USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 937 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 110 HIS : no HD1:sc= -0.337 X(o=-0.44,f=-0.18) USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.0984 X(o=-0.44,f=-0.18) USER MOD Set 2.1: A 77 GLN : amide:sc= -0.278 K(o=-0.11,f=-8.9!) USER MOD Set 2.2: A 79 HIS : no HD1:sc= 0.17 K(o=-0.11,f=-14!) USER MOD Set 3.1: A 13 LYS NZ :NH3+ -120:sc= 1.76 (180deg=-0.698) USER MOD Set 3.2: A 24 MET CE :methyl -176:sc= -8.05! (180deg=-8.05!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -147:sc= -0.452 (180deg=-2.16!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.9!) USER MOD Single : A 20 THR OG1 : rot -93:sc= 0.0124 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= 0.0384 (180deg=0.00544) USER MOD Single : A 40 SER OG : rot 180:sc= -0.264 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -122:sc= -0.0859 (180deg=-0.704) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 170:sc= -0.423 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 78:sc= 1.15 USER MOD Single : A 57 SER OG : rot 36:sc= 0.46! USER MOD Single : A 59 CYS SG : rot -47:sc= -5.7! USER MOD Single : A 60 GLN : amide:sc= -2.52 X(o=-2.5,f=-2.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0843 USER MOD Single : A 73 THR OG1 : rot 143:sc= -1.9! USER MOD Single : A 74 THR OG1 : rot 7:sc= 0.0907! USER MOD Single : A 75 LYS NZ :NH3+ 164:sc=-0.00406 (180deg=-0.0891) USER MOD Single : A 76 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.6!) USER MOD Single : A 82 GLN : amide:sc= -0.8 K(o=-0.8,f=-1.6!) USER MOD Single : A 97 ASN :FLIP amide:sc=-0.000779 F(o=-0.74,f=-0.00078) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot -28:sc= 0.236 USER MOD Single : A 108 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.0067) USER MOD Single : A 109 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.0081) USER MOD Single : A 112 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.51) USER MOD Single : A 113 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.326 15.992 7.277 1.00 0.00 N ATOM 2 CA MET A 1 -15.949 15.601 5.981 1.00 0.00 C ATOM 3 C MET A 1 -15.494 14.191 5.600 1.00 0.00 C ATOM 4 O MET A 1 -14.646 14.011 4.748 1.00 0.00 O ATOM 5 CB MET A 1 -15.524 16.587 4.892 1.00 0.00 C ATOM 6 CG MET A 1 -16.695 17.511 4.553 1.00 0.00 C ATOM 7 SD MET A 1 -16.213 18.635 3.220 1.00 0.00 S ATOM 8 CE MET A 1 -17.855 19.321 2.896 1.00 0.00 C ATOM 0 H1 MET A 1 -15.635 16.951 7.536 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.617 15.323 8.018 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.290 15.976 7.183 1.00 0.00 H new ATOM 0 HA MET A 1 -17.034 15.617 6.081 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.671 17.174 5.231 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.205 16.046 4.001 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.561 16.922 4.251 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.989 18.081 5.434 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.791 20.053 2.091 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.533 18.519 2.604 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.232 19.805 3.797 1.00 0.00 H new ATOM 20 N GLU A 2 -16.051 13.190 6.224 1.00 0.00 N ATOM 21 CA GLU A 2 -15.652 11.791 5.898 1.00 0.00 C ATOM 22 C GLU A 2 -14.156 11.608 6.180 1.00 0.00 C ATOM 23 O GLU A 2 -13.427 12.573 6.291 1.00 0.00 O ATOM 24 CB GLU A 2 -15.932 11.503 4.419 1.00 0.00 C ATOM 25 CG GLU A 2 -17.107 12.358 3.941 1.00 0.00 C ATOM 26 CD GLU A 2 -17.950 11.556 2.948 1.00 0.00 C ATOM 27 OE1 GLU A 2 -18.112 10.366 3.165 1.00 0.00 O ATOM 28 OE2 GLU A 2 -18.420 12.145 1.989 1.00 0.00 O ATOM 0 H GLU A 2 -16.766 13.280 6.946 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.227 11.100 6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.046 11.719 3.822 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -16.159 10.446 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -17.718 12.663 4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.739 13.269 3.470 1.00 0.00 H new ATOM 35 N PRO A 3 -13.748 10.370 6.292 1.00 0.00 N ATOM 36 CA PRO A 3 -12.359 10.038 6.566 1.00 0.00 C ATOM 37 C PRO A 3 -11.507 10.229 5.307 1.00 0.00 C ATOM 38 O PRO A 3 -11.971 10.054 4.198 1.00 0.00 O ATOM 39 CB PRO A 3 -12.392 8.571 6.975 1.00 0.00 C ATOM 40 CG PRO A 3 -13.673 8.018 6.273 1.00 0.00 C ATOM 41 CD PRO A 3 -14.655 9.221 6.154 1.00 0.00 C ATOM 0 HA PRO A 3 -11.922 10.672 7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.496 8.044 6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.449 8.459 8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.434 7.612 5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.117 7.209 6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.179 9.227 5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.416 9.206 6.934 1.00 0.00 H new ATOM 49 N LYS A 4 -10.262 10.584 5.474 1.00 0.00 N ATOM 50 CA LYS A 4 -9.376 10.784 4.294 1.00 0.00 C ATOM 51 C LYS A 4 -8.285 9.713 4.298 1.00 0.00 C ATOM 52 O LYS A 4 -7.281 9.838 4.970 1.00 0.00 O ATOM 53 CB LYS A 4 -8.733 12.170 4.368 1.00 0.00 C ATOM 54 CG LYS A 4 -9.798 13.242 4.134 1.00 0.00 C ATOM 55 CD LYS A 4 -9.240 14.323 3.206 1.00 0.00 C ATOM 56 CE LYS A 4 -10.391 14.995 2.454 1.00 0.00 C ATOM 57 NZ LYS A 4 -11.254 13.950 1.832 1.00 0.00 N ATOM 0 H LYS A 4 -9.820 10.744 6.379 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.961 10.707 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.266 12.314 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.945 12.257 3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.689 12.794 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.099 13.684 5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.688 15.064 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.537 13.883 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.978 15.607 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.998 15.662 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.644 14.309 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.688 13.098 1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.033 13.713 2.479 1.00 0.00 H new ATOM 71 N ARG A 5 -8.478 8.656 3.558 1.00 0.00 N ATOM 72 CA ARG A 5 -7.458 7.570 3.522 1.00 0.00 C ATOM 73 C ARG A 5 -7.439 6.851 4.872 1.00 0.00 C ATOM 74 O ARG A 5 -7.482 7.471 5.917 1.00 0.00 O ATOM 75 CB ARG A 5 -6.077 8.168 3.241 1.00 0.00 C ATOM 76 CG ARG A 5 -6.162 9.110 2.037 1.00 0.00 C ATOM 77 CD ARG A 5 -5.630 10.490 2.430 1.00 0.00 C ATOM 78 NE ARG A 5 -6.581 11.538 1.966 1.00 0.00 N ATOM 79 CZ ARG A 5 -6.216 12.791 1.949 1.00 0.00 C ATOM 80 NH1 ARG A 5 -5.889 13.389 3.063 1.00 0.00 N ATOM 81 NH2 ARG A 5 -6.175 13.444 0.821 1.00 0.00 N ATOM 0 H ARG A 5 -9.300 8.497 2.975 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.709 6.861 2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.719 8.711 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.358 7.373 3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.582 8.708 1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.194 9.190 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.506 10.549 3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.648 10.653 1.987 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.519 11.276 1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -5.919 12.877 3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.604 14.368 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.428 12.976 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.890 14.423 0.809 1.00 0.00 H new ATOM 95 N ILE A 6 -7.380 5.548 4.861 1.00 0.00 N ATOM 96 CA ILE A 6 -7.365 4.792 6.145 1.00 0.00 C ATOM 97 C ILE A 6 -6.004 4.954 6.824 1.00 0.00 C ATOM 98 O ILE A 6 -5.908 5.442 7.933 1.00 0.00 O ATOM 99 CB ILE A 6 -7.621 3.310 5.866 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.942 3.155 5.109 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.703 2.549 7.190 1.00 0.00 C ATOM 102 CD1 ILE A 6 -10.106 3.521 6.032 1.00 0.00 C ATOM 0 H ILE A 6 -7.342 4.974 4.019 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.144 5.181 6.801 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.806 2.908 5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.946 3.798 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.053 2.130 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.885 1.493 6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.764 2.660 7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.518 2.951 7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.047 3.411 5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.105 2.860 6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.997 4.554 6.363 1.00 0.00 H new ATOM 114 N ARG A 7 -4.950 4.545 6.173 1.00 0.00 N ATOM 115 CA ARG A 7 -3.600 4.672 6.790 1.00 0.00 C ATOM 116 C ARG A 7 -2.707 5.538 5.899 1.00 0.00 C ATOM 117 O ARG A 7 -2.663 5.369 4.698 1.00 0.00 O ATOM 118 CB ARG A 7 -2.979 3.285 6.945 1.00 0.00 C ATOM 119 CG ARG A 7 -2.937 2.911 8.424 1.00 0.00 C ATOM 120 CD ARG A 7 -1.596 3.345 9.012 1.00 0.00 C ATOM 121 NE ARG A 7 -1.763 4.642 9.725 1.00 0.00 N ATOM 122 CZ ARG A 7 -1.008 4.926 10.751 1.00 0.00 C ATOM 123 NH1 ARG A 7 0.158 5.483 10.570 1.00 0.00 N ATOM 124 NH2 ARG A 7 -1.419 4.650 11.959 1.00 0.00 N ATOM 0 H ARG A 7 -4.965 4.129 5.242 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.692 5.140 7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.561 2.550 6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.972 3.277 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.755 3.394 8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.070 1.836 8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.225 2.585 9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.855 3.446 8.219 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.468 5.309 9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.480 5.697 9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.747 5.705 11.372 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.330 4.213 12.100 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.830 4.872 12.761 1.00 0.00 H new ATOM 138 N GLU A 8 -1.995 6.464 6.481 1.00 0.00 N ATOM 139 CA GLU A 8 -1.104 7.340 5.669 1.00 0.00 C ATOM 140 C GLU A 8 0.150 7.674 6.471 1.00 0.00 C ATOM 141 O GLU A 8 0.079 8.102 7.606 1.00 0.00 O ATOM 142 CB GLU A 8 -1.836 8.634 5.316 1.00 0.00 C ATOM 143 CG GLU A 8 -2.720 9.061 6.490 1.00 0.00 C ATOM 144 CD GLU A 8 -3.996 8.218 6.503 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.256 7.558 5.509 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.691 8.244 7.506 1.00 0.00 O ATOM 0 H GLU A 8 -1.992 6.652 7.484 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.826 6.819 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.116 9.419 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.445 8.487 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.180 8.937 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.971 10.118 6.404 1.00 0.00 H new ATOM 153 N GLY A 9 1.299 7.482 5.892 1.00 0.00 N ATOM 154 CA GLY A 9 2.558 7.790 6.613 1.00 0.00 C ATOM 155 C GLY A 9 3.685 7.947 5.597 1.00 0.00 C ATOM 156 O GLY A 9 3.480 8.402 4.490 1.00 0.00 O ATOM 0 H GLY A 9 1.419 7.123 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.445 8.705 7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.794 6.992 7.317 1.00 0.00 H new ATOM 160 N TYR A 10 4.872 7.571 5.964 1.00 0.00 N ATOM 161 CA TYR A 10 6.018 7.695 5.023 1.00 0.00 C ATOM 162 C TYR A 10 6.864 6.422 5.064 1.00 0.00 C ATOM 163 O TYR A 10 7.684 6.236 5.940 1.00 0.00 O ATOM 164 CB TYR A 10 6.881 8.891 5.429 1.00 0.00 C ATOM 165 CG TYR A 10 7.078 8.882 6.926 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.007 9.194 7.775 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.330 8.560 7.467 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.189 9.184 9.164 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.511 8.549 8.856 1.00 0.00 C ATOM 170 CZ TYR A 10 7.441 8.861 9.705 1.00 0.00 C ATOM 171 OH TYR A 10 7.619 8.850 11.073 1.00 0.00 O ATOM 0 H TYR A 10 5.102 7.181 6.878 1.00 0.00 H new ATOM 0 HA TYR A 10 5.638 7.842 4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.846 8.845 4.924 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.403 9.820 5.120 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.042 9.442 7.358 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.155 8.320 6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.364 9.425 9.818 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.476 8.300 9.273 1.00 0.00 H new ATOM 0 HH TYR A 10 8.545 8.605 11.280 1.00 0.00 H new ATOM 181 N LEU A 11 6.682 5.549 4.110 1.00 0.00 N ATOM 182 CA LEU A 11 7.488 4.296 4.080 1.00 0.00 C ATOM 183 C LEU A 11 8.365 4.325 2.831 1.00 0.00 C ATOM 184 O LEU A 11 8.036 4.969 1.860 1.00 0.00 O ATOM 185 CB LEU A 11 6.565 3.069 4.032 1.00 0.00 C ATOM 186 CG LEU A 11 5.520 3.119 5.161 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.099 3.778 6.416 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.300 3.907 4.682 1.00 0.00 C ATOM 0 H LEU A 11 6.009 5.650 3.350 1.00 0.00 H new ATOM 0 HA LEU A 11 8.102 4.230 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.061 3.027 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.159 2.159 4.122 1.00 0.00 H new ATOM 0 HG LEU A 11 5.230 2.099 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.340 3.801 7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.960 3.207 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.409 4.796 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.556 3.946 5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.602 4.921 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.871 3.417 3.808 1.00 0.00 H new ATOM 200 N VAL A 12 9.480 3.650 2.840 1.00 0.00 N ATOM 201 CA VAL A 12 10.360 3.678 1.636 1.00 0.00 C ATOM 202 C VAL A 12 10.051 2.486 0.731 1.00 0.00 C ATOM 203 O VAL A 12 9.811 1.389 1.192 1.00 0.00 O ATOM 204 CB VAL A 12 11.827 3.632 2.067 1.00 0.00 C ATOM 205 CG1 VAL A 12 12.059 2.418 2.964 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.716 3.529 0.827 1.00 0.00 C ATOM 0 H VAL A 12 9.819 3.085 3.619 1.00 0.00 H new ATOM 0 HA VAL A 12 10.175 4.599 1.084 1.00 0.00 H new ATOM 0 HB VAL A 12 12.073 4.540 2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.105 2.386 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.424 2.491 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.814 1.508 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.762 3.496 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.469 2.621 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.551 4.397 0.188 1.00 0.00 H new ATOM 216 N LYS A 13 10.052 2.697 -0.558 1.00 0.00 N ATOM 217 CA LYS A 13 9.754 1.577 -1.495 1.00 0.00 C ATOM 218 C LYS A 13 10.916 1.401 -2.473 1.00 0.00 C ATOM 219 O LYS A 13 11.808 2.223 -2.547 1.00 0.00 O ATOM 220 CB LYS A 13 8.477 1.895 -2.277 1.00 0.00 C ATOM 221 CG LYS A 13 7.278 1.875 -1.328 1.00 0.00 C ATOM 222 CD LYS A 13 6.132 1.089 -1.968 1.00 0.00 C ATOM 223 CE LYS A 13 4.802 1.554 -1.376 1.00 0.00 C ATOM 224 NZ LYS A 13 4.588 2.992 -1.708 1.00 0.00 N ATOM 0 H LYS A 13 10.246 3.595 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 13 9.617 0.657 -0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.562 2.873 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.335 1.165 -3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.560 1.419 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.957 2.893 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.133 1.238 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.267 0.022 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.984 0.952 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.804 1.415 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.508 3.543 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.393 3.343 -2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.713 3.094 -2.262 1.00 0.00 H new ATOM 238 N LYS A 14 10.911 0.336 -3.227 1.00 0.00 N ATOM 239 CA LYS A 14 12.015 0.111 -4.202 1.00 0.00 C ATOM 240 C LYS A 14 11.705 0.858 -5.501 1.00 0.00 C ATOM 241 O LYS A 14 10.769 0.537 -6.205 1.00 0.00 O ATOM 242 CB LYS A 14 12.142 -1.386 -4.493 1.00 0.00 C ATOM 243 CG LYS A 14 13.618 -1.746 -4.674 1.00 0.00 C ATOM 244 CD LYS A 14 14.018 -1.534 -6.135 1.00 0.00 C ATOM 245 CE LYS A 14 14.078 -2.886 -6.848 1.00 0.00 C ATOM 246 NZ LYS A 14 13.462 -2.762 -8.199 1.00 0.00 N ATOM 0 H LYS A 14 10.191 -0.387 -3.210 1.00 0.00 H new ATOM 0 HA LYS A 14 12.951 0.480 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.713 -1.964 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.581 -1.642 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.237 -1.128 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.789 -2.783 -4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.298 -0.882 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.987 -1.039 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.113 -3.217 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.551 -3.641 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.502 -3.681 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.470 -2.465 -8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.983 -2.054 -8.754 1.00 0.00 H new ATOM 260 N GLY A 15 12.483 1.855 -5.823 1.00 0.00 N ATOM 261 CA GLY A 15 12.231 2.622 -7.075 1.00 0.00 C ATOM 262 C GLY A 15 12.639 1.780 -8.287 1.00 0.00 C ATOM 263 O GLY A 15 13.486 0.914 -8.196 1.00 0.00 O ATOM 0 H GLY A 15 13.282 2.171 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.176 2.888 -7.144 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.795 3.555 -7.061 1.00 0.00 H new ATOM 267 N SER A 16 12.044 2.030 -9.421 1.00 0.00 N ATOM 268 CA SER A 16 12.398 1.245 -10.637 1.00 0.00 C ATOM 269 C SER A 16 13.825 1.588 -11.069 1.00 0.00 C ATOM 270 O SER A 16 14.623 0.719 -11.359 1.00 0.00 O ATOM 271 CB SER A 16 11.427 1.591 -11.767 1.00 0.00 C ATOM 272 OG SER A 16 11.494 0.585 -12.769 1.00 0.00 O ATOM 0 H SER A 16 11.328 2.744 -9.558 1.00 0.00 H new ATOM 0 HA SER A 16 12.332 0.180 -10.414 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.411 1.667 -11.379 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.678 2.562 -12.193 1.00 0.00 H new ATOM 0 HG SER A 16 10.871 0.803 -13.494 1.00 0.00 H new ATOM 278 N VAL A 17 14.154 2.851 -11.114 1.00 0.00 N ATOM 279 CA VAL A 17 15.529 3.247 -11.527 1.00 0.00 C ATOM 280 C VAL A 17 16.555 2.449 -10.718 1.00 0.00 C ATOM 281 O VAL A 17 16.864 2.779 -9.590 1.00 0.00 O ATOM 282 CB VAL A 17 15.724 4.744 -11.274 1.00 0.00 C ATOM 283 CG1 VAL A 17 15.216 5.099 -9.876 1.00 0.00 C ATOM 284 CG2 VAL A 17 17.212 5.092 -11.377 1.00 0.00 C ATOM 0 H VAL A 17 13.530 3.624 -10.883 1.00 0.00 H new ATOM 0 HA VAL A 17 15.666 3.038 -12.588 1.00 0.00 H new ATOM 0 HB VAL A 17 15.165 5.311 -12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.356 6.165 -9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.156 4.854 -9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.773 4.531 -9.131 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.350 6.158 -11.197 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.771 4.523 -10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.576 4.843 -12.374 1.00 0.00 H new ATOM 294 N PHE A 18 17.085 1.400 -11.285 1.00 0.00 N ATOM 295 CA PHE A 18 18.089 0.584 -10.547 1.00 0.00 C ATOM 296 C PHE A 18 17.450 0.011 -9.281 1.00 0.00 C ATOM 297 O PHE A 18 16.449 0.505 -8.801 1.00 0.00 O ATOM 298 CB PHE A 18 19.279 1.464 -10.161 1.00 0.00 C ATOM 299 CG PHE A 18 20.211 1.599 -11.341 1.00 0.00 C ATOM 300 CD1 PHE A 18 19.775 2.238 -12.509 1.00 0.00 C ATOM 301 CD2 PHE A 18 21.513 1.086 -11.267 1.00 0.00 C ATOM 302 CE1 PHE A 18 20.640 2.364 -13.604 1.00 0.00 C ATOM 303 CE2 PHE A 18 22.378 1.212 -12.362 1.00 0.00 C ATOM 304 CZ PHE A 18 21.942 1.852 -13.531 1.00 0.00 C ATOM 0 H PHE A 18 16.866 1.073 -12.226 1.00 0.00 H new ATOM 0 HA PHE A 18 18.431 -0.232 -11.184 1.00 0.00 H new ATOM 0 HB2 PHE A 18 18.930 2.447 -9.846 1.00 0.00 H new ATOM 0 HB3 PHE A 18 19.808 1.027 -9.314 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.772 2.634 -12.565 1.00 0.00 H new ATOM 0 HD2 PHE A 18 21.849 0.594 -10.366 1.00 0.00 H new ATOM 0 HE1 PHE A 18 20.303 2.856 -14.504 1.00 0.00 H new ATOM 0 HE2 PHE A 18 23.381 0.816 -12.306 1.00 0.00 H new ATOM 0 HZ PHE A 18 22.609 1.950 -14.374 1.00 0.00 H new ATOM 314 N ASN A 19 18.020 -1.029 -8.735 1.00 0.00 N ATOM 315 CA ASN A 19 17.444 -1.631 -7.501 1.00 0.00 C ATOM 316 C ASN A 19 17.803 -0.759 -6.296 1.00 0.00 C ATOM 317 O ASN A 19 18.784 -0.993 -5.619 1.00 0.00 O ATOM 318 CB ASN A 19 18.020 -3.034 -7.302 1.00 0.00 C ATOM 319 CG ASN A 19 17.374 -3.998 -8.298 1.00 0.00 C ATOM 320 OD1 ASN A 19 16.605 -3.589 -9.146 1.00 0.00 O ATOM 321 ND2 ASN A 19 17.653 -5.271 -8.229 1.00 0.00 N ATOM 0 H ASN A 19 18.859 -1.487 -9.091 1.00 0.00 H new ATOM 0 HA ASN A 19 16.360 -1.693 -7.597 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.101 -3.018 -7.444 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.837 -3.372 -6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 19 17.226 -5.923 -8.887 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.298 -5.614 -7.517 1.00 0.00 H new ATOM 328 N THR A 20 17.017 0.246 -6.022 1.00 0.00 N ATOM 329 CA THR A 20 17.318 1.130 -4.861 1.00 0.00 C ATOM 330 C THR A 20 16.072 1.264 -3.983 1.00 0.00 C ATOM 331 O THR A 20 14.997 0.827 -4.341 1.00 0.00 O ATOM 332 CB THR A 20 17.734 2.514 -5.367 1.00 0.00 C ATOM 333 OG1 THR A 20 16.896 2.890 -6.452 1.00 0.00 O ATOM 334 CG2 THR A 20 19.190 2.473 -5.834 1.00 0.00 C ATOM 0 H THR A 20 16.181 0.493 -6.551 1.00 0.00 H new ATOM 0 HA THR A 20 18.130 0.696 -4.277 1.00 0.00 H new ATOM 0 HB THR A 20 17.635 3.241 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 20 17.318 2.628 -7.297 1.00 0.00 H new ATOM 0 HG21 THR A 20 19.485 3.459 -6.194 1.00 0.00 H new ATOM 0 HG22 THR A 20 19.831 2.184 -5.001 1.00 0.00 H new ATOM 0 HG23 THR A 20 19.293 1.747 -6.640 1.00 0.00 H new ATOM 342 N TRP A 21 16.210 1.867 -2.833 1.00 0.00 N ATOM 343 CA TRP A 21 15.035 2.031 -1.931 1.00 0.00 C ATOM 344 C TRP A 21 14.984 3.473 -1.427 1.00 0.00 C ATOM 345 O TRP A 21 15.712 3.854 -0.532 1.00 0.00 O ATOM 346 CB TRP A 21 15.167 1.082 -0.740 1.00 0.00 C ATOM 347 CG TRP A 21 14.666 -0.271 -1.128 1.00 0.00 C ATOM 348 CD1 TRP A 21 15.352 -1.167 -1.872 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.389 -0.894 -0.807 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.580 -2.302 -2.028 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.361 -2.183 -1.391 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.265 -0.470 -0.074 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.254 -3.022 -1.252 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.149 -1.312 0.068 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.144 -2.586 -0.521 1.00 0.00 C ATOM 0 H TRP A 21 17.086 2.253 -2.480 1.00 0.00 H new ATOM 0 HA TRP A 21 14.121 1.800 -2.478 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.208 1.020 -0.424 1.00 0.00 H new ATOM 0 HB3 TRP A 21 14.598 1.463 0.108 1.00 0.00 H new ATOM 0 HD1 TRP A 21 16.342 -1.020 -2.278 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.875 -3.127 -2.550 1.00 0.00 H new ATOM 0 HE3 TRP A 21 12.260 0.509 0.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.255 -4.002 -1.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.291 -0.977 0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.284 -3.229 -0.410 1.00 0.00 H new ATOM 366 N LYS A 22 14.131 4.278 -1.994 1.00 0.00 N ATOM 367 CA LYS A 22 14.039 5.694 -1.545 1.00 0.00 C ATOM 368 C LYS A 22 12.738 5.895 -0.755 1.00 0.00 C ATOM 369 O LYS A 22 11.688 5.451 -1.179 1.00 0.00 O ATOM 370 CB LYS A 22 14.036 6.615 -2.767 1.00 0.00 C ATOM 371 CG LYS A 22 14.950 6.034 -3.847 1.00 0.00 C ATOM 372 CD LYS A 22 15.518 7.171 -4.700 1.00 0.00 C ATOM 373 CE LYS A 22 15.883 6.635 -6.085 1.00 0.00 C ATOM 374 NZ LYS A 22 17.352 6.769 -6.298 1.00 0.00 N ATOM 0 H LYS A 22 13.495 4.018 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 22 14.893 5.931 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.022 6.722 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.376 7.611 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.761 5.470 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.393 5.338 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.786 7.973 -4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.399 7.596 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.586 5.590 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.341 7.186 -6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.601 6.405 -7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.622 7.771 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.859 6.225 -5.571 1.00 0.00 H new ATOM 388 N PRO A 23 12.841 6.561 0.372 1.00 0.00 N ATOM 389 CA PRO A 23 11.682 6.827 1.210 1.00 0.00 C ATOM 390 C PRO A 23 10.593 7.519 0.384 1.00 0.00 C ATOM 391 O PRO A 23 10.877 8.273 -0.526 1.00 0.00 O ATOM 392 CB PRO A 23 12.197 7.758 2.301 1.00 0.00 C ATOM 393 CG PRO A 23 13.729 7.472 2.338 1.00 0.00 C ATOM 394 CD PRO A 23 14.117 7.082 0.884 1.00 0.00 C ATOM 0 HA PRO A 23 11.244 5.918 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.990 8.802 2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.727 7.548 3.262 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.284 8.350 2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.961 6.667 3.035 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.471 7.938 0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.907 6.332 0.857 1.00 0.00 H new ATOM 402 N MET A 24 9.350 7.275 0.694 1.00 0.00 N ATOM 403 CA MET A 24 8.252 7.926 -0.074 1.00 0.00 C ATOM 404 C MET A 24 7.003 8.030 0.800 1.00 0.00 C ATOM 405 O MET A 24 6.870 7.353 1.801 1.00 0.00 O ATOM 406 CB MET A 24 7.931 7.105 -1.327 1.00 0.00 C ATOM 407 CG MET A 24 7.137 5.857 -0.943 1.00 0.00 C ATOM 408 SD MET A 24 7.059 4.730 -2.359 1.00 0.00 S ATOM 409 CE MET A 24 5.838 5.655 -3.322 1.00 0.00 C ATOM 0 H MET A 24 9.047 6.654 1.445 1.00 0.00 H new ATOM 0 HA MET A 24 8.572 8.925 -0.372 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.358 7.709 -2.031 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.854 6.818 -1.831 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.608 5.360 -0.095 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.131 6.135 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.584 5.094 -4.222 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.940 5.806 -2.722 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.254 6.623 -3.603 1.00 0.00 H new ATOM 419 N TRP A 25 6.084 8.870 0.420 1.00 0.00 N ATOM 420 CA TRP A 25 4.837 9.021 1.212 1.00 0.00 C ATOM 421 C TRP A 25 3.765 8.126 0.621 1.00 0.00 C ATOM 422 O TRP A 25 3.739 7.873 -0.567 1.00 0.00 O ATOM 423 CB TRP A 25 4.382 10.473 1.157 1.00 0.00 C ATOM 424 CG TRP A 25 3.146 10.655 1.976 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.884 10.673 1.487 1.00 0.00 C ATOM 426 CD2 TRP A 25 3.031 10.848 3.415 1.00 0.00 C ATOM 427 NE1 TRP A 25 1.007 10.898 2.535 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.663 11.001 3.741 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.973 10.911 4.457 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.244 11.214 5.055 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.556 11.119 5.783 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.192 11.272 6.081 1.00 0.00 C ATOM 0 H TRP A 25 6.144 9.461 -0.409 1.00 0.00 H new ATOM 0 HA TRP A 25 5.017 8.738 2.249 1.00 0.00 H new ATOM 0 HB2 TRP A 25 5.173 11.124 1.529 1.00 0.00 H new ATOM 0 HB3 TRP A 25 4.189 10.763 0.124 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.607 10.535 0.452 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.004 10.978 2.426 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.024 10.799 4.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.194 11.333 5.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.288 11.161 6.576 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.876 11.434 7.101 1.00 0.00 H new ATOM 443 N VAL A 26 2.893 7.622 1.437 1.00 0.00 N ATOM 444 CA VAL A 26 1.847 6.721 0.902 1.00 0.00 C ATOM 445 C VAL A 26 0.582 6.797 1.763 1.00 0.00 C ATOM 446 O VAL A 26 0.640 6.839 2.977 1.00 0.00 O ATOM 447 CB VAL A 26 2.420 5.300 0.873 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.331 5.088 2.083 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.288 4.266 0.888 1.00 0.00 C ATOM 0 H VAL A 26 2.858 7.792 2.442 1.00 0.00 H new ATOM 0 HA VAL A 26 1.563 7.021 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 26 2.997 5.172 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.737 4.077 2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.149 5.808 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.757 5.228 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.712 3.262 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.694 4.390 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.652 4.410 0.014 1.00 0.00 H new ATOM 459 N VAL A 27 -0.563 6.813 1.133 1.00 0.00 N ATOM 460 CA VAL A 27 -1.844 6.883 1.892 1.00 0.00 C ATOM 461 C VAL A 27 -2.786 5.782 1.402 1.00 0.00 C ATOM 462 O VAL A 27 -3.505 5.951 0.436 1.00 0.00 O ATOM 463 CB VAL A 27 -2.506 8.246 1.662 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.734 9.330 2.416 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.493 8.576 0.170 1.00 0.00 C ATOM 0 H VAL A 27 -0.665 6.780 0.119 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.640 6.750 2.954 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.533 8.208 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.208 10.297 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.736 9.103 3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.706 9.363 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.964 9.545 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.463 8.609 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.042 7.810 -0.377 1.00 0.00 H new ATOM 475 N LEU A 28 -2.798 4.653 2.054 1.00 0.00 N ATOM 476 CA LEU A 28 -3.707 3.563 1.610 1.00 0.00 C ATOM 477 C LEU A 28 -5.153 3.986 1.874 1.00 0.00 C ATOM 478 O LEU A 28 -5.538 4.255 2.996 1.00 0.00 O ATOM 479 CB LEU A 28 -3.393 2.279 2.376 1.00 0.00 C ATOM 480 CG LEU A 28 -3.466 2.544 3.879 1.00 0.00 C ATOM 481 CD1 LEU A 28 -4.603 1.722 4.489 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.139 2.142 4.523 1.00 0.00 C ATOM 0 H LEU A 28 -2.222 4.440 2.869 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.566 3.378 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.101 1.497 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.400 1.918 2.109 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.654 3.603 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.654 1.912 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.547 2.006 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.419 0.662 4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.184 2.329 5.596 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.955 1.082 4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.330 2.728 4.086 1.00 0.00 H new ATOM 494 N LEU A 29 -5.950 4.055 0.844 1.00 0.00 N ATOM 495 CA LEU A 29 -7.369 4.470 1.022 1.00 0.00 C ATOM 496 C LEU A 29 -8.270 3.234 0.968 1.00 0.00 C ATOM 497 O LEU A 29 -7.861 2.172 0.543 1.00 0.00 O ATOM 498 CB LEU A 29 -7.761 5.446 -0.093 1.00 0.00 C ATOM 499 CG LEU A 29 -6.710 6.560 -0.201 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.665 6.182 -1.252 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.392 7.862 -0.623 1.00 0.00 C ATOM 0 H LEU A 29 -5.679 3.841 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.488 4.962 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.841 4.916 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.741 5.876 0.115 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.225 6.691 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.920 6.975 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.177 5.252 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.152 6.050 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.647 8.654 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.875 7.723 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.140 8.138 0.120 1.00 0.00 H new ATOM 513 N GLU A 30 -9.493 3.366 1.403 1.00 0.00 N ATOM 514 CA GLU A 30 -10.422 2.200 1.386 1.00 0.00 C ATOM 515 C GLU A 30 -10.827 1.881 -0.053 1.00 0.00 C ATOM 516 O GLU A 30 -11.359 0.826 -0.338 1.00 0.00 O ATOM 517 CB GLU A 30 -11.671 2.533 2.205 1.00 0.00 C ATOM 518 CG GLU A 30 -12.274 1.243 2.765 1.00 0.00 C ATOM 519 CD GLU A 30 -13.797 1.288 2.629 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.275 1.193 1.510 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.460 1.418 3.644 1.00 0.00 O ATOM 0 H GLU A 30 -9.890 4.231 1.770 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.921 1.334 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.415 3.210 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.402 3.047 1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.876 0.381 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.996 1.124 3.812 1.00 0.00 H new ATOM 528 N ASP A 31 -10.583 2.782 -0.965 1.00 0.00 N ATOM 529 CA ASP A 31 -10.961 2.521 -2.383 1.00 0.00 C ATOM 530 C ASP A 31 -9.699 2.301 -3.220 1.00 0.00 C ATOM 531 O ASP A 31 -9.761 2.154 -4.424 1.00 0.00 O ATOM 532 CB ASP A 31 -11.734 3.721 -2.935 1.00 0.00 C ATOM 533 CG ASP A 31 -10.798 4.926 -3.048 1.00 0.00 C ATOM 534 OD1 ASP A 31 -10.432 5.465 -2.017 1.00 0.00 O ATOM 535 OD2 ASP A 31 -10.463 5.288 -4.164 1.00 0.00 O ATOM 0 H ASP A 31 -10.140 3.684 -0.791 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.587 1.630 -2.431 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.152 3.479 -3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.572 3.959 -2.280 1.00 0.00 H new ATOM 540 N GLY A 32 -8.555 2.278 -2.593 1.00 0.00 N ATOM 541 CA GLY A 32 -7.292 2.068 -3.358 1.00 0.00 C ATOM 542 C GLY A 32 -6.146 2.792 -2.654 1.00 0.00 C ATOM 543 O GLY A 32 -6.345 3.794 -2.001 1.00 0.00 O ATOM 0 H GLY A 32 -8.440 2.395 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.072 1.003 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.403 2.443 -4.375 1.00 0.00 H new ATOM 547 N ILE A 33 -4.948 2.292 -2.776 1.00 0.00 N ATOM 548 CA ILE A 33 -3.795 2.955 -2.104 1.00 0.00 C ATOM 549 C ILE A 33 -3.135 3.950 -3.061 1.00 0.00 C ATOM 550 O ILE A 33 -2.671 3.592 -4.126 1.00 0.00 O ATOM 551 CB ILE A 33 -2.773 1.896 -1.686 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.481 0.789 -0.902 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.702 2.539 -0.804 1.00 0.00 C ATOM 554 CD1 ILE A 33 -3.687 -0.428 -1.805 1.00 0.00 C ATOM 0 H ILE A 33 -4.717 1.455 -3.311 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.152 3.489 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.305 1.472 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.889 0.511 -0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.442 1.148 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.974 1.784 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.198 3.329 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.169 2.963 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.191 -1.215 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.297 -0.145 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.720 -0.792 -2.152 1.00 0.00 H new ATOM 566 N GLU A 34 -3.082 5.196 -2.682 1.00 0.00 N ATOM 567 CA GLU A 34 -2.444 6.220 -3.555 1.00 0.00 C ATOM 568 C GLU A 34 -1.233 6.788 -2.824 1.00 0.00 C ATOM 569 O GLU A 34 -1.365 7.514 -1.863 1.00 0.00 O ATOM 570 CB GLU A 34 -3.440 7.344 -3.842 1.00 0.00 C ATOM 571 CG GLU A 34 -4.800 6.740 -4.188 1.00 0.00 C ATOM 572 CD GLU A 34 -5.903 7.757 -3.892 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.610 8.941 -3.907 1.00 0.00 O ATOM 574 OE2 GLU A 34 -7.024 7.335 -3.656 1.00 0.00 O ATOM 0 H GLU A 34 -3.455 5.551 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.137 5.769 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.530 7.996 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.083 7.960 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.826 6.456 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.964 5.832 -3.608 1.00 0.00 H new ATOM 581 N PHE A 35 -0.051 6.454 -3.253 1.00 0.00 N ATOM 582 CA PHE A 35 1.149 6.975 -2.545 1.00 0.00 C ATOM 583 C PHE A 35 1.988 7.853 -3.477 1.00 0.00 C ATOM 584 O PHE A 35 2.091 7.609 -4.662 1.00 0.00 O ATOM 585 CB PHE A 35 1.991 5.803 -2.032 1.00 0.00 C ATOM 586 CG PHE A 35 2.272 4.835 -3.154 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.193 5.176 -4.152 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.620 3.597 -3.194 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.464 4.277 -5.191 1.00 0.00 C ATOM 590 CE2 PHE A 35 1.889 2.697 -4.235 1.00 0.00 C ATOM 591 CZ PHE A 35 2.812 3.037 -5.233 1.00 0.00 C ATOM 0 H PHE A 35 0.136 5.850 -4.053 1.00 0.00 H new ATOM 0 HA PHE A 35 0.822 7.584 -1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.929 6.173 -1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.465 5.293 -1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.694 6.132 -4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.910 3.335 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.176 4.539 -5.960 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.385 1.742 -4.268 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.021 2.344 -6.034 1.00 0.00 H new ATOM 601 N TYR A 36 2.599 8.872 -2.930 1.00 0.00 N ATOM 602 CA TYR A 36 3.452 9.780 -3.750 1.00 0.00 C ATOM 603 C TYR A 36 4.766 10.006 -3.003 1.00 0.00 C ATOM 604 O TYR A 36 5.173 9.198 -2.192 1.00 0.00 O ATOM 605 CB TYR A 36 2.767 11.144 -3.960 1.00 0.00 C ATOM 606 CG TYR A 36 1.323 11.116 -3.504 1.00 0.00 C ATOM 607 CD1 TYR A 36 1.006 10.847 -2.164 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.299 11.375 -4.425 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.333 10.834 -1.752 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.038 11.361 -4.012 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.354 11.090 -2.677 1.00 0.00 C ATOM 612 OH TYR A 36 -2.673 11.077 -2.271 1.00 0.00 O ATOM 0 H TYR A 36 2.542 9.115 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 36 3.621 9.322 -4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.309 11.913 -3.409 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.811 11.416 -5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.793 10.650 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.542 11.586 -5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.578 10.627 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.825 11.559 -4.724 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.253 11.275 -3.036 1.00 0.00 H new ATOM 622 N LYS A 37 5.425 11.104 -3.250 1.00 0.00 N ATOM 623 CA LYS A 37 6.699 11.382 -2.530 1.00 0.00 C ATOM 624 C LYS A 37 6.378 12.195 -1.273 1.00 0.00 C ATOM 625 O LYS A 37 6.882 11.927 -0.200 1.00 0.00 O ATOM 626 CB LYS A 37 7.639 12.182 -3.435 1.00 0.00 C ATOM 627 CG LYS A 37 8.900 11.362 -3.716 1.00 0.00 C ATOM 628 CD LYS A 37 10.070 12.307 -3.999 1.00 0.00 C ATOM 629 CE LYS A 37 9.729 13.196 -5.196 1.00 0.00 C ATOM 630 NZ LYS A 37 10.864 14.123 -5.466 1.00 0.00 N ATOM 0 H LYS A 37 5.137 11.819 -3.918 1.00 0.00 H new ATOM 0 HA LYS A 37 7.186 10.446 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.137 12.429 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.905 13.125 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.131 10.726 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.736 10.703 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.275 12.922 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.974 11.733 -4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.531 12.581 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.821 13.765 -4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.632 14.728 -6.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.033 14.718 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.720 13.571 -5.677 1.00 0.00 H new ATOM 644 N LYS A 38 5.527 13.180 -1.398 1.00 0.00 N ATOM 645 CA LYS A 38 5.151 14.006 -0.216 1.00 0.00 C ATOM 646 C LYS A 38 3.773 13.557 0.280 1.00 0.00 C ATOM 647 O LYS A 38 3.243 12.562 -0.169 1.00 0.00 O ATOM 648 CB LYS A 38 5.093 15.481 -0.618 1.00 0.00 C ATOM 649 CG LYS A 38 6.492 15.957 -1.018 1.00 0.00 C ATOM 650 CD LYS A 38 6.705 15.717 -2.513 1.00 0.00 C ATOM 651 CE LYS A 38 7.234 16.996 -3.166 1.00 0.00 C ATOM 652 NZ LYS A 38 8.725 16.969 -3.177 1.00 0.00 N ATOM 0 H LYS A 38 5.075 13.448 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 38 5.891 13.880 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.400 15.615 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.717 16.080 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.606 17.017 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.248 15.423 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.411 14.900 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.767 15.418 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.854 17.081 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.880 17.870 -2.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.085 17.838 -3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.078 16.907 -2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.053 16.143 -3.717 1.00 0.00 H new ATOM 666 N LYS A 39 3.180 14.274 1.197 1.00 0.00 N ATOM 667 CA LYS A 39 1.850 13.865 1.697 1.00 0.00 C ATOM 668 C LYS A 39 0.825 13.941 0.564 1.00 0.00 C ATOM 669 O LYS A 39 -0.287 13.469 0.685 1.00 0.00 O ATOM 670 CB LYS A 39 1.449 14.777 2.847 1.00 0.00 C ATOM 671 CG LYS A 39 2.155 14.297 4.115 1.00 0.00 C ATOM 672 CD LYS A 39 1.408 14.799 5.346 1.00 0.00 C ATOM 673 CE LYS A 39 -0.058 14.402 5.225 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.527 13.813 6.511 1.00 0.00 N ATOM 0 H LYS A 39 3.563 15.121 1.616 1.00 0.00 H new ATOM 0 HA LYS A 39 1.888 12.836 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.725 15.808 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.368 14.759 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.201 13.208 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.183 14.660 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.841 14.372 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.500 15.882 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.661 15.274 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.184 13.682 4.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.567 13.825 6.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.190 12.832 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.152 14.370 7.305 1.00 0.00 H new ATOM 688 N SER A 40 1.200 14.519 -0.545 1.00 0.00 N ATOM 689 CA SER A 40 0.261 14.612 -1.697 1.00 0.00 C ATOM 690 C SER A 40 1.064 14.630 -2.997 1.00 0.00 C ATOM 691 O SER A 40 0.812 13.865 -3.907 1.00 0.00 O ATOM 692 CB SER A 40 -0.564 15.895 -1.595 1.00 0.00 C ATOM 693 OG SER A 40 -0.708 16.255 -0.227 1.00 0.00 O ATOM 0 H SER A 40 2.119 14.932 -0.702 1.00 0.00 H new ATOM 0 HA SER A 40 -0.410 13.753 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.076 16.699 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.544 15.748 -2.049 1.00 0.00 H new ATOM 0 HG SER A 40 -1.235 17.078 -0.159 1.00 0.00 H new ATOM 699 N ASP A 41 2.028 15.508 -3.095 1.00 0.00 N ATOM 700 CA ASP A 41 2.845 15.589 -4.336 1.00 0.00 C ATOM 701 C ASP A 41 1.936 15.907 -5.522 1.00 0.00 C ATOM 702 O ASP A 41 2.335 15.828 -6.667 1.00 0.00 O ATOM 703 CB ASP A 41 3.547 14.247 -4.544 1.00 0.00 C ATOM 704 CG ASP A 41 4.171 14.191 -5.939 1.00 0.00 C ATOM 705 OD1 ASP A 41 3.470 13.826 -6.867 1.00 0.00 O ATOM 706 OD2 ASP A 41 5.343 14.508 -6.055 1.00 0.00 O ATOM 0 H ASP A 41 2.283 16.173 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 41 3.592 16.378 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.318 14.110 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.833 13.432 -4.423 1.00 0.00 H new ATOM 711 N ASN A 42 0.711 16.273 -5.256 1.00 0.00 N ATOM 712 CA ASN A 42 -0.234 16.599 -6.354 1.00 0.00 C ATOM 713 C ASN A 42 -0.086 15.586 -7.496 1.00 0.00 C ATOM 714 O ASN A 42 -0.443 15.866 -8.624 1.00 0.00 O ATOM 715 CB ASN A 42 0.061 18.005 -6.879 1.00 0.00 C ATOM 716 CG ASN A 42 -1.166 18.896 -6.674 1.00 0.00 C ATOM 717 OD1 ASN A 42 -1.795 19.312 -7.626 1.00 0.00 O ATOM 718 ND2 ASN A 42 -1.536 19.207 -5.462 1.00 0.00 N ATOM 0 H ASN A 42 0.325 16.360 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.253 16.556 -5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.920 18.426 -6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.320 17.962 -7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.353 19.799 -5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.008 18.858 -4.662 1.00 0.00 H new ATOM 725 N SER A 43 0.435 14.414 -7.229 1.00 0.00 N ATOM 726 CA SER A 43 0.586 13.420 -8.330 1.00 0.00 C ATOM 727 C SER A 43 1.139 12.092 -7.792 1.00 0.00 C ATOM 728 O SER A 43 2.331 11.951 -7.606 1.00 0.00 O ATOM 729 CB SER A 43 1.552 13.979 -9.372 1.00 0.00 C ATOM 730 OG SER A 43 1.295 13.366 -10.628 1.00 0.00 O ATOM 0 H SER A 43 0.757 14.108 -6.311 1.00 0.00 H new ATOM 0 HA SER A 43 -0.392 13.236 -8.776 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.434 15.060 -9.451 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.582 13.792 -9.067 1.00 0.00 H new ATOM 0 HG SER A 43 1.913 13.724 -11.299 1.00 0.00 H new ATOM 736 N PRO A 44 0.256 11.148 -7.575 1.00 0.00 N ATOM 737 CA PRO A 44 0.639 9.831 -7.080 1.00 0.00 C ATOM 738 C PRO A 44 1.735 9.229 -7.954 1.00 0.00 C ATOM 739 O PRO A 44 1.671 9.259 -9.166 1.00 0.00 O ATOM 740 CB PRO A 44 -0.637 9.001 -7.174 1.00 0.00 C ATOM 741 CG PRO A 44 -1.773 10.069 -7.118 1.00 0.00 C ATOM 742 CD PRO A 44 -1.185 11.336 -7.800 1.00 0.00 C ATOM 0 HA PRO A 44 1.036 9.868 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.673 8.425 -8.098 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.714 8.290 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.665 9.721 -7.639 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.066 10.277 -6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.432 11.383 -8.861 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.555 12.255 -7.346 1.00 0.00 H new ATOM 750 N LYS A 45 2.736 8.671 -7.339 1.00 0.00 N ATOM 751 CA LYS A 45 3.840 8.049 -8.114 1.00 0.00 C ATOM 752 C LYS A 45 3.475 6.580 -8.366 1.00 0.00 C ATOM 753 O LYS A 45 4.010 5.934 -9.245 1.00 0.00 O ATOM 754 CB LYS A 45 5.146 8.177 -7.302 1.00 0.00 C ATOM 755 CG LYS A 45 5.953 6.876 -7.344 1.00 0.00 C ATOM 756 CD LYS A 45 7.438 7.187 -7.135 1.00 0.00 C ATOM 757 CE LYS A 45 8.074 6.093 -6.275 1.00 0.00 C ATOM 758 NZ LYS A 45 9.239 5.508 -6.999 1.00 0.00 N ATOM 0 H LYS A 45 2.837 8.619 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 45 3.986 8.544 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.747 8.994 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.911 8.429 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.602 6.193 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.807 6.376 -8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.946 7.249 -8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.552 8.157 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.396 6.507 -5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.342 5.316 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.672 4.764 -6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.918 5.099 -7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.940 6.253 -7.187 1.00 0.00 H new ATOM 772 N GLY A 46 2.557 6.058 -7.599 1.00 0.00 N ATOM 773 CA GLY A 46 2.139 4.641 -7.786 1.00 0.00 C ATOM 774 C GLY A 46 0.861 4.384 -6.984 1.00 0.00 C ATOM 775 O GLY A 46 0.798 4.641 -5.798 1.00 0.00 O ATOM 0 H GLY A 46 2.077 6.555 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.967 4.436 -8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.931 3.969 -7.456 1.00 0.00 H new ATOM 779 N MET A 47 -0.160 3.884 -7.624 1.00 0.00 N ATOM 780 CA MET A 47 -1.433 3.615 -6.899 1.00 0.00 C ATOM 781 C MET A 47 -1.797 2.138 -7.034 1.00 0.00 C ATOM 782 O MET A 47 -1.927 1.616 -8.124 1.00 0.00 O ATOM 783 CB MET A 47 -2.552 4.468 -7.497 1.00 0.00 C ATOM 784 CG MET A 47 -2.169 5.946 -7.407 1.00 0.00 C ATOM 785 SD MET A 47 -3.313 6.928 -8.408 1.00 0.00 S ATOM 786 CE MET A 47 -2.646 6.475 -10.028 1.00 0.00 C ATOM 0 H MET A 47 -0.168 3.650 -8.617 1.00 0.00 H new ATOM 0 HA MET A 47 -1.307 3.864 -5.845 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.722 4.188 -8.537 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.485 4.290 -6.963 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.200 6.278 -6.369 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.147 6.090 -7.757 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.336 7.375 -10.559 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.787 5.817 -9.897 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.413 5.959 -10.606 1.00 0.00 H new ATOM 796 N ILE A 48 -1.966 1.459 -5.935 1.00 0.00 N ATOM 797 CA ILE A 48 -2.327 0.016 -5.999 1.00 0.00 C ATOM 798 C ILE A 48 -3.855 -0.116 -6.024 1.00 0.00 C ATOM 799 O ILE A 48 -4.537 0.513 -5.239 1.00 0.00 O ATOM 800 CB ILE A 48 -1.773 -0.703 -4.767 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.244 -0.705 -4.824 1.00 0.00 C ATOM 802 CG2 ILE A 48 -2.284 -2.145 -4.744 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.318 -0.754 -3.402 1.00 0.00 C ATOM 0 H ILE A 48 -1.870 1.841 -4.994 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.903 -0.431 -6.898 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.103 -0.187 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.108 -1.564 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.113 0.188 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.889 -2.657 -3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.373 -2.144 -4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.954 -2.662 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.407 -0.756 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.024 0.119 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.028 -1.660 -2.905 1.00 0.00 H new ATOM 815 N PRO A 49 -4.354 -0.926 -6.927 1.00 0.00 N ATOM 816 CA PRO A 49 -5.787 -1.136 -7.056 1.00 0.00 C ATOM 817 C PRO A 49 -6.306 -1.966 -5.882 1.00 0.00 C ATOM 818 O PRO A 49 -5.773 -3.010 -5.561 1.00 0.00 O ATOM 819 CB PRO A 49 -5.947 -1.895 -8.368 1.00 0.00 C ATOM 820 CG PRO A 49 -4.573 -2.615 -8.543 1.00 0.00 C ATOM 821 CD PRO A 49 -3.521 -1.683 -7.874 1.00 0.00 C ATOM 0 HA PRO A 49 -6.350 -0.203 -7.052 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.770 -2.608 -8.321 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.155 -1.221 -9.199 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.583 -3.597 -8.070 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.344 -2.771 -9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.737 -2.247 -7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.030 -1.033 -8.598 1.00 0.00 H new ATOM 829 N LEU A 50 -7.346 -1.513 -5.236 1.00 0.00 N ATOM 830 CA LEU A 50 -7.900 -2.276 -4.084 1.00 0.00 C ATOM 831 C LEU A 50 -8.863 -3.350 -4.596 1.00 0.00 C ATOM 832 O LEU A 50 -9.928 -3.554 -4.048 1.00 0.00 O ATOM 833 CB LEU A 50 -8.651 -1.316 -3.158 1.00 0.00 C ATOM 834 CG LEU A 50 -8.186 -1.527 -1.717 1.00 0.00 C ATOM 835 CD1 LEU A 50 -7.251 -0.388 -1.310 1.00 0.00 C ATOM 836 CD2 LEU A 50 -9.403 -1.542 -0.790 1.00 0.00 C ATOM 0 H LEU A 50 -7.836 -0.646 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.087 -2.752 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.470 -0.285 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.725 -1.487 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.656 -2.476 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.920 -0.539 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.385 -0.374 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.781 0.562 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.075 -1.692 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.931 -0.592 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.071 -2.353 -1.080 1.00 0.00 H new ATOM 848 N LYS A 51 -8.499 -4.037 -5.645 1.00 0.00 N ATOM 849 CA LYS A 51 -9.397 -5.095 -6.192 1.00 0.00 C ATOM 850 C LYS A 51 -8.987 -6.460 -5.632 1.00 0.00 C ATOM 851 O LYS A 51 -9.677 -7.039 -4.817 1.00 0.00 O ATOM 852 CB LYS A 51 -9.288 -5.116 -7.717 1.00 0.00 C ATOM 853 CG LYS A 51 -9.618 -3.728 -8.270 1.00 0.00 C ATOM 854 CD LYS A 51 -11.106 -3.658 -8.619 1.00 0.00 C ATOM 855 CE LYS A 51 -11.313 -2.673 -9.771 1.00 0.00 C ATOM 856 NZ LYS A 51 -12.097 -1.501 -9.288 1.00 0.00 N ATOM 0 H LYS A 51 -7.620 -3.912 -6.147 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.426 -4.881 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.282 -5.409 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.972 -5.857 -8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.370 -2.963 -7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.016 -3.525 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.471 -4.646 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.680 -3.342 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.349 -2.344 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.838 -3.162 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.238 -0.831 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.022 -1.823 -8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.579 -1.030 -8.519 1.00 0.00 H new ATOM 870 N GLY A 52 -7.871 -6.982 -6.065 1.00 0.00 N ATOM 871 CA GLY A 52 -7.427 -8.312 -5.557 1.00 0.00 C ATOM 872 C GLY A 52 -5.900 -8.347 -5.462 1.00 0.00 C ATOM 873 O GLY A 52 -5.247 -9.140 -6.112 1.00 0.00 O ATOM 0 H GLY A 52 -7.249 -6.547 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.866 -8.502 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.777 -9.101 -6.222 1.00 0.00 H new ATOM 877 N SER A 53 -5.325 -7.499 -4.655 1.00 0.00 N ATOM 878 CA SER A 53 -3.840 -7.488 -4.516 1.00 0.00 C ATOM 879 C SER A 53 -3.422 -8.525 -3.475 1.00 0.00 C ATOM 880 O SER A 53 -4.242 -9.106 -2.794 1.00 0.00 O ATOM 881 CB SER A 53 -3.376 -6.101 -4.069 1.00 0.00 C ATOM 882 OG SER A 53 -4.116 -5.110 -4.770 1.00 0.00 O ATOM 0 H SER A 53 -5.819 -6.812 -4.085 1.00 0.00 H new ATOM 0 HA SER A 53 -3.384 -7.729 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.519 -5.986 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.310 -5.981 -4.264 1.00 0.00 H new ATOM 0 HG SER A 53 -3.940 -4.230 -4.375 1.00 0.00 H new ATOM 888 N THR A 54 -2.148 -8.766 -3.356 1.00 0.00 N ATOM 889 CA THR A 54 -1.668 -9.769 -2.370 1.00 0.00 C ATOM 890 C THR A 54 -0.680 -9.104 -1.405 1.00 0.00 C ATOM 891 O THR A 54 -0.281 -7.975 -1.596 1.00 0.00 O ATOM 892 CB THR A 54 -0.998 -10.927 -3.131 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.291 -12.153 -2.478 1.00 0.00 O ATOM 894 CG2 THR A 54 0.519 -10.735 -3.195 1.00 0.00 C ATOM 0 H THR A 54 -1.417 -8.310 -3.901 1.00 0.00 H new ATOM 0 HA THR A 54 -2.502 -10.162 -1.788 1.00 0.00 H new ATOM 0 HB THR A 54 -1.388 -10.943 -4.149 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.866 -12.891 -2.963 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.968 -11.567 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.746 -9.801 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.924 -10.700 -2.184 1.00 0.00 H new ATOM 902 N LEU A 55 -0.280 -9.798 -0.377 1.00 0.00 N ATOM 903 CA LEU A 55 0.686 -9.210 0.596 1.00 0.00 C ATOM 904 C LEU A 55 1.779 -10.244 0.891 1.00 0.00 C ATOM 905 O LEU A 55 1.501 -11.411 1.075 1.00 0.00 O ATOM 906 CB LEU A 55 -0.055 -8.853 1.890 1.00 0.00 C ATOM 907 CG LEU A 55 0.832 -7.992 2.798 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.889 -8.868 3.470 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.521 -6.906 1.971 1.00 0.00 C ATOM 0 H LEU A 55 -0.580 -10.750 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 55 1.137 -8.308 0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.973 -8.316 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.345 -9.764 2.413 1.00 0.00 H new ATOM 0 HG LEU A 55 0.211 -7.525 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.517 -8.252 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.398 -9.636 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.507 -9.342 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.150 -6.298 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.137 -7.371 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.768 -6.274 1.500 1.00 0.00 H new ATOM 921 N THR A 56 3.019 -9.832 0.927 1.00 0.00 N ATOM 922 CA THR A 56 4.114 -10.809 1.198 1.00 0.00 C ATOM 923 C THR A 56 4.974 -10.325 2.370 1.00 0.00 C ATOM 924 O THR A 56 5.399 -9.190 2.415 1.00 0.00 O ATOM 925 CB THR A 56 4.986 -10.953 -0.053 1.00 0.00 C ATOM 926 OG1 THR A 56 4.162 -11.270 -1.166 1.00 0.00 O ATOM 927 CG2 THR A 56 6.010 -12.069 0.161 1.00 0.00 C ATOM 0 H THR A 56 3.319 -8.868 0.782 1.00 0.00 H new ATOM 0 HA THR A 56 3.677 -11.774 1.455 1.00 0.00 H new ATOM 0 HB THR A 56 5.510 -10.016 -0.242 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.711 -10.459 -1.480 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.630 -12.170 -0.730 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.641 -11.825 1.016 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.490 -13.008 0.350 1.00 0.00 H new ATOM 935 N SER A 57 5.239 -11.183 3.319 1.00 0.00 N ATOM 936 CA SER A 57 6.076 -10.773 4.482 1.00 0.00 C ATOM 937 C SER A 57 6.838 -11.992 5.018 1.00 0.00 C ATOM 938 O SER A 57 6.237 -12.966 5.428 1.00 0.00 O ATOM 939 CB SER A 57 5.178 -10.208 5.583 1.00 0.00 C ATOM 940 OG SER A 57 4.571 -11.281 6.291 1.00 0.00 O ATOM 0 H SER A 57 4.912 -12.149 3.338 1.00 0.00 H new ATOM 0 HA SER A 57 6.787 -10.010 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.764 -9.592 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.413 -9.564 5.149 1.00 0.00 H new ATOM 0 HG SER A 57 5.200 -12.030 6.353 1.00 0.00 H new ATOM 946 N PRO A 58 8.145 -11.901 4.999 1.00 0.00 N ATOM 947 CA PRO A 58 8.841 -10.723 4.503 1.00 0.00 C ATOM 948 C PRO A 58 8.722 -10.642 2.979 1.00 0.00 C ATOM 949 O PRO A 58 7.866 -11.261 2.380 1.00 0.00 O ATOM 950 CB PRO A 58 10.281 -10.924 4.917 1.00 0.00 C ATOM 951 CG PRO A 58 10.416 -12.474 5.041 1.00 0.00 C ATOM 952 CD PRO A 58 9.013 -12.985 5.478 1.00 0.00 C ATOM 0 HA PRO A 58 8.428 -9.796 4.900 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.971 -10.520 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.500 -10.426 5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.716 -12.918 4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.177 -12.743 5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.764 -13.942 5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.943 -13.120 6.557 1.00 0.00 H new ATOM 960 N CYS A 59 9.574 -9.882 2.348 1.00 0.00 N ATOM 961 CA CYS A 59 9.506 -9.762 0.865 1.00 0.00 C ATOM 962 C CYS A 59 10.917 -9.581 0.300 1.00 0.00 C ATOM 963 O CYS A 59 11.676 -8.748 0.753 1.00 0.00 O ATOM 964 CB CYS A 59 8.647 -8.552 0.494 1.00 0.00 C ATOM 965 SG CYS A 59 9.563 -7.484 -0.644 1.00 0.00 S ATOM 0 H CYS A 59 10.313 -9.340 2.795 1.00 0.00 H new ATOM 0 HA CYS A 59 9.063 -10.666 0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.717 -8.882 0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.376 -7.996 1.392 1.00 0.00 H new ATOM 0 HG CYS A 59 10.771 -7.308 -0.197 1.00 0.00 H new ATOM 971 N GLN A 60 11.272 -10.357 -0.688 1.00 0.00 N ATOM 972 CA GLN A 60 12.631 -10.231 -1.285 1.00 0.00 C ATOM 973 C GLN A 60 13.688 -10.423 -0.197 1.00 0.00 C ATOM 974 O GLN A 60 13.402 -10.349 0.982 1.00 0.00 O ATOM 975 CB GLN A 60 12.789 -8.842 -1.909 1.00 0.00 C ATOM 976 CG GLN A 60 12.782 -8.966 -3.435 1.00 0.00 C ATOM 977 CD GLN A 60 14.217 -8.903 -3.959 1.00 0.00 C ATOM 978 OE1 GLN A 60 14.661 -7.872 -4.425 1.00 0.00 O ATOM 979 NE2 GLN A 60 14.966 -9.969 -3.903 1.00 0.00 N ATOM 0 H GLN A 60 10.679 -11.073 -1.107 1.00 0.00 H new ATOM 0 HA GLN A 60 12.760 -10.992 -2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.979 -8.190 -1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.720 -8.385 -1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.316 -9.906 -3.732 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.188 -8.164 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.593 -10.834 -3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.925 -9.938 -4.250 1.00 0.00 H new ATOM 988 N ASP A 61 14.911 -10.669 -0.583 1.00 0.00 N ATOM 989 CA ASP A 61 15.986 -10.866 0.428 1.00 0.00 C ATOM 990 C ASP A 61 16.848 -9.604 0.507 1.00 0.00 C ATOM 991 O ASP A 61 17.649 -9.443 1.406 1.00 0.00 O ATOM 992 CB ASP A 61 16.858 -12.056 0.019 1.00 0.00 C ATOM 993 CG ASP A 61 16.001 -13.321 -0.038 1.00 0.00 C ATOM 994 OD1 ASP A 61 15.573 -13.772 1.011 1.00 0.00 O ATOM 995 OD2 ASP A 61 15.786 -13.817 -1.132 1.00 0.00 O ATOM 0 H ASP A 61 15.211 -10.742 -1.555 1.00 0.00 H new ATOM 0 HA ASP A 61 15.539 -11.062 1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.314 -11.869 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.671 -12.187 0.733 1.00 0.00 H new ATOM 1000 N PHE A 62 16.690 -8.708 -0.428 1.00 0.00 N ATOM 1001 CA PHE A 62 17.502 -7.458 -0.404 1.00 0.00 C ATOM 1002 C PHE A 62 16.777 -6.384 0.413 1.00 0.00 C ATOM 1003 O PHE A 62 17.218 -5.254 0.503 1.00 0.00 O ATOM 1004 CB PHE A 62 17.730 -6.961 -1.838 1.00 0.00 C ATOM 1005 CG PHE A 62 16.476 -6.316 -2.399 1.00 0.00 C ATOM 1006 CD1 PHE A 62 15.213 -6.612 -1.862 1.00 0.00 C ATOM 1007 CD2 PHE A 62 16.585 -5.421 -3.471 1.00 0.00 C ATOM 1008 CE1 PHE A 62 14.065 -6.014 -2.398 1.00 0.00 C ATOM 1009 CE2 PHE A 62 15.436 -4.821 -4.006 1.00 0.00 C ATOM 1010 CZ PHE A 62 14.177 -5.119 -3.469 1.00 0.00 C ATOM 0 H PHE A 62 16.035 -8.787 -1.206 1.00 0.00 H new ATOM 0 HA PHE A 62 18.467 -7.665 0.059 1.00 0.00 H new ATOM 0 HB2 PHE A 62 18.549 -6.242 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 62 18.028 -7.796 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.126 -7.301 -1.035 1.00 0.00 H new ATOM 0 HD2 PHE A 62 17.556 -5.193 -3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.094 -6.243 -1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.522 -4.130 -4.831 1.00 0.00 H new ATOM 0 HZ PHE A 62 13.292 -4.658 -3.882 1.00 0.00 H new ATOM 1020 N GLY A 63 15.670 -6.728 1.012 1.00 0.00 N ATOM 1021 CA GLY A 63 14.919 -5.731 1.825 1.00 0.00 C ATOM 1022 C GLY A 63 14.802 -6.233 3.266 1.00 0.00 C ATOM 1023 O GLY A 63 14.554 -5.473 4.180 1.00 0.00 O ATOM 0 H GLY A 63 15.253 -7.658 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.431 -4.769 1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.927 -5.574 1.402 1.00 0.00 H new ATOM 1027 N LYS A 64 14.979 -7.511 3.476 1.00 0.00 N ATOM 1028 CA LYS A 64 14.877 -8.059 4.857 1.00 0.00 C ATOM 1029 C LYS A 64 15.734 -7.218 5.803 1.00 0.00 C ATOM 1030 O LYS A 64 16.913 -7.460 5.971 1.00 0.00 O ATOM 1031 CB LYS A 64 15.375 -9.507 4.871 1.00 0.00 C ATOM 1032 CG LYS A 64 15.131 -10.118 6.252 1.00 0.00 C ATOM 1033 CD LYS A 64 14.628 -11.553 6.093 1.00 0.00 C ATOM 1034 CE LYS A 64 15.613 -12.348 5.234 1.00 0.00 C ATOM 1035 NZ LYS A 64 15.386 -13.807 5.439 1.00 0.00 N ATOM 0 H LYS A 64 15.189 -8.197 2.751 1.00 0.00 H new ATOM 0 HA LYS A 64 13.837 -8.029 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.857 -10.088 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.438 -9.540 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.052 -10.107 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.400 -9.524 6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.521 -12.022 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.642 -11.554 5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.483 -12.093 4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.637 -12.087 5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.055 -14.348 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.531 -14.043 6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.413 -14.049 5.164 1.00 0.00 H new ATOM 1049 N ARG A 65 15.153 -6.227 6.419 1.00 0.00 N ATOM 1050 CA ARG A 65 15.933 -5.367 7.350 1.00 0.00 C ATOM 1051 C ARG A 65 15.052 -4.951 8.522 1.00 0.00 C ATOM 1052 O ARG A 65 15.155 -5.474 9.613 1.00 0.00 O ATOM 1053 CB ARG A 65 16.419 -4.122 6.606 1.00 0.00 C ATOM 1054 CG ARG A 65 17.927 -3.962 6.811 1.00 0.00 C ATOM 1055 CD ARG A 65 18.450 -2.844 5.908 1.00 0.00 C ATOM 1056 NE ARG A 65 19.483 -3.394 4.987 1.00 0.00 N ATOM 1057 CZ ARG A 65 20.747 -3.322 5.305 1.00 0.00 C ATOM 1058 NH1 ARG A 65 21.175 -3.876 6.406 1.00 0.00 N ATOM 1059 NH2 ARG A 65 21.582 -2.694 4.523 1.00 0.00 N ATOM 0 H ARG A 65 14.170 -5.975 6.317 1.00 0.00 H new ATOM 0 HA ARG A 65 16.791 -5.924 7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.193 -4.209 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.896 -3.239 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.140 -3.730 7.855 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.437 -4.898 6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.630 -2.411 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.875 -2.043 6.512 1.00 0.00 H new ATOM 0 HE ARG A 65 19.203 -3.827 4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.522 -4.365 7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.163 -3.820 6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.247 -2.259 3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.570 -2.638 4.772 1.00 0.00 H new ATOM 1073 N MET A 66 14.192 -4.011 8.297 1.00 0.00 N ATOM 1074 CA MET A 66 13.292 -3.540 9.386 1.00 0.00 C ATOM 1075 C MET A 66 11.920 -4.185 9.229 1.00 0.00 C ATOM 1076 O MET A 66 11.289 -4.578 10.191 1.00 0.00 O ATOM 1077 CB MET A 66 13.158 -2.019 9.311 1.00 0.00 C ATOM 1078 CG MET A 66 14.236 -1.367 10.178 1.00 0.00 C ATOM 1079 SD MET A 66 13.483 -0.092 11.220 1.00 0.00 S ATOM 1080 CE MET A 66 14.658 1.232 10.846 1.00 0.00 C ATOM 0 H MET A 66 14.068 -3.541 7.400 1.00 0.00 H new ATOM 0 HA MET A 66 13.712 -3.820 10.352 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.257 -1.685 8.278 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.169 -1.713 9.652 1.00 0.00 H new ATOM 0 HG2 MET A 66 14.722 -2.119 10.799 1.00 0.00 H new ATOM 0 HG3 MET A 66 15.008 -0.927 9.547 1.00 0.00 H new ATOM 0 HE1 MET A 66 14.379 2.132 11.394 1.00 0.00 H new ATOM 0 HE2 MET A 66 15.660 0.923 11.142 1.00 0.00 H new ATOM 0 HE3 MET A 66 14.644 1.440 9.776 1.00 0.00 H new ATOM 1090 N PHE A 67 11.465 -4.295 8.019 1.00 0.00 N ATOM 1091 CA PHE A 67 10.132 -4.913 7.755 1.00 0.00 C ATOM 1092 C PHE A 67 9.624 -4.447 6.390 1.00 0.00 C ATOM 1093 O PHE A 67 8.975 -3.426 6.273 1.00 0.00 O ATOM 1094 CB PHE A 67 9.139 -4.485 8.838 1.00 0.00 C ATOM 1095 CG PHE A 67 8.886 -5.642 9.773 1.00 0.00 C ATOM 1096 CD1 PHE A 67 8.489 -6.885 9.261 1.00 0.00 C ATOM 1097 CD2 PHE A 67 9.050 -5.475 11.155 1.00 0.00 C ATOM 1098 CE1 PHE A 67 8.255 -7.959 10.131 1.00 0.00 C ATOM 1099 CE2 PHE A 67 8.817 -6.548 12.024 1.00 0.00 C ATOM 1100 CZ PHE A 67 8.418 -7.791 11.512 1.00 0.00 C ATOM 0 H PHE A 67 11.963 -3.980 7.186 1.00 0.00 H new ATOM 0 HA PHE A 67 10.228 -5.999 7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.534 -3.634 9.393 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.204 -4.161 8.382 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.363 -7.015 8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.356 -4.518 11.550 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.949 -8.917 9.736 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.945 -6.418 13.089 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.236 -8.618 12.182 1.00 0.00 H new ATOM 1110 N VAL A 68 9.921 -5.182 5.354 1.00 0.00 N ATOM 1111 CA VAL A 68 9.464 -4.779 3.995 1.00 0.00 C ATOM 1112 C VAL A 68 8.563 -5.874 3.414 1.00 0.00 C ATOM 1113 O VAL A 68 8.925 -7.034 3.377 1.00 0.00 O ATOM 1114 CB VAL A 68 10.697 -4.574 3.102 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.762 -5.612 3.459 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.317 -4.725 1.624 1.00 0.00 C ATOM 0 H VAL A 68 10.462 -6.046 5.391 1.00 0.00 H new ATOM 0 HA VAL A 68 8.895 -3.851 4.047 1.00 0.00 H new ATOM 0 HB VAL A 68 11.088 -3.570 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.637 -5.468 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.047 -5.496 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.361 -6.613 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.201 -4.577 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.916 -5.724 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.563 -3.982 1.364 1.00 0.00 H new ATOM 1126 N PHE A 69 7.391 -5.518 2.955 1.00 0.00 N ATOM 1127 CA PHE A 69 6.479 -6.545 2.376 1.00 0.00 C ATOM 1128 C PHE A 69 6.389 -6.358 0.860 1.00 0.00 C ATOM 1129 O PHE A 69 6.760 -5.331 0.325 1.00 0.00 O ATOM 1130 CB PHE A 69 5.081 -6.426 3.010 1.00 0.00 C ATOM 1131 CG PHE A 69 4.317 -5.252 2.429 1.00 0.00 C ATOM 1132 CD1 PHE A 69 3.874 -5.280 1.098 1.00 0.00 C ATOM 1133 CD2 PHE A 69 4.034 -4.138 3.233 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.159 -4.198 0.572 1.00 0.00 C ATOM 1135 CE2 PHE A 69 3.312 -3.058 2.704 1.00 0.00 C ATOM 1136 CZ PHE A 69 2.878 -3.087 1.375 1.00 0.00 C ATOM 0 H PHE A 69 7.029 -4.565 2.957 1.00 0.00 H new ATOM 0 HA PHE A 69 6.876 -7.538 2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.522 -7.347 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.177 -6.304 4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.085 -6.139 0.478 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.372 -4.112 4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.824 -4.221 -0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.091 -2.202 3.324 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.326 -2.252 0.969 1.00 0.00 H new ATOM 1146 N LYS A 70 5.890 -7.346 0.168 1.00 0.00 N ATOM 1147 CA LYS A 70 5.761 -7.241 -1.311 1.00 0.00 C ATOM 1148 C LYS A 70 4.317 -7.559 -1.709 1.00 0.00 C ATOM 1149 O LYS A 70 3.879 -8.690 -1.638 1.00 0.00 O ATOM 1150 CB LYS A 70 6.712 -8.238 -1.975 1.00 0.00 C ATOM 1151 CG LYS A 70 6.365 -8.376 -3.457 1.00 0.00 C ATOM 1152 CD LYS A 70 5.737 -9.748 -3.711 1.00 0.00 C ATOM 1153 CE LYS A 70 6.720 -10.843 -3.297 1.00 0.00 C ATOM 1154 NZ LYS A 70 7.189 -11.578 -4.507 1.00 0.00 N ATOM 0 H LYS A 70 5.565 -8.226 0.568 1.00 0.00 H new ATOM 0 HA LYS A 70 6.015 -6.232 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.743 -7.901 -1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.638 -9.208 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.673 -7.588 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.263 -8.258 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.809 -9.845 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.482 -9.853 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.570 -10.404 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.240 -11.533 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.858 -12.322 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.374 -12.009 -4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.663 -10.915 -5.154 1.00 0.00 H new ATOM 1168 N ILE A 71 3.572 -6.569 -2.119 1.00 0.00 N ATOM 1169 CA ILE A 71 2.154 -6.812 -2.513 1.00 0.00 C ATOM 1170 C ILE A 71 2.091 -7.158 -4.002 1.00 0.00 C ATOM 1171 O ILE A 71 2.992 -6.868 -4.762 1.00 0.00 O ATOM 1172 CB ILE A 71 1.326 -5.546 -2.233 1.00 0.00 C ATOM 1173 CG1 ILE A 71 0.892 -5.529 -0.766 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.077 -5.513 -3.123 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.507 -4.105 -0.363 1.00 0.00 C ATOM 0 H ILE A 71 3.884 -5.601 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 71 1.748 -7.643 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 71 1.943 -4.674 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.047 -6.201 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.702 -5.891 -0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.497 -4.611 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.377 -5.515 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.538 -6.390 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.198 -4.094 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.364 -3.445 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.316 -3.760 -0.989 1.00 0.00 H new ATOM 1187 N THR A 72 1.021 -7.772 -4.415 1.00 0.00 N ATOM 1188 CA THR A 72 0.866 -8.140 -5.848 1.00 0.00 C ATOM 1189 C THR A 72 -0.515 -7.695 -6.326 1.00 0.00 C ATOM 1190 O THR A 72 -1.459 -8.459 -6.315 1.00 0.00 O ATOM 1191 CB THR A 72 0.987 -9.658 -6.009 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.275 -10.080 -5.581 1.00 0.00 O ATOM 1193 CG2 THR A 72 0.786 -10.033 -7.478 1.00 0.00 C ATOM 0 H THR A 72 0.239 -8.037 -3.816 1.00 0.00 H new ATOM 0 HA THR A 72 1.643 -7.652 -6.436 1.00 0.00 H new ATOM 0 HB THR A 72 0.226 -10.149 -5.403 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.351 -11.052 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.872 -11.114 -7.593 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.203 -9.711 -7.804 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.546 -9.542 -8.086 1.00 0.00 H new ATOM 1201 N THR A 73 -0.643 -6.466 -6.740 1.00 0.00 N ATOM 1202 CA THR A 73 -1.968 -5.980 -7.213 1.00 0.00 C ATOM 1203 C THR A 73 -2.594 -7.041 -8.115 1.00 0.00 C ATOM 1204 O THR A 73 -1.913 -7.881 -8.665 1.00 0.00 O ATOM 1205 CB THR A 73 -1.793 -4.678 -7.999 1.00 0.00 C ATOM 1206 OG1 THR A 73 -1.348 -4.978 -9.315 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.764 -3.788 -7.300 1.00 0.00 C ATOM 0 H THR A 73 0.110 -5.779 -6.771 1.00 0.00 H new ATOM 0 HA THR A 73 -2.616 -5.794 -6.356 1.00 0.00 H new ATOM 0 HB THR A 73 -2.747 -4.153 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.767 -4.361 -9.951 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.642 -2.862 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.108 -3.558 -6.292 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.192 -4.309 -7.247 1.00 0.00 H new ATOM 1215 N THR A 74 -3.886 -7.012 -8.270 1.00 0.00 N ATOM 1216 CA THR A 74 -4.553 -8.025 -9.137 1.00 0.00 C ATOM 1217 C THR A 74 -3.980 -7.936 -10.555 1.00 0.00 C ATOM 1218 O THR A 74 -4.156 -8.826 -11.363 1.00 0.00 O ATOM 1219 CB THR A 74 -6.060 -7.757 -9.175 1.00 0.00 C ATOM 1220 OG1 THR A 74 -6.605 -8.292 -10.374 1.00 0.00 O ATOM 1221 CG2 THR A 74 -6.315 -6.250 -9.123 1.00 0.00 C ATOM 0 H THR A 74 -4.510 -6.332 -7.835 1.00 0.00 H new ATOM 0 HA THR A 74 -4.375 -9.022 -8.734 1.00 0.00 H new ATOM 0 HB THR A 74 -6.535 -8.232 -8.317 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.918 -8.809 -10.843 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.388 -6.061 -9.150 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.898 -5.842 -8.202 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.841 -5.771 -9.980 1.00 0.00 H new ATOM 1229 N LYS A 75 -3.293 -6.868 -10.862 1.00 0.00 N ATOM 1230 CA LYS A 75 -2.708 -6.722 -12.225 1.00 0.00 C ATOM 1231 C LYS A 75 -1.293 -7.310 -12.245 1.00 0.00 C ATOM 1232 O LYS A 75 -0.485 -6.978 -13.088 1.00 0.00 O ATOM 1233 CB LYS A 75 -2.647 -5.238 -12.598 1.00 0.00 C ATOM 1234 CG LYS A 75 -2.466 -5.097 -14.109 1.00 0.00 C ATOM 1235 CD LYS A 75 -1.444 -3.995 -14.400 1.00 0.00 C ATOM 1236 CE LYS A 75 -1.761 -3.348 -15.750 1.00 0.00 C ATOM 1237 NZ LYS A 75 -2.907 -2.408 -15.594 1.00 0.00 N ATOM 0 H LYS A 75 -3.112 -6.091 -10.227 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.331 -7.254 -12.944 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.561 -4.735 -12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.821 -4.755 -12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.129 -6.042 -14.535 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.420 -4.857 -14.579 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.468 -3.244 -13.610 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.437 -4.412 -14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.887 -2.814 -16.123 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.004 -4.115 -16.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.952 -1.776 -16.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.792 -2.949 -15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.777 -1.842 -14.731 1.00 0.00 H new ATOM 1251 N GLN A 76 -0.990 -8.184 -11.324 1.00 0.00 N ATOM 1252 CA GLN A 76 0.370 -8.794 -11.293 1.00 0.00 C ATOM 1253 C GLN A 76 1.421 -7.699 -11.092 1.00 0.00 C ATOM 1254 O GLN A 76 2.506 -7.763 -11.633 1.00 0.00 O ATOM 1255 CB GLN A 76 0.632 -9.513 -12.618 1.00 0.00 C ATOM 1256 CG GLN A 76 1.023 -10.967 -12.345 1.00 0.00 C ATOM 1257 CD GLN A 76 1.599 -11.585 -13.621 1.00 0.00 C ATOM 1258 OE1 GLN A 76 1.655 -10.942 -14.651 1.00 0.00 O ATOM 1259 NE2 GLN A 76 2.032 -12.817 -13.597 1.00 0.00 N ATOM 0 H GLN A 76 -1.625 -8.502 -10.592 1.00 0.00 H new ATOM 0 HA GLN A 76 0.429 -9.507 -10.470 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.259 -9.477 -13.245 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.428 -9.009 -13.166 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.758 -11.013 -11.541 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.153 -11.533 -12.014 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.985 -13.357 -12.733 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.417 -13.239 -14.442 1.00 0.00 H new ATOM 1268 N GLN A 77 1.108 -6.695 -10.319 1.00 0.00 N ATOM 1269 CA GLN A 77 2.093 -5.601 -10.088 1.00 0.00 C ATOM 1270 C GLN A 77 2.728 -5.768 -8.705 1.00 0.00 C ATOM 1271 O GLN A 77 2.092 -5.561 -7.690 1.00 0.00 O ATOM 1272 CB GLN A 77 1.382 -4.248 -10.162 1.00 0.00 C ATOM 1273 CG GLN A 77 2.056 -3.374 -11.222 1.00 0.00 C ATOM 1274 CD GLN A 77 2.566 -2.085 -10.574 1.00 0.00 C ATOM 1275 OE1 GLN A 77 1.808 -1.358 -9.962 1.00 0.00 O ATOM 1276 NE2 GLN A 77 3.827 -1.768 -10.684 1.00 0.00 N ATOM 0 H GLN A 77 0.215 -6.585 -9.839 1.00 0.00 H new ATOM 0 HA GLN A 77 2.869 -5.646 -10.852 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.330 -4.391 -10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.417 -3.753 -9.191 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.884 -3.915 -11.681 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.349 -3.138 -12.017 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.463 -2.378 -11.197 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.176 -0.910 -10.256 1.00 0.00 H new ATOM 1285 N ASP A 78 3.978 -6.141 -8.657 1.00 0.00 N ATOM 1286 CA ASP A 78 4.653 -6.322 -7.340 1.00 0.00 C ATOM 1287 C ASP A 78 4.992 -4.952 -6.748 1.00 0.00 C ATOM 1288 O ASP A 78 5.289 -4.014 -7.462 1.00 0.00 O ATOM 1289 CB ASP A 78 5.942 -7.124 -7.533 1.00 0.00 C ATOM 1290 CG ASP A 78 5.614 -8.474 -8.174 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.246 -8.481 -9.337 1.00 0.00 O ATOM 1292 OD2 ASP A 78 5.738 -9.477 -7.492 1.00 0.00 O ATOM 0 H ASP A 78 4.561 -6.328 -9.473 1.00 0.00 H new ATOM 0 HA ASP A 78 3.988 -6.858 -6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.637 -6.569 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.435 -7.276 -6.573 1.00 0.00 H new ATOM 1297 N HIS A 79 4.949 -4.827 -5.450 1.00 0.00 N ATOM 1298 CA HIS A 79 5.269 -3.515 -4.818 1.00 0.00 C ATOM 1299 C HIS A 79 6.084 -3.743 -3.542 1.00 0.00 C ATOM 1300 O HIS A 79 5.615 -4.340 -2.593 1.00 0.00 O ATOM 1301 CB HIS A 79 3.970 -2.788 -4.468 1.00 0.00 C ATOM 1302 CG HIS A 79 3.442 -2.086 -5.689 1.00 0.00 C ATOM 1303 ND1 HIS A 79 3.763 -0.770 -5.980 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.615 -2.504 -6.702 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.137 -0.444 -7.127 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.423 -1.465 -7.609 1.00 0.00 N ATOM 0 H HIS A 79 4.707 -5.575 -4.800 1.00 0.00 H new ATOM 0 HA HIS A 79 5.850 -2.911 -5.515 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.232 -3.499 -4.097 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.148 -2.067 -3.670 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.180 -3.489 -6.783 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.204 0.525 -7.600 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.859 -1.480 -8.459 1.00 0.00 H new ATOM 1314 N PHE A 80 7.300 -3.270 -3.511 1.00 0.00 N ATOM 1315 CA PHE A 80 8.143 -3.459 -2.295 1.00 0.00 C ATOM 1316 C PHE A 80 8.100 -2.187 -1.441 1.00 0.00 C ATOM 1317 O PHE A 80 8.331 -1.095 -1.924 1.00 0.00 O ATOM 1318 CB PHE A 80 9.586 -3.747 -2.713 1.00 0.00 C ATOM 1319 CG PHE A 80 9.592 -4.555 -3.990 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.498 -3.908 -5.230 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.691 -5.952 -3.935 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.506 -4.658 -6.414 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.699 -6.701 -5.119 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.606 -6.054 -6.358 1.00 0.00 C ATOM 0 H PHE A 80 7.746 -2.761 -4.274 1.00 0.00 H new ATOM 0 HA PHE A 80 7.760 -4.299 -1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.126 -2.812 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.102 -4.293 -1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.419 -2.832 -5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.761 -6.451 -2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.435 -4.160 -7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.777 -7.777 -5.076 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.611 -6.632 -7.270 1.00 0.00 H new ATOM 1334 N PHE A 81 7.804 -2.321 -0.177 1.00 0.00 N ATOM 1335 CA PHE A 81 7.740 -1.123 0.711 1.00 0.00 C ATOM 1336 C PHE A 81 8.293 -1.501 2.091 1.00 0.00 C ATOM 1337 O PHE A 81 8.369 -2.663 2.435 1.00 0.00 O ATOM 1338 CB PHE A 81 6.269 -0.638 0.765 1.00 0.00 C ATOM 1339 CG PHE A 81 5.684 -0.628 2.167 1.00 0.00 C ATOM 1340 CD1 PHE A 81 5.768 -1.754 3.001 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.024 0.522 2.618 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.198 -1.722 4.281 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.457 0.553 3.894 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.542 -0.567 4.726 1.00 0.00 C ATOM 0 H PHE A 81 7.603 -3.210 0.281 1.00 0.00 H new ATOM 0 HA PHE A 81 8.349 -0.302 0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 81 6.211 0.368 0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.659 -1.281 0.130 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.272 -2.645 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.953 1.388 1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.264 -2.587 4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.952 1.444 4.238 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.102 -0.542 5.712 1.00 0.00 H new ATOM 1354 N GLN A 82 8.689 -0.541 2.883 1.00 0.00 N ATOM 1355 CA GLN A 82 9.241 -0.875 4.227 1.00 0.00 C ATOM 1356 C GLN A 82 8.782 0.161 5.255 1.00 0.00 C ATOM 1357 O GLN A 82 8.863 1.355 5.027 1.00 0.00 O ATOM 1358 CB GLN A 82 10.769 -0.886 4.164 1.00 0.00 C ATOM 1359 CG GLN A 82 11.332 -1.383 5.497 1.00 0.00 C ATOM 1360 CD GLN A 82 12.464 -0.459 5.951 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.581 -0.897 6.140 1.00 0.00 O ATOM 1362 NE2 GLN A 82 12.221 0.810 6.134 1.00 0.00 N ATOM 0 H GLN A 82 8.655 0.454 2.659 1.00 0.00 H new ATOM 0 HA GLN A 82 8.879 -1.859 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.105 -1.531 3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.142 0.116 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.544 -1.407 6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.702 -2.403 5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.283 1.178 5.975 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.969 1.434 6.436 1.00 0.00 H new ATOM 1371 N ALA A 83 8.305 -0.289 6.385 1.00 0.00 N ATOM 1372 CA ALA A 83 7.839 0.661 7.436 1.00 0.00 C ATOM 1373 C ALA A 83 8.986 0.957 8.407 1.00 0.00 C ATOM 1374 O ALA A 83 9.687 1.940 8.270 1.00 0.00 O ATOM 1375 CB ALA A 83 6.670 0.040 8.202 1.00 0.00 C ATOM 0 H ALA A 83 8.218 -1.276 6.626 1.00 0.00 H new ATOM 0 HA ALA A 83 7.515 1.589 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.329 0.734 8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.852 -0.168 7.512 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.995 -0.889 8.670 1.00 0.00 H new ATOM 1381 N ALA A 84 9.181 0.120 9.391 1.00 0.00 N ATOM 1382 CA ALA A 84 10.283 0.367 10.366 1.00 0.00 C ATOM 1383 C ALA A 84 10.300 -0.727 11.429 1.00 0.00 C ATOM 1384 O ALA A 84 11.215 -1.520 11.512 1.00 0.00 O ATOM 1385 CB ALA A 84 10.069 1.726 11.038 1.00 0.00 C ATOM 0 H ALA A 84 8.628 -0.720 9.561 1.00 0.00 H new ATOM 0 HA ALA A 84 11.236 0.362 9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.873 1.910 11.751 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.069 2.510 10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.113 1.727 11.561 1.00 0.00 H new ATOM 1391 N PHE A 85 9.297 -0.760 12.246 1.00 0.00 N ATOM 1392 CA PHE A 85 9.240 -1.791 13.327 1.00 0.00 C ATOM 1393 C PHE A 85 8.068 -2.744 13.074 1.00 0.00 C ATOM 1394 O PHE A 85 7.235 -2.508 12.223 1.00 0.00 O ATOM 1395 CB PHE A 85 9.057 -1.118 14.697 1.00 0.00 C ATOM 1396 CG PHE A 85 8.729 0.348 14.527 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.748 1.265 14.231 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.407 0.793 14.663 1.00 0.00 C ATOM 1399 CE1 PHE A 85 9.446 2.623 14.071 1.00 0.00 C ATOM 1400 CE2 PHE A 85 7.104 2.152 14.503 1.00 0.00 C ATOM 1401 CZ PHE A 85 8.123 3.067 14.207 1.00 0.00 C ATOM 0 H PHE A 85 8.505 -0.118 12.219 1.00 0.00 H new ATOM 0 HA PHE A 85 10.176 -2.350 13.324 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.258 -1.614 15.249 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.967 -1.227 15.287 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.767 0.923 14.126 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.621 0.088 14.891 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.232 3.328 13.843 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.085 2.494 14.608 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.889 4.114 14.084 1.00 0.00 H new ATOM 1411 N LEU A 86 8.003 -3.822 13.811 1.00 0.00 N ATOM 1412 CA LEU A 86 6.889 -4.795 13.617 1.00 0.00 C ATOM 1413 C LEU A 86 5.552 -4.113 13.924 1.00 0.00 C ATOM 1414 O LEU A 86 4.504 -4.568 13.514 1.00 0.00 O ATOM 1415 CB LEU A 86 7.101 -6.008 14.545 1.00 0.00 C ATOM 1416 CG LEU A 86 6.335 -5.833 15.865 1.00 0.00 C ATOM 1417 CD1 LEU A 86 6.633 -7.013 16.791 1.00 0.00 C ATOM 1418 CD2 LEU A 86 6.771 -4.533 16.543 1.00 0.00 C ATOM 0 H LEU A 86 8.673 -4.070 14.539 1.00 0.00 H new ATOM 0 HA LEU A 86 6.876 -5.140 12.583 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.766 -6.916 14.044 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.164 -6.131 14.751 1.00 0.00 H new ATOM 0 HG LEU A 86 5.266 -5.794 15.658 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.089 -6.887 17.727 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.320 -7.940 16.311 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.703 -7.054 16.996 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.226 -4.411 17.479 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.841 -4.570 16.748 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.557 -3.690 15.886 1.00 0.00 H new ATOM 1430 N GLU A 87 5.579 -3.028 14.646 1.00 0.00 N ATOM 1431 CA GLU A 87 4.308 -2.328 14.980 1.00 0.00 C ATOM 1432 C GLU A 87 3.752 -1.656 13.723 1.00 0.00 C ATOM 1433 O GLU A 87 2.710 -2.026 13.220 1.00 0.00 O ATOM 1434 CB GLU A 87 4.574 -1.268 16.051 1.00 0.00 C ATOM 1435 CG GLU A 87 3.666 -1.520 17.257 1.00 0.00 C ATOM 1436 CD GLU A 87 3.194 -0.182 17.829 1.00 0.00 C ATOM 1437 OE1 GLU A 87 4.043 0.623 18.176 1.00 0.00 O ATOM 1438 OE2 GLU A 87 1.993 0.014 17.911 1.00 0.00 O ATOM 0 H GLU A 87 6.425 -2.596 15.019 1.00 0.00 H new ATOM 0 HA GLU A 87 3.584 -3.050 15.357 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.620 -1.300 16.357 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.390 -0.273 15.646 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.808 -2.123 16.960 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.204 -2.084 18.019 1.00 0.00 H new ATOM 1445 N GLU A 88 4.440 -0.674 13.210 1.00 0.00 N ATOM 1446 CA GLU A 88 3.951 0.016 11.984 1.00 0.00 C ATOM 1447 C GLU A 88 3.996 -0.957 10.805 1.00 0.00 C ATOM 1448 O GLU A 88 3.380 -0.737 9.781 1.00 0.00 O ATOM 1449 CB GLU A 88 4.845 1.221 11.686 1.00 0.00 C ATOM 1450 CG GLU A 88 4.013 2.503 11.769 1.00 0.00 C ATOM 1451 CD GLU A 88 4.296 3.209 13.098 1.00 0.00 C ATOM 1452 OE1 GLU A 88 3.894 2.682 14.121 1.00 0.00 O ATOM 1453 OE2 GLU A 88 4.908 4.263 13.067 1.00 0.00 O ATOM 0 H GLU A 88 5.319 -0.320 13.587 1.00 0.00 H new ATOM 0 HA GLU A 88 2.927 0.355 12.139 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.669 1.262 12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.286 1.124 10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.256 3.162 10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.952 2.267 11.689 1.00 0.00 H new ATOM 1460 N ARG A 89 4.720 -2.035 10.944 1.00 0.00 N ATOM 1461 CA ARG A 89 4.803 -3.024 9.832 1.00 0.00 C ATOM 1462 C ARG A 89 3.489 -3.805 9.751 1.00 0.00 C ATOM 1463 O ARG A 89 2.810 -3.788 8.746 1.00 0.00 O ATOM 1464 CB ARG A 89 5.956 -3.996 10.093 1.00 0.00 C ATOM 1465 CG ARG A 89 5.847 -5.185 9.135 1.00 0.00 C ATOM 1466 CD ARG A 89 5.397 -6.427 9.907 1.00 0.00 C ATOM 1467 NE ARG A 89 5.550 -7.632 9.044 1.00 0.00 N ATOM 1468 CZ ARG A 89 4.544 -8.443 8.870 1.00 0.00 C ATOM 1469 NH1 ARG A 89 3.673 -8.212 7.926 1.00 0.00 N ATOM 1470 NH2 ARG A 89 4.406 -9.488 9.640 1.00 0.00 N ATOM 0 H ARG A 89 5.257 -2.273 11.778 1.00 0.00 H new ATOM 0 HA ARG A 89 4.978 -2.500 8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.911 -3.490 9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.926 -4.343 11.126 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.135 -4.961 8.341 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.809 -5.370 8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.991 -6.539 10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.358 -6.319 10.217 1.00 0.00 H new ATOM 0 HE ARG A 89 6.443 -7.823 8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 89 3.779 -7.396 7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.887 -8.847 7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.085 -9.671 10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.619 -10.122 9.503 1.00 0.00 H new ATOM 1484 N ASP A 90 3.127 -4.486 10.803 1.00 0.00 N ATOM 1485 CA ASP A 90 1.857 -5.263 10.783 1.00 0.00 C ATOM 1486 C ASP A 90 0.679 -4.289 10.732 1.00 0.00 C ATOM 1487 O ASP A 90 -0.439 -4.663 10.435 1.00 0.00 O ATOM 1488 CB ASP A 90 1.760 -6.120 12.048 1.00 0.00 C ATOM 1489 CG ASP A 90 0.376 -6.765 12.122 1.00 0.00 C ATOM 1490 OD1 ASP A 90 0.145 -7.713 11.390 1.00 0.00 O ATOM 1491 OD2 ASP A 90 -0.431 -6.301 12.911 1.00 0.00 O ATOM 0 H ASP A 90 3.655 -4.538 11.674 1.00 0.00 H new ATOM 0 HA ASP A 90 1.836 -5.913 9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.532 -6.890 12.039 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.934 -5.505 12.931 1.00 0.00 H new ATOM 1496 N ALA A 91 0.923 -3.039 11.009 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.180 -2.040 10.961 1.00 0.00 C ATOM 1498 C ALA A 91 -0.380 -1.610 9.510 1.00 0.00 C ATOM 1499 O ALA A 91 -1.480 -1.336 9.076 1.00 0.00 O ATOM 1500 CB ALA A 91 0.190 -0.824 11.812 1.00 0.00 C ATOM 0 H ALA A 91 1.837 -2.666 11.266 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.099 -2.478 11.351 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.619 -0.094 11.775 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.350 -1.137 12.844 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.103 -0.373 11.424 1.00 0.00 H new ATOM 1506 N TRP A 92 0.683 -1.560 8.756 1.00 0.00 N ATOM 1507 CA TRP A 92 0.575 -1.163 7.330 1.00 0.00 C ATOM 1508 C TRP A 92 0.157 -2.384 6.505 1.00 0.00 C ATOM 1509 O TRP A 92 -0.438 -2.265 5.453 1.00 0.00 O ATOM 1510 CB TRP A 92 1.942 -0.672 6.855 1.00 0.00 C ATOM 1511 CG TRP A 92 1.964 0.822 6.835 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.458 1.603 7.823 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.486 1.727 5.798 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.315 2.929 7.459 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.720 3.057 6.220 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.877 1.523 4.545 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.363 4.148 5.425 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.517 2.618 3.742 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.759 3.928 4.182 1.00 0.00 C ATOM 0 H TRP A 92 1.628 -1.779 9.072 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.165 -0.371 7.211 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.723 -1.048 7.516 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.153 -1.061 5.859 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.893 1.248 8.746 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.613 3.716 8.035 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.685 0.518 4.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.552 5.155 5.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.052 2.451 2.782 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.479 4.767 3.562 1.00 0.00 H new ATOM 1530 N VAL A 93 0.466 -3.561 6.985 1.00 0.00 N ATOM 1531 CA VAL A 93 0.095 -4.803 6.248 1.00 0.00 C ATOM 1532 C VAL A 93 -1.378 -5.128 6.512 1.00 0.00 C ATOM 1533 O VAL A 93 -2.098 -5.554 5.631 1.00 0.00 O ATOM 1534 CB VAL A 93 0.975 -5.962 6.735 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.426 -5.490 6.850 1.00 0.00 C ATOM 1536 CG2 VAL A 93 0.489 -6.438 8.106 1.00 0.00 C ATOM 0 H VAL A 93 0.963 -3.714 7.862 1.00 0.00 H new ATOM 0 HA VAL A 93 0.247 -4.657 5.179 1.00 0.00 H new ATOM 0 HB VAL A 93 0.912 -6.784 6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.050 -6.314 7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.777 -5.153 5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.485 -4.666 7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.116 -7.261 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.548 -5.615 8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.544 -6.777 8.028 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.826 -4.933 7.722 1.00 0.00 N ATOM 1547 CA ARG A 94 -3.248 -5.233 8.050 1.00 0.00 C ATOM 1548 C ARG A 94 -4.146 -4.109 7.532 1.00 0.00 C ATOM 1549 O ARG A 94 -5.319 -4.303 7.295 1.00 0.00 O ATOM 1550 CB ARG A 94 -3.409 -5.355 9.567 1.00 0.00 C ATOM 1551 CG ARG A 94 -3.272 -3.973 10.208 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.365 -4.104 11.729 1.00 0.00 C ATOM 1553 NE ARG A 94 -4.782 -3.939 12.158 1.00 0.00 N ATOM 1554 CZ ARG A 94 -5.280 -4.718 13.079 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -4.520 -5.153 14.047 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -6.539 -5.060 13.034 1.00 0.00 N ATOM 0 H ARG A 94 -1.268 -4.578 8.498 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.535 -6.172 7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.382 -5.784 9.807 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.655 -6.031 9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -2.319 -3.524 9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.056 -3.311 9.841 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.990 -5.078 12.044 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.739 -3.351 12.208 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.363 -3.217 11.732 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.537 -4.884 14.084 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.909 -5.762 14.767 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.134 -4.718 12.279 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.928 -5.669 13.754 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.611 -2.932 7.358 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.451 -1.808 6.856 1.00 0.00 C ATOM 1572 C ASP A 95 -4.572 -1.901 5.333 1.00 0.00 C ATOM 1573 O ASP A 95 -5.652 -1.832 4.783 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.810 -0.472 7.238 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.909 0.538 7.577 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.695 0.847 6.696 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.949 0.981 8.712 1.00 0.00 O ATOM 0 H ASP A 95 -2.635 -2.700 7.540 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.442 -1.872 7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.146 -0.605 8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.200 -0.100 6.415 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.472 -2.060 4.647 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.533 -2.161 3.162 1.00 0.00 C ATOM 1584 C ILE A 96 -4.112 -3.523 2.770 1.00 0.00 C ATOM 1585 O ILE A 96 -4.769 -3.663 1.757 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.124 -2.016 2.578 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.657 -0.565 2.738 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.148 -2.385 1.094 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.282 -0.381 2.083 1.00 0.00 C ATOM 0 H ILE A 96 -2.537 -2.124 5.050 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.169 -1.367 2.769 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.439 -2.680 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.380 0.111 2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.603 -0.306 3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.146 -2.282 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.484 -3.416 0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.831 -1.720 0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.042 0.653 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.440 -1.044 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.349 -0.621 1.022 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.872 -4.527 3.569 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.403 -5.882 3.249 1.00 0.00 C ATOM 1603 C ASN A 97 -5.868 -5.979 3.680 1.00 0.00 C ATOM 1604 O ASN A 97 -6.673 -6.614 3.028 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.580 -6.937 3.991 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.059 -8.333 3.591 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.361 -8.571 2.345 1.00 0.00 O flip ATOM 1608 ND2 ASN A 97 -4.159 -9.215 4.420 1.00 0.00 N flip ATOM 0 H ASN A 97 -3.330 -4.467 4.431 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.334 -6.053 2.175 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.523 -6.822 3.753 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.681 -6.801 5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.923 -9.028 5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.479 -10.143 4.142 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.223 -5.357 4.771 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.639 -5.419 5.235 1.00 0.00 C ATOM 1617 C LYS A 98 -8.510 -4.580 4.299 1.00 0.00 C ATOM 1618 O LYS A 98 -9.628 -4.940 3.985 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.738 -4.868 6.659 1.00 0.00 C ATOM 1620 CG LYS A 98 -9.178 -4.989 7.159 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.180 -5.092 8.686 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.887 -3.872 9.281 1.00 0.00 C ATOM 1623 NZ LYS A 98 -9.071 -3.321 10.399 1.00 0.00 N ATOM 0 H LYS A 98 -5.596 -4.810 5.360 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.982 -6.454 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.066 -5.417 7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.422 -3.825 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.759 -4.123 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.653 -5.868 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.685 -6.006 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.157 -5.150 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.032 -3.112 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.876 -4.152 9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.551 -2.492 10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.955 -4.047 11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.136 -3.039 10.040 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.005 -3.465 3.844 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.802 -2.610 2.923 1.00 0.00 C ATOM 1639 C ALA A 99 -8.967 -3.332 1.585 1.00 0.00 C ATOM 1640 O ALA A 99 -10.036 -3.357 1.009 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.075 -1.281 2.701 1.00 0.00 C ATOM 0 H ALA A 99 -7.076 -3.111 4.071 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.782 -2.416 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.659 -0.655 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.952 -0.769 3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.095 -1.471 2.263 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.916 -3.928 1.089 1.00 0.00 N ATOM 1648 CA ILE A 100 -8.014 -4.654 -0.209 1.00 0.00 C ATOM 1649 C ILE A 100 -8.892 -5.894 -0.026 1.00 0.00 C ATOM 1650 O ILE A 100 -9.566 -6.329 -0.938 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.616 -5.075 -0.665 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.838 -3.842 -1.130 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.732 -6.069 -1.822 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.343 -4.166 -1.171 1.00 0.00 C ATOM 0 H ILE A 100 -6.995 -3.943 1.527 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.456 -4.002 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.091 -5.545 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.181 -3.534 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.021 -3.007 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.735 -6.368 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.285 -6.948 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.258 -5.600 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.789 -3.288 -1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.006 -4.453 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.168 -4.988 -1.865 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.892 -6.464 1.149 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.730 -7.673 1.391 1.00 0.00 C ATOM 1668 C LYS A 101 -11.148 -7.241 1.762 1.00 0.00 C ATOM 1669 O LYS A 101 -12.061 -8.043 1.809 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.130 -8.496 2.532 1.00 0.00 C ATOM 1671 CG LYS A 101 -8.761 -9.889 2.021 1.00 0.00 C ATOM 1672 CD LYS A 101 -10.031 -10.635 1.606 1.00 0.00 C ATOM 1673 CE LYS A 101 -9.665 -12.046 1.140 1.00 0.00 C ATOM 1674 NZ LYS A 101 -10.804 -12.630 0.378 1.00 0.00 N ATOM 0 H LYS A 101 -8.348 -6.145 1.951 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.759 -8.281 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.246 -7.997 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.845 -8.576 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.081 -9.808 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.237 -10.446 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.726 -10.686 2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.537 -10.096 0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.773 -12.014 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.428 -12.674 1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.555 -13.589 0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.644 -12.675 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.009 -12.035 -0.450 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.341 -5.980 2.020 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.700 -5.489 2.384 1.00 0.00 C ATOM 1690 C CYS A 102 -13.404 -4.987 1.122 1.00 0.00 C ATOM 1691 O CYS A 102 -14.615 -4.903 1.064 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.578 -4.343 3.391 1.00 0.00 C ATOM 1693 SG CYS A 102 -14.231 -3.822 3.915 1.00 0.00 S ATOM 0 H CYS A 102 -10.615 -5.264 1.995 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.276 -6.300 2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.995 -4.664 4.255 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.046 -3.505 2.941 1.00 0.00 H new ATOM 0 HG CYS A 102 -15.085 -4.067 2.966 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.650 -4.658 0.111 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.263 -4.166 -1.154 1.00 0.00 C ATOM 1701 C ILE A 103 -13.867 -5.355 -1.912 1.00 0.00 C ATOM 1702 O ILE A 103 -14.818 -5.212 -2.655 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.174 -3.479 -1.998 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.100 -1.998 -1.621 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -12.491 -3.597 -3.493 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.429 -1.318 -1.951 1.00 0.00 C ATOM 0 H ILE A 103 -11.631 -4.709 0.106 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.054 -3.447 -0.943 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.221 -3.969 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.880 -1.893 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.288 -1.514 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.709 -3.105 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.541 -4.649 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.449 -3.121 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.375 -0.263 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.630 -1.410 -3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -14.231 -1.795 -1.388 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.321 -6.527 -1.728 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.864 -7.722 -2.436 1.00 0.00 C ATOM 1720 C GLU A 104 -15.221 -8.099 -1.838 1.00 0.00 C ATOM 1721 O GLU A 104 -15.901 -8.981 -2.323 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.894 -8.893 -2.276 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.457 -8.393 -2.437 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.647 -9.412 -3.240 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -11.128 -9.834 -4.279 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -9.561 -9.754 -2.804 1.00 0.00 O ATOM 0 H GLU A 104 -12.523 -6.708 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.986 -7.492 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.022 -9.354 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.108 -9.661 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.451 -7.428 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.002 -8.241 -1.458 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.621 -7.436 -0.790 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.934 -7.751 -0.160 1.00 0.00 C ATOM 1735 C GLY A 105 -17.724 -6.457 0.036 1.00 0.00 C ATOM 1736 O GLY A 105 -18.728 -6.425 0.720 1.00 0.00 O ATOM 0 H GLY A 105 -15.094 -6.687 -0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.496 -8.442 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.781 -8.246 0.799 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.272 -5.391 -0.558 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.985 -4.094 -0.414 1.00 0.00 C ATOM 1742 C LEU A 106 -18.816 -3.835 -1.667 1.00 0.00 C ATOM 1743 O LEU A 106 -18.657 -2.839 -2.344 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.962 -2.972 -0.227 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.111 -2.374 1.173 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -16.179 -1.169 1.313 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -18.559 -1.926 1.386 1.00 0.00 C ATOM 0 H LEU A 106 -16.435 -5.362 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.643 -4.128 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.952 -3.360 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -17.111 -2.200 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.850 -3.125 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -16.284 -0.742 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -15.148 -1.487 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -16.440 -0.418 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -18.665 -1.500 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.821 -1.175 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -19.224 -2.784 1.285 1.00 0.00 H new ATOM 1759 N GLU A 107 -19.701 -4.735 -1.974 1.00 0.00 N ATOM 1760 CA GLU A 107 -20.557 -4.566 -3.181 1.00 0.00 C ATOM 1761 C GLU A 107 -22.031 -4.550 -2.767 1.00 0.00 C ATOM 1762 O GLU A 107 -22.913 -4.773 -3.571 1.00 0.00 O ATOM 1763 CB GLU A 107 -20.313 -5.730 -4.145 1.00 0.00 C ATOM 1764 CG GLU A 107 -18.832 -5.775 -4.524 1.00 0.00 C ATOM 1765 CD GLU A 107 -18.648 -6.651 -5.764 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -18.761 -7.858 -5.634 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -18.398 -6.099 -6.823 1.00 0.00 O ATOM 0 H GLU A 107 -19.872 -5.587 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 107 -20.308 -3.625 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -20.609 -6.670 -3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -20.925 -5.610 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.465 -4.767 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.246 -6.172 -3.695 1.00 0.00 H new ATOM 1774 N HIS A 108 -22.302 -4.287 -1.518 1.00 0.00 N ATOM 1775 CA HIS A 108 -23.719 -4.257 -1.056 1.00 0.00 C ATOM 1776 C HIS A 108 -23.777 -3.707 0.370 1.00 0.00 C ATOM 1777 O HIS A 108 -23.747 -4.446 1.333 1.00 0.00 O ATOM 1778 CB HIS A 108 -24.293 -5.676 -1.079 1.00 0.00 C ATOM 1779 CG HIS A 108 -25.789 -5.608 -1.206 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -26.637 -6.031 -0.194 1.00 0.00 N ATOM 1781 CD2 HIS A 108 -26.605 -5.169 -2.219 1.00 0.00 C ATOM 1782 CE1 HIS A 108 -27.900 -5.839 -0.617 1.00 0.00 C ATOM 1783 NE2 HIS A 108 -27.938 -5.315 -1.845 1.00 0.00 N ATOM 0 H HIS A 108 -21.606 -4.092 -0.799 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.304 -3.618 -1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -23.871 -6.237 -1.913 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.018 -6.206 -0.167 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -26.264 -4.771 -3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -28.777 -6.080 -0.034 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -28.765 -5.074 -2.391 1.00 0.00 H new ATOM 1791 N HIS A 109 -23.861 -2.413 0.512 1.00 0.00 N ATOM 1792 CA HIS A 109 -23.920 -1.816 1.875 1.00 0.00 C ATOM 1793 C HIS A 109 -23.790 -0.295 1.770 1.00 0.00 C ATOM 1794 O HIS A 109 -22.825 0.221 1.240 1.00 0.00 O ATOM 1795 CB HIS A 109 -22.773 -2.369 2.724 1.00 0.00 C ATOM 1796 CG HIS A 109 -23.314 -2.864 4.038 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -22.824 -2.415 5.253 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -24.301 -3.768 4.342 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -23.509 -3.046 6.225 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -24.422 -3.882 5.724 1.00 0.00 N ATOM 0 H HIS A 109 -23.891 -1.744 -0.257 1.00 0.00 H new ATOM 0 HA HIS A 109 -24.872 -2.068 2.342 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -22.274 -3.181 2.195 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -22.026 -1.593 2.895 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -24.894 -4.309 3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -23.341 -2.895 7.281 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -25.069 -4.476 6.243 1.00 0.00 H new ATOM 1808 N HIS A 110 -24.753 0.429 2.272 1.00 0.00 N ATOM 1809 CA HIS A 110 -24.684 1.916 2.199 1.00 0.00 C ATOM 1810 C HIS A 110 -23.871 2.447 3.383 1.00 0.00 C ATOM 1811 O HIS A 110 -24.414 2.819 4.403 1.00 0.00 O ATOM 1812 CB HIS A 110 -26.098 2.497 2.250 1.00 0.00 C ATOM 1813 CG HIS A 110 -26.289 3.452 1.105 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -27.510 3.607 0.468 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -25.423 4.307 0.470 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -27.348 4.525 -0.503 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -26.094 4.984 -0.545 1.00 0.00 N ATOM 0 H HIS A 110 -25.584 0.055 2.729 1.00 0.00 H new ATOM 0 HA HIS A 110 -24.204 2.212 1.266 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -26.834 1.695 2.195 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -26.257 3.012 3.197 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -24.380 4.435 0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -28.135 4.851 -1.167 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -25.710 5.681 -1.184 1.00 0.00 H new ATOM 1825 N HIS A 111 -22.573 2.485 3.254 1.00 0.00 N ATOM 1826 CA HIS A 111 -21.729 2.993 4.372 1.00 0.00 C ATOM 1827 C HIS A 111 -21.972 2.144 5.620 1.00 0.00 C ATOM 1828 O HIS A 111 -22.612 1.112 5.565 1.00 0.00 O ATOM 1829 CB HIS A 111 -22.094 4.449 4.666 1.00 0.00 C ATOM 1830 CG HIS A 111 -22.215 5.208 3.374 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -21.120 5.467 2.564 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -23.294 5.770 2.737 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -21.560 6.158 1.497 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -22.877 6.370 1.553 1.00 0.00 N ATOM 0 H HIS A 111 -22.061 2.187 2.424 1.00 0.00 H new ATOM 0 HA HIS A 111 -20.678 2.932 4.090 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -23.034 4.495 5.216 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -21.332 4.905 5.298 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -24.311 5.749 3.100 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -20.925 6.500 0.693 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -23.454 6.866 0.873 1.00 0.00 H new ATOM 1842 N HIS A 112 -21.467 2.568 6.746 1.00 0.00 N ATOM 1843 CA HIS A 112 -21.672 1.785 7.998 1.00 0.00 C ATOM 1844 C HIS A 112 -23.052 2.103 8.576 1.00 0.00 C ATOM 1845 O HIS A 112 -23.877 1.229 8.753 1.00 0.00 O ATOM 1846 CB HIS A 112 -20.593 2.161 9.016 1.00 0.00 C ATOM 1847 CG HIS A 112 -19.534 1.093 9.040 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -19.229 0.331 7.924 1.00 0.00 N ATOM 1849 CD2 HIS A 112 -18.700 0.651 10.037 1.00 0.00 C ATOM 1850 CE1 HIS A 112 -18.250 -0.523 8.272 1.00 0.00 C ATOM 1851 NE2 HIS A 112 -17.890 -0.371 9.550 1.00 0.00 N ATOM 0 H HIS A 112 -20.921 3.423 6.853 1.00 0.00 H new ATOM 0 HA HIS A 112 -21.607 0.720 7.777 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -20.150 3.122 8.754 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -21.035 2.273 10.006 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -18.676 1.037 11.045 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -17.808 -1.244 7.600 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -17.176 -0.892 10.059 1.00 0.00 H new ATOM 1859 N HIS A 113 -23.309 3.348 8.872 1.00 0.00 N ATOM 1860 CA HIS A 113 -24.636 3.719 9.438 1.00 0.00 C ATOM 1861 C HIS A 113 -25.399 4.576 8.427 1.00 0.00 C ATOM 1862 O HIS A 113 -25.073 4.506 7.253 1.00 0.00 O ATOM 1863 CB HIS A 113 -24.437 4.513 10.730 1.00 0.00 C ATOM 1864 CG HIS A 113 -25.756 4.666 11.433 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -26.928 4.121 10.932 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -26.107 5.298 12.601 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -27.919 4.433 11.788 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -27.473 5.151 12.822 1.00 0.00 N ATOM 1869 OXT HIS A 113 -26.299 5.288 8.843 1.00 0.00 O ATOM 0 H HIS A 113 -22.658 4.123 8.746 1.00 0.00 H new ATOM 0 HA HIS A 113 -25.205 2.814 9.652 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -23.725 4.001 11.378 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -24.017 5.493 10.506 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -25.426 5.829 13.250 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -28.949 4.138 11.655 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -28.017 5.514 13.605 1.00 0.00 H new TER 1877 HIS A 113