.433 1.00 71.41 O ATOM 1377 OE2 GLU A 87 -2.663 -5.562 -14.585 1.00 43.41 O ATOM 0 H GLU A 87 -2.546 -5.691 -9.141 1.00 34.44 H new ATOM 0 HA GLU A 87 -3.090 -7.578 -11.122 1.00 73.32 H new ATOM 0 HB2 GLU A 87 -1.026 -5.452 -10.594 1.00 63.35 H new ATOM 0 HB3 GLU A 87 -0.699 -6.606 -11.871 1.00 63.35 H new ATOM 0 HG2 GLU A 87 -3.344 -5.122 -11.694 1.00 30.51 H new ATOM 0 HG3 GLU A 87 -1.953 -4.430 -12.505 1.00 30.51 H new ATOM 1384 N ASN A 88 -0.419 -8.337 -9.287 1.00 35.31 N ATOM 1385 CA ASN A 88 0.473 -9.443 -9.024 1.00 1.25 C ATOM 1386 C ASN A 88 -0.174 -10.366 -7.973 1.00 20.51 C ATOM 1387 O ASN A 88 0.365 -11.418 -7.635 1.00 54.53 O ATOM 1388 CB ASN A 88 1.817 -8.807 -8.674 1.00 14.32 C ATOM 1389 CG ASN A 88 2.446 -8.094 -9.869 1.00 44.23 C ATOM 1390 OD1 ASN A 88 2.928 -8.717 -10.810 1.00 3.22 O ATOM 1391 ND2 ASN A 88 2.436 -6.767 -9.870 1.00 21.44 N ATOM 0 H ASN A 88 -0.261 -7.516 -8.702 1.00 35.31 H new ATOM 0 HA ASN A 88 0.654 -10.114 -9.864 1.00 1.25 H new ATOM 0 HB2 ASN A 88 1.679 -8.096 -7.860 1.00 14.32 H new ATOM 0 HB3 ASN A 88 2.498 -9.577 -8.313 1.00 14.32 H new ATOM 0 HD21 ASN A 88 2.832 -6.255 -10.658 1.00 21.44 H new ATOM 0 HD22 ASN A 88 2.033 -6.259 -9.083 1.00 21.44 H new ATOM 1398 N GLN A 89 -1.335 -9.950 -7.444 1.00 2.40 N ATOM 1399 CA GLN A 89 -2.208 -10.577 -6.451 1.00 32.12 C ATOM 1400 C GLN A 89 -1.630 -10.457 -5.039 1.00 15.12 C ATOM 1401 O GLN A 89 -1.814 -11.325 -4.185 1.00 22.01 O ATOM 1402 CB GLN A 89 -2.613 -12.011 -6.818 1.00 54.30 C ATOM 1403 CG GLN A 89 -3.126 -12.193 -8.257 1.00 64.41 C ATOM 1404 CD GLN A 89 -2.092 -12.890 -9.134 1.00 44.33 C ATOM 1405 OE1 GLN A 89 -1.812 -14.074 -8.932 1.00 73.40 O ATOM 1406 NE2 GLN A 89 -1.508 -12.209 -10.107 1.00 11.24 N ATOM 0 H GLN A 89 -1.727 -9.057 -7.742 1.00 2.40 H new ATOM 0 HA GLN A 89 -3.142 -10.015 -6.457 1.00 32.12 H new ATOM 0 HB2 GLN A 89 -1.754 -12.665 -6.669 1.00 54.30 H new ATOM 0 HB3 GLN A 89 -3.389 -12.342 -6.127 1.00 54.30 H new ATOM 0 HG2 GLN A 89 -4.047 -12.776 -8.245 1.00 64.41 H new ATOM 0 HG3 GLN A 89 -3.370 -11.220 -8.683 1.00 64.41 H new ATOM 0 HE21 GLN A 89 -1.751 -11.230 -10.261 1.00 11.24 H new ATOM 0 HE22 GLN A 89 -0.815 -12.663 -10.703 1.00 11.24 H new ATOM 1415 N LEU A 90 -0.856 -9.404 -4.800 1.00 64.14 N ATOM 1416 CA LEU A 90 -0.188 -9.054 -3.578 1.00 51.41 C ATOM 1417 C LEU A 90 -1.184 -8.809 -2.465 1.00 5.13 C ATOM 1418 O LEU A 90 -2.157 -8.073 -2.628 1.00 44.22 O ATOM 1419 CB LEU A 90 0.605 -7.786 -3.899 1.00 12.11 C ATOM 1420 CG LEU A 90 1.743 -7.994 -4.910 1.00 11.44 C ATOM 1421 CD1 LEU A 90 1.974 -9.374 -5.519 1.00 43.20 C ATOM 1422 CD2 LEU A 90 2.206 -6.783 -5.712 1.00 15.45 C ATOM 0 H LEU A 90 -0.672 -8.719 -5.533 1.00 64.14 H new ATOM 0 HA LEU A 90 0.462 -9.856 -3.228 1.00 51.41 H new ATOM 0 HB2 LEU A 90 -0.079 -7.032 -4.289 1.00 12.11 H new ATOM 0 HB3 LEU A 90 1.024 -7.389 -2.974 1.00 12.11 H new ATOM 0 HG LEU A 90 2.537 -8.065 -4.167 1.00 11.44 H new ATOM 0 HD11 LEU A 90 2.817 -9.331 -6.209 1.00 43.20 H new ATOM 0 HD12 LEU A 90 2.190 -10.090 -4.726 1.00 43.20 H new ATOM 0 HD13 LEU A 90 1.080 -9.688 -6.058 1.00 43.20 H new ATOM 0 HD21 LEU A 90 3.012 -7.078 -6.384 1.00 15.45 H new ATOM 0 HD22 LEU A 90 1.372 -6.393 -6.295 1.00 15.45 H new ATOM 0 HD23 LEU A 90 2.565 -6.011 -5.031 1.00 15.45 H new ATOM 1434 N ASN A 91 -0.876 -9.381 -1.310 1.00 13.43 N ATOM 1435 CA ASN A 91 -1.594 -9.178 -0.064 1.00 2.32 C ATOM 1436 C ASN A 91 -1.485 -7.705 0.322 1.00 1.21 C ATOM 1437 O ASN A 91 -0.365 -7.214 0.510 1.00 35.24 O ATOM 1438 CB ASN A 91 -0.928 -10.051 1.001 1.00 3.21 C ATOM 1439 CG ASN A 91 -1.759 -10.176 2.266 1.00 72.14 C ATOM 1440 OD1 ASN A 91 -2.818 -9.573 2.392 1.00 35.23 O ATOM 1441 ND2 ASN A 91 -1.283 -10.959 3.217 1.00 51.44 N ATOM 0 H ASN A 91 -0.089 -10.023 -1.213 1.00 13.43 H new ATOM 0 HA ASN A 91 -2.646 -9.445 -0.160 1.00 2.32 H new ATOM 0 HB2 ASN A 91 -0.750 -11.045 0.590 1.00 3.21 H new ATOM 0 HB3 ASN A 91 0.046 -9.630 1.252 1.00 3.21 H new ATOM 0 HD21 ASN A 91 -1.801 -11.076 4.088 1.00 51.44 H new ATOM 0 HD22 ASN A 91 -0.398 -11.447 3.080 1.00 51.44 H new ATOM 1448 N ILE A 92 -2.582 -6.950 0.319 1.00 64.14 N ATOM 1449 CA ILE A 92 -2.566 -5.581 0.834 1.00 44.53 C ATOM 1450 C ILE A 92 -2.664 -5.745 2.341 1.00 23.21 C ATOM 1451 O ILE A 92 -3.679 -6.254 2.821 1.00 11.23 O ATOM 1452 CB ILE A 92 -3.699 -4.699 0.257 1.00 74.04 C ATOM 1453 CG1 ILE A 92 -3.635 -4.667 -1.286 1.00 1.02 C ATOM 1454 CG2 ILE A 92 -3.598 -3.264 0.814 1.00 24.23 C ATOM 1455 CD1 ILE A 92 -4.733 -3.833 -1.946 1.00 72.12 C ATOM 0 H ILE A 92 -3.488 -7.260 -0.032 1.00 64.14 H new ATOM 0 HA ILE A 92 -1.662 -5.051 0.535 1.00 44.53 H new ATOM 0 HB ILE A 92 -4.653 -5.132 0.558 1.00 74.04 H new ATOM 0 HG12 ILE A 92 -2.665 -4.274 -1.589 1.00 1.02 H new ATOM 0 HG13 ILE A 92 -3.696 -5.688 -1.661 1.00 1.02 H new ATOM 0 HG21 ILE A 92 -4.401 -2.655 0.399 1.00 24.23 H new ATOM 0 HG22 ILE A 92 -3.685 -3.288 1.900 1.00 24.23 H new ATOM 0 HG23 ILE A 92 -2.636 -2.833 0.537 1.00 24.23 H new ATOM 0 HD11 ILE A 92 -4.613 -3.865 -3.029 1.00 72.12 H new ATOM 0 HD12 ILE A 92 -5.709 -4.238 -1.677 1.00 72.12 H new ATOM 0 HD13 ILE A 92 -4.661 -2.801 -1.604 1.00 72.12 H new ATOM 1467 N LEU A 93 -1.600 -5.390 3.056 1.00 63.35 N ATOM 1468 CA LEU A 93 -1.636 -5.198 4.492 1.00 75.02 C ATOM 1469 C LEU A 93 -1.962 -3.733 4.762 1.00 14.45 C ATOM 1470 O LEU A 93 -1.736 -2.850 3.928 1.00 52.34 O ATOM 1471 CB LEU A 93 -0.286 -5.582 5.121 1.00 63.40 C ATOM 1472 CG LEU A 93 -0.210 -7.025 5.644 1.00 54.44 C ATOM 1473 CD1 LEU A 93 -0.699 -8.093 4.667 1.00 25.13 C ATOM 1474 CD2 LEU A 93 1.236 -7.337 6.045 1.00 62.44 C ATOM 0 H LEU A 93 -0.681 -5.227 2.644 1.00 63.35 H new ATOM 0 HA LEU A 93 -2.397 -5.837 4.939 1.00 75.02 H new ATOM 0 HB2 LEU A 93 0.500 -5.437 4.380 1.00 63.40 H new ATOM 0 HB3 LEU A 93 -0.077 -4.900 5.945 1.00 63.40 H new ATOM 0 HG LEU A 93 -0.890 -7.068 6.495 1.00 54.44 H new ATOM 0 HD11 LEU A 93 -0.606 -9.077 5.127 1.00 25.13 H new ATOM 0 HD12 LEU A 93 -1.743 -7.907 4.417 1.00 25.13 H new ATOM 0 HD13 LEU A 93 -0.097 -8.059 3.759 1.00 25.13 H new ATOM 0 HD21 LEU A 93 1.298 -8.360 6.417 1.00 62.44 H new ATOM 0 HD22 LEU A 93 1.886 -7.227 5.177 1.00 62.44 H new ATOM 0 HD23 LEU A 93 1.554 -6.647 6.826 1.00 62.44 H new ATOM 1486 N ASP A 94 -2.476 -3.489 5.958 1.00 21.10 N ATOM 1487 CA ASP A 94 -2.725 -2.164 6.504 1.00 73.35 C ATOM 1488 C ASP A 94 -1.503 -1.666 7.279 1.00 51.23 C ATOM 1489 O ASP A 94 -0.458 -2.320 7.334 1.00 72.30 O ATOM 1490 CB ASP A 94 -3.996 -2.167 7.377 1.00 43.35 C ATOM 1491 CG ASP A 94 -3.875 -2.869 8.734 1.00 52.32 C ATOM 1492 OD1 ASP A 94 -2.803 -3.403 9.077 1.00 64.42 O ATOM 1493 OD2 ASP A 94 -4.869 -2.898 9.488 1.00 51.23 O ATOM 0 H ASP A 94 -2.741 -4.237 6.599 1.00 21.10 H new ATOM 0 HA ASP A 94 -2.897 -1.470 5.681 1.00 73.35 H new ATOM 0 HB2 ASP A 94 -4.297 -1.134 7.550 1.00 43.35 H new ATOM 0 HB3 ASP A 94 -4.799 -2.643 6.814 1.00 43.35 H new ATOM 1498 N ALA A 95 -1.664 -0.504 7.915 1.00 2.35 N ATOM 1499 CA ALA A 95 -0.649 0.165 8.729 1.00 20.04 C ATOM 1500 C ALA A 95 -0.248 -0.588 10.010 1.00 63.35 C ATOM 1501 O ALA A 95 0.549 -0.058 10.795 1.00 11.43 O ATOM 1502 CB ALA A 95 -1.138 1.574 9.088 1.00 53.51 C ATOM 0 H ALA A 95 -2.540 0.017 7.875 1.00 2.35 H new ATOM 0 HA ALA A 95 0.253 0.199 8.118 1.00 20.04 H new ATOM 0 HB1 ALA A 95 -0.385 2.077 9.695 1.00 53.51 H new ATOM 0 HB2 ALA A 95 -1.308 2.144 8.175 1.00 53.51 H new ATOM 0 HB3 ALA A 95 -2.069 1.504 9.650 1.00 53.51 H new ATOM 1508 N GLU A 96 -0.795 -1.781 10.252 1.00 43.35 N ATOM 1509 CA GLU A 96 -0.422 -2.661 11.347 1.00 0.30 C ATOM 1510 C GLU A 96 0.019 -4.043 10.869 1.00 4.34 C ATOM 1511 O GLU A 96 0.711 -4.740 11.615 1.00 4.00 O ATOM 1512 CB GLU A 96 -1.573 -2.783 12.352 1.00 44.52 C ATOM 1513 CG GLU A 96 -1.790 -1.491 13.152 1.00 31.43 C ATOM 1514 CD GLU A 96 -2.215 -1.806 14.584 1.00 24.21 C ATOM 1515 OE1 GLU A 96 -1.309 -2.001 15.426 1.00 71.02 O ATOM 1516 OE2 GLU A 96 -3.433 -1.873 14.874 1.00 33.33 O ATOM 0 H GLU A 96 -1.535 -2.169 9.667 1.00 43.35 H new ATOM 0 HA GLU A 96 0.439 -2.207 11.839 1.00 0.30 H new ATOM 0 HB2 GLU A 96 -2.490 -3.037 11.821 1.00 44.52 H new ATOM 0 HB3 GLU A 96 -1.366 -3.603 13.040 1.00 44.52 H new ATOM 0 HG2 GLU A 96 -0.871 -0.905 13.161 1.00 31.43 H new ATOM 0 HG3 GLU A 96 -2.552 -0.881 12.667 1.00 31.43 H new ATOM 1523 N GLY A 97 -0.340 -4.449 9.655 1.00 1.13 N ATOM 1524 CA GLY A 97 -0.054 -5.757 9.107 1.00 23.40 C ATOM 1525 C GLY A 97 -1.253 -6.705 9.093 1.00 54.14 C ATOM 1526 O GLY A 97 -1.046 -7.914 8.981 1.00 15.40 O ATOM 0 H GLY A 97 -0.855 -3.851 9.009 1.00 1.13 H new ATOM 0 HA2 GLY A 97 0.314 -5.639 8.088 1.00 23.40 H new ATOM 0 HA3 GLY A 97 0.749 -6.213 9.685 1.00 23.40 H new ATOM 1530 N ASN A 98 -2.484 -6.200 9.224 1.00 23.33 N ATOM 1531 CA ASN A 98 -3.690 -6.991 8.949 1.00 54.14 C ATOM 1532 C ASN A 98 -3.971 -6.941 7.446 1.00 63.22 C ATOM 1533 O ASN A 98 -3.842 -5.861 6.870 1.00 14.02 O ATOM 1534 CB ASN A 98 -4.914 -6.422 9.679 1.00 44.43 C ATOM 1535 CG ASN A 98 -4.668 -6.147 11.152 1.00 44.30 C ATOM 1536 OD1 ASN A 98 -4.511 -7.061 11.962 1.00 3.50 O ATOM 1537 ND2 ASN A 98 -4.595 -4.879 11.509 1.00 21.01 N ATOM 0 H ASN A 98 -2.673 -5.242 9.520 1.00 23.33 H new ATOM 0 HA ASN A 98 -3.517 -8.010 9.295 1.00 54.14 H new ATOM 0 HB2 ASN A 98 -5.220 -5.497 9.191 1.00 44.43 H new ATOM 0 HB3 ASN A 98 -5.743 -7.123 9.582 1.00 44.43 H new ATOM 0 HD21 ASN A 98 -4.404 -4.633 12.480 1.00 21.01 H new ATOM 0 HD22 ASN A 98 -4.730 -4.145 10.814 1.00 21.01 H new ATOM 1544 N SER A 99 -4.374 -8.045 6.803 1.00 74.41 N ATOM 1545 CA SER A 99 -4.744 -8.014 5.385 1.00 20.12 C ATOM 1546 C SER A 99 -6.103 -7.317 5.168 1.00 74.31 C ATOM 1547 O SER A 99 -7.050 -7.589 5.912 1.00 22.31 O ATOM 1548 CB SER A 99 -4.692 -9.418 4.767 1.00 73.52 C ATOM 1549 OG SER A 99 -5.595 -10.363 5.307 1.00 32.12 O ATOM 0 H SER A 99 -4.451 -8.964 7.240 1.00 74.41 H new ATOM 0 HA SER A 99 -4.004 -7.412 4.857 1.00 20.12 H new ATOM 0 HB2 SER A 99 -4.884 -9.331 3.698 1.00 73.52 H new ATOM 0 HB3 SER A 99 -3.680 -9.806 4.879 1.00 73.52 H new ATOM 0 HG SER A 99 -5.485 -11.221 4.847 1.00 32.12 H new ATOM 1555 N ILE A 100 -6.214 -6.463 4.141 1.00 4.15 N ATOM 1556 CA ILE A 100 -7.396 -5.670 3.768 1.00 24.34 C ATOM 1557 C ILE A 100 -7.623 -5.696 2.244 1.00 21.35 C ATOM 1558 O ILE A 100 -6.803 -6.207 1.472 1.00 11.41 O ATOM 1559 CB ILE A 100 -7.276 -4.218 4.303 1.00 73.22 C ATOM 1560 CG1 ILE A 100 -5.935 -3.552 3.919 1.00 11.43 C ATOM 1561 CG2 ILE A 100 -7.513 -4.186 5.822 1.00 63.20 C ATOM 1562 CD1 ILE A 100 -5.967 -2.027 4.066 1.00 12.30 C ATOM 0 H ILE A 100 -5.432 -6.296 3.508 1.00 4.15 H new ATOM 0 HA ILE A 100 -8.271 -6.123 4.234 1.00 24.34 H new ATOM 0 HB ILE A 100 -8.054 -3.626 3.820 1.00 73.22 H new ATOM 0 HG12 ILE A 100 -5.141 -3.957 4.546 1.00 11.43 H new ATOM 0 HG13 ILE A 100 -5.689 -3.808 2.888 1.00 11.43 H new ATOM 0 HG21 ILE A 100 -7.426 -3.161 6.182 1.00 63.20 H new ATOM 0 HG22 ILE A 100 -8.511 -4.564 6.043 1.00 63.20 H new ATOM 0 HG23 ILE A 100 -6.770 -4.810 6.319 1.00 63.20 H new ATOM 0 HD11 ILE A 100 -4.999 -1.614 3.783 1.00 12.30 H new ATOM 0 HD12 ILE A 100 -6.741 -1.615 3.418 1.00 12.30 H new ATOM 0 HD13 ILE A 100 -6.184 -1.766 5.102 1.00 12.30 H new ATOM 1574 N ASP A 101 -8.771 -5.173 1.817 1.00 2.34 N ATOM 1575 CA ASP A 101 -9.185 -4.940 0.437 1.00 33.05 C ATOM 1576 C ASP A 101 -8.754 -3.533 0.013 1.00 15.14 C ATOM 1577 O ASP A 101 -8.630 -2.636 0.843 1.00 23.33 O ATOM 1578 CB ASP A 101 -10.718 -4.953 0.337 1.00 43.00 C ATOM 1579 CG ASP A 101 -11.422 -6.297 0.506 1.00 62.21 C ATOM 1580 OD1 ASP A 101 -10.781 -7.356 0.684 1.00 35.35 O ATOM 1581 OD2 ASP A 101 -12.674 -6.278 0.528 1.00 32.42 O ATOM 0 H ASP A 101 -9.490 -4.879 2.478 1.00 2.34 H new ATOM 0 HA ASP A 101 -8.738 -5.715 -0.186 1.00 33.05 H new ATOM 0 HB2 ASP A 101 -11.110 -4.270 1.091 1.00 43.00 H new ATOM 0 HB3 ASP A 101 -10.995 -4.547 -0.636 1.00 43.00 H new ATOM 1586 N ALA A 102 -8.650 -3.288 -1.294 1.00 73.03 N ATOM 1587 CA ALA A 102 -8.261 -1.991 -1.840 1.00 60.33 C ATOM 1588 C ALA A 102 -9.371 -0.936 -1.745 1.00 15.10 C ATOM 1589 O ALA A 102 -9.058 0.256 -1.751 1.00 65.22 O ATOM 1590 CB ALA A 102 -7.843 -2.163 -3.304 1.00 65.10 C ATOM 0 H ALA A 102 -8.836 -3.992 -2.008 1.00 73.03 H new ATOM 0 HA ALA A 102 -7.429 -1.628 -1.237 1.00 60.33 H new ATOM 0 HB1 ALA A 102 -7.552 -1.196 -3.715 1.00 65.10 H new ATOM 0 HB2 ALA A 102 -7.000 -2.851 -3.363 1.00 65.10 H new ATOM 0 HB3 ALA A 102 -8.679 -2.564 -3.877 1.00 65.10 H new ATOM 1596 N ALA A 103 -10.653 -1.339 -1.689 1.00 44.32 N ATOM 1597 CA ALA A 103 -11.771 -0.399 -1.538 1.00 0.24 C ATOM 1598 C ALA A 103 -11.570 0.435 -0.281 1.00 10.34 C ATOM 1599 O ALA A 103 -11.619 1.662 -0.325 1.00 13.14 O ATOM 1600 CB ALA A 103 -13.112 -1.137 -1.440 1.00 25.11 C ATOM 0 H ALA A 103 -10.938 -2.317 -1.747 1.00 44.32 H new ATOM 0 HA ALA A 103 -11.792 0.243 -2.419 1.00 0.24 H new ATOM 0 HB1 ALA A 103 -13.919 -0.412 -1.329 1.00 25.11 H new ATOM 0 HB2 ALA A 103 -13.272 -1.722 -2.345 1.00 25.11 H new ATOM 0 HB3 ALA A 103 -13.099 -1.801 -0.576 1.00 25.11 H new ATOM 1606 N GLN A 104 -11.265 -0.269 0.811 1.00 62.44 N ATOM 1607 CA GLN A 104 -11.091 0.221 2.170 1.00 3.33 C ATOM 1608 C GLN A 104 -9.856 1.125 2.314 1.00 3.01 C ATOM 1609 O GLN A 104 -9.518 1.529 3.429 1.00 65.42 O ATOM 1610 CB GLN A 104 -11.017 -1.004 3.102 1.00 10.44 C ATOM 1611 CG GLN A 104 -12.252 -1.920 2.980 1.00 23.32 C ATOM 1612 CD GLN A 104 -12.934 -2.194 4.313 1.00 54.11 C ATOM 1613 OE1 GLN A 104 -14.025 -1.698 4.578 1.00 34.33 O ATOM 1614 NE2 GLN A 104 -12.318 -3.011 5.145 1.00 62.21 N ATOM 0 H GLN A 104 -11.123 -1.278 0.758 1.00 62.44 H new ATOM 0 HA GLN A 104 -11.938 0.850 2.443 1.00 3.33 H new ATOM 0 HB2 GLN A 104 -10.120 -1.578 2.870 1.00 10.44 H new ATOM 0 HB3 GLN A 104 -10.921 -0.665 4.134 1.00 10.44 H new ATOM 0 HG2 GLN A 104 -12.970 -1.461 2.300 1.00 23.32 H new ATOM 0 HG3 GLN A 104 -11.950 -2.867 2.533 1.00 23.32 H new ATOM 0 HE21 GLN A 104 -11.412 -3.406 4.894 1.00 62.21 H new ATOM 0 HE22 GLN A 104 -12.748 -3.248 6.039 1.00 62.21 H new ATOM 1623 N VAL A 105 -9.181 1.437 1.204 1.00 72.02 N ATOM 1624 CA VAL A 105 -8.054 2.346 1.109 1.00 2.12 C ATOM 1625 C VAL A 105 -8.410 3.539 0.220 1.00 2.00 C ATOM 1626 O VAL A 105 -8.185 4.685 0.597 1.00 1.34 O ATOM 1627 CB VAL A 105 -6.829 1.587 0.568 1.00 33.41 C ATOM 1628 CG1 VAL A 105 -5.597 2.488 0.579 1.00 63.24 C ATOM 1629 CG2 VAL A 105 -6.508 0.302 1.343 1.00 21.51 C ATOM 0 H VAL A 105 -9.427 1.034 0.300 1.00 72.02 H new ATOM 0 HA VAL A 105 -7.810 2.734 2.098 1.00 2.12 H new ATOM 0 HB VAL A 105 -7.089 1.297 -0.450 1.00 33.41 H new ATOM 0 HG11 VAL A 105 -4.739 1.936 0.194 1.00 63.24 H new ATOM 0 HG12 VAL A 105 -5.779 3.361 -0.048 1.00 63.24 H new ATOM 0 HG13 VAL A 105 -5.392 2.811 1.600 1.00 63.24 H new ATOM 0 HG21 VAL A 105 -5.633 -0.178 0.905 1.00 21.51 H new ATOM 0 HG22 VAL A 105 -6.303 0.547 2.385 1.00 21.51 H new ATOM 0 HG23 VAL A 105 -7.359 -0.377 1.290 1.00 21.51 H new ATOM 1639 N THR A 106 -8.921 3.314 -0.991 1.00 35.21 N ATOM 1640 CA THR A 106 -9.121 4.422 -1.926 1.00 60.14 C ATOM 1641 C THR A 106 -10.379 5.247 -1.624 1.00 60.34 C ATOM 1642 O THR A 106 -10.579 6.283 -2.267 1.00 43.11 O ATOM 1643 CB THR A 106 -9.071 3.930 -3.384 1.00 12.42 C ATOM 1644 OG1 THR A 106 -9.909 2.809 -3.578 1.00 52.14 O ATOM 1645 CG2 THR A 106 -7.647 3.552 -3.809 1.00 55.35 C ATOM 0 H THR A 106 -9.198 2.397 -1.342 1.00 35.21 H new ATOM 0 HA THR A 106 -8.289 5.111 -1.784 1.00 60.14 H new ATOM 0 HB THR A 106 -9.420 4.760 -3.998 1.00 12.42 H new ATOM 0 HG1 THR A 106 -9.858 2.520 -4.513 1.00 52.14 H new ATOM 0 HG21 THR A 106 -7.655 3.210 -4.844 1.00 55.35 H new ATOM 0 HG22 THR A 106 -6.997 4.423 -3.720 1.00 55.35 H new ATOM 0 HG23 THR A 106 -7.275 2.754 -3.166 1.00 55.35 H new ATOM 1653 N GLU A 107 -11.231 4.797 -0.696 1.00 14.12 N ATOM 1654 CA GLU A 107 -12.447 5.502 -0.270 1.00 73.30 C ATOM 1655 C GLU A 107 -12.191 6.550 0.820 1.00 73.23 C ATOM 1656 O GLU A 107 -13.135 7.177 1.304 1.00 20.54 O ATOM 1657 CB GLU A 107 -13.519 4.493 0.198 1.00 60.43 C ATOM 1658 CG GLU A 107 -13.237 3.870 1.584 1.00 15.13 C ATOM 1659 CD GLU A 107 -14.406 3.060 2.158 1.00 14.11 C ATOM 1660 OE1 GLU A 107 -15.361 2.726 1.421 1.00 53.00 O ATOM 1661 OE2 GLU A 107 -14.394 2.819 3.390 1.00 45.11 O ATOM 0 H GLU A 107 -11.092 3.912 -0.208 1.00 14.12 H new ATOM 0 HA GLU A 107 -12.810 6.045 -1.143 1.00 73.30 H new ATOM 0 HB2 GLU A 107 -14.486 4.994 0.227 1.00 60.43 H new ATOM 0 HB3 GLU A 107 -13.596 3.694 -0.539 1.00 60.43 H new ATOM 0 HG2 GLU A 107 -12.363 3.222 1.508 1.00 15.13 H new ATOM 0 HG3 GLU A 107 -12.983 4.667 2.283 1.00 15.13 H new ATOM 1668 N ILE A 108 -10.941 6.657 1.257 1.00 31.52 N ATOM 1669 CA ILE A 108 -10.537 7.321 2.483 1.00 11.21 C ATOM 1670 C ILE A 108 -10.339 8.792 2.141 1.00 4.42 C ATOM 1671 O ILE A 108 -11.344 9.521 2.270 1.00 44.40 O ATOM 1672 CB ILE A 108 -9.351 6.583 3.116 1.00 41.20 C ATOM 1673 CG1 ILE A 108 -9.712 5.101 3.374 1.00 34.51 C ATOM 1674 CG2 ILE A 108 -8.890 7.213 4.440 1.00 71.31 C ATOM 1675 CD1 ILE A 108 -10.851 4.792 4.357 1.00 13.51 C ATOM 0 H ILE A 108 -10.152 6.266 0.743 1.00 31.52 H new ATOM 0 HA ILE A 108 -11.288 7.288 3.272 1.00 11.21 H new ATOM 0 HB ILE A 108 -8.531 6.661 2.402 1.00 41.20 H new ATOM 0 HG12 ILE A 108 -9.967 4.649 2.416 1.00 34.51 H new ATOM 0 HG13 ILE A 108 -8.815 4.598 3.735 1.00 34.51 H new ATOM 0 HG21 ILE A 108 -8.048 6.647 4.839 1.00 71.31 H new ATOM 0 HG22 ILE A 108 -8.583 8.244 4.265 1.00 71.31 H new ATOM 0 HG23 ILE A 108 -9.711 7.196 5.157 1.00 71.31 H new ATOM 0 HD11 ILE A 108 -10.984 3.713 4.432 1.00 13.51 H new ATOM 0 HD12 ILE A 108 -10.604 5.196 5.339 1.00 13.51 H new ATOM 0 HD13 ILE A 108 -11.774 5.248 3.999 1.00 13.51 H new TER 1687 ILE A 108