USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 834 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 23 ASN : amide:sc= 0.883 K(o=1.9,f=-7.5!) USER MOD Set 1.2: B 205 LYS NZ :NH3+ 179:sc= 1 (180deg=-0.0325) USER MOD Set 2.1: A 7 CYS SG : rot 104:sc= -0.145 USER MOD Set 2.2: A 62 SER OG : rot -74:sc= 0.841 USER MOD Single : A 1 SER N :NH3+ 167:sc= 1.07 (180deg=0.854) USER MOD Single : A 1 SER OG : rot -39:sc= 0.511 USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= -0.0507 (180deg=-0.324) USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= -0.0116 (180deg=-0.115) USER MOD Single : A 10 MET CE :methyl 174:sc= -3.04 (180deg=-3.32) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.2) USER MOD Single : A 17 GLN : amide:sc= -1.45! C(o=-1.5!,f=-6.2!) USER MOD Single : A 19 SER OG : rot -51:sc= 1.13 USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= -0.0423 (180deg=-0.359) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.032) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.453 K(o=-0.45,f=-4.1!) USER MOD Single : A 39 SER OG : rot -81:sc= 1.25 USER MOD Single : A 43 SER OG : rot 180:sc= 0.139 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= 0.286 F(o=-0.53,f=0.29) USER MOD Single : A 58 THR OG1 : rot -72:sc= 0.406 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0.763) USER MOD Single : A 63 THR OG1 : rot 148:sc= 1.24 USER MOD Single : A 70 TYR OH : rot -164:sc= 1.09 USER MOD Single : A 72 THR OG1 : rot -2:sc= -0.147 USER MOD Single : A 73 SER OG : rot -86:sc= 1.25 USER MOD Single : A 74 CYS SG : rot -15:sc= -0.937 USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.097) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc=-0.00699 (180deg=-0.0712) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 204 LYS NZ :NH3+ -157:sc= -0.123 (180deg=-0.666) USER MOD Single : B 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 208 LYS NZ :NH3+ 136:sc= 0.869 (180deg=0.296) USER MOD Single : B 209 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0213) USER MOD Single : B 211 GLN :FLIP amide:sc= -2.23 F(o=-3.2!,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.588 0.187 5.578 1.00 0.00 N ATOM 2 CA SER A 1 -22.267 0.840 4.286 1.00 0.00 C ATOM 3 C SER A 1 -21.194 1.900 4.489 1.00 0.00 C ATOM 4 O SER A 1 -20.927 2.715 3.606 1.00 0.00 O ATOM 5 CB SER A 1 -23.530 1.480 3.697 1.00 0.00 C ATOM 6 OG SER A 1 -23.310 1.969 2.379 1.00 0.00 O ATOM 0 H1 SER A 1 -23.461 -0.370 5.478 1.00 0.00 H new ATOM 0 H2 SER A 1 -21.806 -0.441 5.853 1.00 0.00 H new ATOM 0 H3 SER A 1 -22.722 0.913 6.310 1.00 0.00 H new ATOM 0 HA SER A 1 -21.893 0.087 3.592 1.00 0.00 H new ATOM 0 HB2 SER A 1 -24.336 0.746 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 1 -23.856 2.299 4.339 1.00 0.00 H new ATOM 0 HG SER A 1 -22.422 2.380 2.327 1.00 0.00 H new ATOM 14 N GLU A 2 -20.566 1.876 5.649 1.00 0.00 N ATOM 15 CA GLU A 2 -19.643 2.922 6.025 1.00 0.00 C ATOM 16 C GLU A 2 -18.213 2.541 5.681 1.00 0.00 C ATOM 17 O GLU A 2 -17.353 3.405 5.549 1.00 0.00 O ATOM 18 CB GLU A 2 -19.769 3.224 7.516 1.00 0.00 C ATOM 19 CG GLU A 2 -21.133 3.767 7.924 1.00 0.00 C ATOM 20 CD GLU A 2 -22.179 2.683 8.088 1.00 0.00 C ATOM 21 OE1 GLU A 2 -22.303 2.149 9.206 1.00 0.00 O ATOM 22 OE2 GLU A 2 -22.877 2.356 7.105 1.00 0.00 O ATOM 0 H GLU A 2 -20.681 1.141 6.347 1.00 0.00 H new ATOM 0 HA GLU A 2 -19.897 3.819 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.569 2.313 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -19.003 3.947 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -21.034 4.313 8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -21.473 4.481 7.174 1.00 0.00 H new ATOM 29 N GLU A 3 -17.969 1.251 5.512 1.00 0.00 N ATOM 30 CA GLU A 3 -16.632 0.758 5.200 1.00 0.00 C ATOM 31 C GLU A 3 -16.095 1.405 3.924 1.00 0.00 C ATOM 32 O GLU A 3 -14.940 1.831 3.869 1.00 0.00 O ATOM 33 CB GLU A 3 -16.657 -0.763 5.047 1.00 0.00 C ATOM 34 CG GLU A 3 -17.130 -1.491 6.294 1.00 0.00 C ATOM 35 CD GLU A 3 -16.223 -1.252 7.482 1.00 0.00 C ATOM 36 OE1 GLU A 3 -15.094 -1.779 7.483 1.00 0.00 O ATOM 37 OE2 GLU A 3 -16.635 -0.542 8.426 1.00 0.00 O ATOM 0 H GLU A 3 -18.680 0.523 5.585 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.969 1.024 6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.309 -1.026 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.656 -1.111 4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.140 -1.165 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.182 -2.560 6.089 1.00 0.00 H new ATOM 44 N GLU A 4 -16.952 1.499 2.915 1.00 0.00 N ATOM 45 CA GLU A 4 -16.565 2.052 1.625 1.00 0.00 C ATOM 46 C GLU A 4 -16.895 3.544 1.536 1.00 0.00 C ATOM 47 O GLU A 4 -16.281 4.273 0.758 1.00 0.00 O ATOM 48 CB GLU A 4 -17.274 1.289 0.498 1.00 0.00 C ATOM 49 CG GLU A 4 -16.900 1.753 -0.902 1.00 0.00 C ATOM 50 CD GLU A 4 -17.681 1.035 -1.983 1.00 0.00 C ATOM 51 OE1 GLU A 4 -18.909 1.241 -2.070 1.00 0.00 O ATOM 52 OE2 GLU A 4 -17.071 0.269 -2.763 1.00 0.00 O ATOM 0 H GLU A 4 -17.925 1.197 2.967 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.486 1.940 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.042 0.228 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.351 1.392 0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.076 2.826 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.834 1.591 -1.061 1.00 0.00 H new ATOM 59 N ASP A 5 -17.853 4.006 2.335 1.00 0.00 N ATOM 60 CA ASP A 5 -18.311 5.391 2.222 1.00 0.00 C ATOM 61 C ASP A 5 -17.518 6.329 3.124 1.00 0.00 C ATOM 62 O ASP A 5 -17.211 7.458 2.735 1.00 0.00 O ATOM 63 CB ASP A 5 -19.802 5.514 2.527 1.00 0.00 C ATOM 64 CG ASP A 5 -20.366 6.848 2.081 1.00 0.00 C ATOM 65 OD1 ASP A 5 -20.702 6.982 0.882 1.00 0.00 O ATOM 66 OD2 ASP A 5 -20.478 7.765 2.922 1.00 0.00 O ATOM 0 H ASP A 5 -18.321 3.456 3.055 1.00 0.00 H new ATOM 0 HA ASP A 5 -18.141 5.689 1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -20.341 4.708 2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.964 5.392 3.598 1.00 0.00 H new ATOM 71 N LYS A 6 -17.187 5.866 4.325 1.00 0.00 N ATOM 72 CA LYS A 6 -16.390 6.658 5.258 1.00 0.00 C ATOM 73 C LYS A 6 -15.010 6.878 4.652 1.00 0.00 C ATOM 74 O LYS A 6 -14.441 7.972 4.713 1.00 0.00 O ATOM 75 CB LYS A 6 -16.271 5.928 6.605 1.00 0.00 C ATOM 76 CG LYS A 6 -16.114 6.835 7.820 1.00 0.00 C ATOM 77 CD LYS A 6 -14.911 7.752 7.704 1.00 0.00 C ATOM 78 CE LYS A 6 -14.673 8.525 8.988 1.00 0.00 C ATOM 79 NZ LYS A 6 -14.303 7.627 10.113 1.00 0.00 N ATOM 0 H LYS A 6 -17.458 4.947 4.676 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.872 7.620 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.157 5.309 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.416 5.254 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.015 7.436 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.016 6.223 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.026 7.163 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.063 8.450 6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.880 9.256 8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.573 9.082 9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.875 8.187 10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.155 7.148 10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.620 6.917 9.780 1.00 0.00 H new ATOM 93 N CYS A 7 -14.497 5.825 4.051 1.00 0.00 N ATOM 94 CA CYS A 7 -13.221 5.866 3.370 1.00 0.00 C ATOM 95 C CYS A 7 -13.374 6.552 2.017 1.00 0.00 C ATOM 96 O CYS A 7 -14.360 6.337 1.314 1.00 0.00 O ATOM 97 CB CYS A 7 -12.709 4.439 3.203 1.00 0.00 C ATOM 98 SG CYS A 7 -12.550 3.549 4.768 1.00 0.00 S ATOM 0 H CYS A 7 -14.955 4.914 4.021 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.501 6.438 3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.387 3.891 2.549 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -11.739 4.464 2.707 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.536 2.711 4.893 1.00 0.00 H new ATOM 104 N LYS A 8 -12.410 7.387 1.661 1.00 0.00 N ATOM 105 CA LYS A 8 -12.481 8.124 0.403 1.00 0.00 C ATOM 106 C LYS A 8 -12.039 7.246 -0.754 1.00 0.00 C ATOM 107 O LYS A 8 -11.043 6.527 -0.662 1.00 0.00 O ATOM 108 CB LYS A 8 -11.634 9.404 0.450 1.00 0.00 C ATOM 109 CG LYS A 8 -12.333 10.606 1.069 1.00 0.00 C ATOM 110 CD LYS A 8 -12.713 10.378 2.526 1.00 0.00 C ATOM 111 CE LYS A 8 -13.468 11.566 3.102 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.653 12.810 3.089 1.00 0.00 N ATOM 0 H LYS A 8 -11.575 7.572 2.218 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.520 8.415 0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.723 9.200 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.330 9.660 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.680 11.476 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.231 10.835 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.329 9.482 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.812 10.199 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.381 11.726 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.769 11.342 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.137 13.548 3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.721 12.619 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.530 13.134 2.109 1.00 0.00 H new ATOM 126 N PRO A 9 -12.777 7.312 -1.866 1.00 0.00 N ATOM 127 CA PRO A 9 -12.528 6.472 -3.032 1.00 0.00 C ATOM 128 C PRO A 9 -11.220 6.837 -3.718 1.00 0.00 C ATOM 129 O PRO A 9 -10.923 8.015 -3.917 1.00 0.00 O ATOM 130 CB PRO A 9 -13.721 6.758 -3.947 1.00 0.00 C ATOM 131 CG PRO A 9 -14.201 8.109 -3.544 1.00 0.00 C ATOM 132 CD PRO A 9 -13.901 8.240 -2.073 1.00 0.00 C ATOM 0 HA PRO A 9 -12.433 5.418 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.427 6.741 -4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.502 6.008 -3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.696 8.888 -4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.269 8.216 -3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.631 9.262 -1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.762 7.969 -1.462 1.00 0.00 H new ATOM 140 N MET A 10 -10.426 5.832 -4.048 1.00 0.00 N ATOM 141 CA MET A 10 -9.154 6.067 -4.707 1.00 0.00 C ATOM 142 C MET A 10 -9.292 5.827 -6.210 1.00 0.00 C ATOM 143 O MET A 10 -9.793 4.783 -6.630 1.00 0.00 O ATOM 144 CB MET A 10 -8.072 5.154 -4.130 1.00 0.00 C ATOM 145 CG MET A 10 -6.673 5.507 -4.602 1.00 0.00 C ATOM 146 SD MET A 10 -5.876 6.747 -3.572 1.00 0.00 S ATOM 147 CE MET A 10 -5.764 5.855 -2.032 1.00 0.00 C ATOM 0 H MET A 10 -10.639 4.850 -3.871 1.00 0.00 H new ATOM 0 HA MET A 10 -8.861 7.103 -4.535 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.105 5.206 -3.042 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.292 4.123 -4.406 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.061 4.605 -4.614 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.723 5.872 -5.628 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.196 6.443 -1.311 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.766 5.673 -1.643 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.261 4.902 -2.199 1.00 0.00 H new ATOM 157 N SER A 11 -8.857 6.788 -7.016 1.00 0.00 N ATOM 158 CA SER A 11 -8.973 6.679 -8.467 1.00 0.00 C ATOM 159 C SER A 11 -7.727 6.030 -9.091 1.00 0.00 C ATOM 160 O SER A 11 -6.778 5.697 -8.380 1.00 0.00 O ATOM 161 CB SER A 11 -9.226 8.062 -9.069 1.00 0.00 C ATOM 162 OG SER A 11 -8.287 9.009 -8.589 1.00 0.00 O ATOM 0 H SER A 11 -8.421 7.651 -6.691 1.00 0.00 H new ATOM 0 HA SER A 11 -9.818 6.029 -8.694 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.166 8.005 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.236 8.390 -8.822 1.00 0.00 H new ATOM 0 HG SER A 11 -8.470 9.884 -8.991 1.00 0.00 H new ATOM 168 N TYR A 12 -7.732 5.858 -10.415 1.00 0.00 N ATOM 169 CA TYR A 12 -6.644 5.173 -11.123 1.00 0.00 C ATOM 170 C TYR A 12 -5.309 5.909 -10.955 1.00 0.00 C ATOM 171 O TYR A 12 -4.304 5.304 -10.570 1.00 0.00 O ATOM 172 CB TYR A 12 -7.028 4.996 -12.609 1.00 0.00 C ATOM 173 CG TYR A 12 -5.977 5.418 -13.617 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.826 4.668 -13.818 1.00 0.00 C ATOM 175 CD2 TYR A 12 -6.147 6.570 -14.374 1.00 0.00 C ATOM 176 CE1 TYR A 12 -3.873 5.057 -14.740 1.00 0.00 C ATOM 177 CE2 TYR A 12 -5.201 6.963 -15.296 1.00 0.00 C ATOM 178 CZ TYR A 12 -4.066 6.205 -15.475 1.00 0.00 C ATOM 179 OH TYR A 12 -3.119 6.599 -16.391 1.00 0.00 O ATOM 0 H TYR A 12 -8.482 6.186 -11.023 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.502 4.185 -10.684 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.268 3.947 -12.780 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.937 5.566 -12.800 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.673 3.766 -13.244 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.036 7.168 -14.238 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.982 4.464 -14.883 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.350 7.862 -15.876 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.409 7.429 -16.825 1.00 0.00 H new ATOM 189 N GLU A 13 -5.313 7.210 -11.226 1.00 0.00 N ATOM 190 CA GLU A 13 -4.136 8.064 -11.041 1.00 0.00 C ATOM 191 C GLU A 13 -3.587 7.922 -9.628 1.00 0.00 C ATOM 192 O GLU A 13 -2.376 7.922 -9.401 1.00 0.00 O ATOM 193 CB GLU A 13 -4.542 9.523 -11.274 1.00 0.00 C ATOM 194 CG GLU A 13 -4.780 9.881 -12.736 1.00 0.00 C ATOM 195 CD GLU A 13 -3.497 10.033 -13.521 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.674 10.900 -13.164 1.00 0.00 O ATOM 197 OE2 GLU A 13 -3.300 9.289 -14.506 1.00 0.00 O ATOM 0 H GLU A 13 -6.131 7.706 -11.580 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.365 7.763 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.451 9.730 -10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.763 10.173 -10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.394 9.108 -13.199 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.345 10.811 -12.790 1.00 0.00 H new ATOM 204 N GLU A 14 -4.504 7.767 -8.697 1.00 0.00 N ATOM 205 CA GLU A 14 -4.192 7.739 -7.289 1.00 0.00 C ATOM 206 C GLU A 14 -3.616 6.391 -6.873 1.00 0.00 C ATOM 207 O GLU A 14 -2.605 6.332 -6.184 1.00 0.00 O ATOM 208 CB GLU A 14 -5.452 8.047 -6.524 1.00 0.00 C ATOM 209 CG GLU A 14 -5.872 9.499 -6.650 1.00 0.00 C ATOM 210 CD GLU A 14 -5.032 10.450 -5.828 1.00 0.00 C ATOM 211 OE1 GLU A 14 -5.282 10.563 -4.609 1.00 0.00 O ATOM 212 OE2 GLU A 14 -4.157 11.129 -6.406 1.00 0.00 O ATOM 0 H GLU A 14 -5.497 7.656 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.429 8.486 -7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.257 7.407 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.301 7.806 -5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.818 9.794 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.914 9.594 -6.346 1.00 0.00 H new ATOM 219 N LYS A 15 -4.273 5.313 -7.295 1.00 0.00 N ATOM 220 CA LYS A 15 -3.767 3.959 -7.056 1.00 0.00 C ATOM 221 C LYS A 15 -2.358 3.807 -7.623 1.00 0.00 C ATOM 222 O LYS A 15 -1.510 3.136 -7.036 1.00 0.00 O ATOM 223 CB LYS A 15 -4.679 2.906 -7.681 1.00 0.00 C ATOM 224 CG LYS A 15 -6.001 2.729 -6.975 1.00 0.00 C ATOM 225 CD LYS A 15 -7.046 2.227 -7.940 1.00 0.00 C ATOM 226 CE LYS A 15 -8.052 1.340 -7.243 1.00 0.00 C ATOM 227 NZ LYS A 15 -9.018 0.732 -8.194 1.00 0.00 N ATOM 0 H LYS A 15 -5.156 5.348 -7.804 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.745 3.805 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.869 3.177 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.156 1.950 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.889 2.025 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.320 3.677 -6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.559 3.073 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.565 1.672 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.527 0.550 -6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.595 1.924 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.667 0.106 -7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.563 1.483 -8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.501 0.181 -8.909 1.00 0.00 H new ATOM 241 N ARG A 16 -2.116 4.435 -8.773 1.00 0.00 N ATOM 242 CA ARG A 16 -0.787 4.447 -9.370 1.00 0.00 C ATOM 243 C ARG A 16 0.192 5.168 -8.457 1.00 0.00 C ATOM 244 O ARG A 16 1.234 4.619 -8.101 1.00 0.00 O ATOM 245 CB ARG A 16 -0.795 5.121 -10.738 1.00 0.00 C ATOM 246 CG ARG A 16 0.577 5.143 -11.374 1.00 0.00 C ATOM 247 CD ARG A 16 0.651 6.092 -12.542 1.00 0.00 C ATOM 248 NE ARG A 16 0.444 7.476 -12.127 1.00 0.00 N ATOM 249 CZ ARG A 16 -0.493 8.271 -12.628 1.00 0.00 C ATOM 250 NH1 ARG A 16 -1.265 7.849 -13.619 1.00 0.00 N ATOM 251 NH2 ARG A 16 -0.637 9.499 -12.152 1.00 0.00 N ATOM 0 H ARG A 16 -2.823 4.940 -9.307 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.475 3.411 -9.499 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.489 4.597 -11.395 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.162 6.142 -10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.317 5.431 -10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.836 4.138 -11.708 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.623 5.999 -13.026 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.101 5.818 -13.282 1.00 0.00 H new ATOM 0 HE ARG A 16 1.058 7.856 -11.407 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.140 6.911 -13.999 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.984 8.463 -14.002 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.029 9.830 -11.403 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.356 10.113 -12.534 1.00 0.00 H new ATOM 265 N GLN A 17 -0.157 6.394 -8.074 1.00 0.00 N ATOM 266 CA GLN A 17 0.668 7.185 -7.170 1.00 0.00 C ATOM 267 C GLN A 17 0.913 6.423 -5.874 1.00 0.00 C ATOM 268 O GLN A 17 2.005 6.458 -5.314 1.00 0.00 O ATOM 269 CB GLN A 17 -0.004 8.526 -6.878 1.00 0.00 C ATOM 270 CG GLN A 17 0.876 9.483 -6.095 1.00 0.00 C ATOM 271 CD GLN A 17 2.063 9.990 -6.893 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.588 9.301 -7.768 1.00 0.00 O ATOM 273 NE2 GLN A 17 2.495 11.203 -6.599 1.00 0.00 N ATOM 0 H GLN A 17 -1.011 6.861 -8.379 1.00 0.00 H new ATOM 0 HA GLN A 17 1.629 7.373 -7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.289 8.994 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.923 8.349 -6.319 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.277 10.333 -5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.237 8.982 -5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.035 11.745 -5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.289 11.598 -7.103 1.00 0.00 H new ATOM 282 N LEU A 18 -0.117 5.718 -5.436 1.00 0.00 N ATOM 283 CA LEU A 18 -0.068 4.881 -4.244 1.00 0.00 C ATOM 284 C LEU A 18 0.982 3.786 -4.408 1.00 0.00 C ATOM 285 O LEU A 18 1.842 3.590 -3.559 1.00 0.00 O ATOM 286 CB LEU A 18 -1.444 4.251 -4.039 1.00 0.00 C ATOM 287 CG LEU A 18 -1.858 3.896 -2.615 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.142 3.109 -2.664 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.792 3.111 -1.879 1.00 0.00 C ATOM 0 H LEU A 18 -1.024 5.709 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 18 0.201 5.488 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.189 4.935 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.488 3.341 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.000 4.825 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.448 2.849 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.920 3.710 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.988 2.197 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.138 2.884 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.592 2.181 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.122 3.702 -1.825 1.00 0.00 H new ATOM 301 N SER A 19 0.913 3.074 -5.511 1.00 0.00 N ATOM 302 CA SER A 19 1.848 1.994 -5.764 1.00 0.00 C ATOM 303 C SER A 19 3.278 2.536 -5.838 1.00 0.00 C ATOM 304 O SER A 19 4.251 1.828 -5.561 1.00 0.00 O ATOM 305 CB SER A 19 1.450 1.268 -7.050 1.00 0.00 C ATOM 306 OG SER A 19 1.947 1.920 -8.208 1.00 0.00 O ATOM 0 H SER A 19 0.222 3.221 -6.247 1.00 0.00 H new ATOM 0 HA SER A 19 1.814 1.278 -4.943 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.827 0.246 -7.020 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.363 1.205 -7.108 1.00 0.00 H new ATOM 0 HG SER A 19 1.701 2.868 -8.181 1.00 0.00 H new ATOM 312 N LEU A 20 3.383 3.815 -6.167 1.00 0.00 N ATOM 313 CA LEU A 20 4.663 4.485 -6.283 1.00 0.00 C ATOM 314 C LEU A 20 5.145 4.988 -4.916 1.00 0.00 C ATOM 315 O LEU A 20 6.343 4.979 -4.633 1.00 0.00 O ATOM 316 CB LEU A 20 4.547 5.624 -7.291 1.00 0.00 C ATOM 317 CG LEU A 20 4.195 5.183 -8.707 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.263 6.359 -9.651 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.112 4.065 -9.166 1.00 0.00 C ATOM 0 H LEU A 20 2.581 4.415 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 20 5.409 3.776 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.788 6.324 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.492 6.166 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 20 3.175 4.799 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.010 6.031 -10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.557 7.125 -9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.272 6.771 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.843 3.766 -10.179 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.145 4.413 -9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.008 3.211 -8.496 1.00 0.00 H new ATOM 331 N ASP A 21 4.207 5.408 -4.066 1.00 0.00 N ATOM 332 CA ASP A 21 4.536 5.840 -2.704 1.00 0.00 C ATOM 333 C ASP A 21 4.820 4.636 -1.805 1.00 0.00 C ATOM 334 O ASP A 21 5.664 4.703 -0.909 1.00 0.00 O ATOM 335 CB ASP A 21 3.453 6.766 -2.127 1.00 0.00 C ATOM 336 CG ASP A 21 2.070 6.159 -1.977 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.935 5.087 -1.369 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.100 6.807 -2.432 1.00 0.00 O ATOM 0 H ASP A 21 3.214 5.459 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 21 5.451 6.431 -2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.784 7.113 -1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.375 7.645 -2.768 1.00 0.00 H new ATOM 343 N ILE A 22 4.155 3.524 -2.074 1.00 0.00 N ATOM 344 CA ILE A 22 4.472 2.269 -1.417 1.00 0.00 C ATOM 345 C ILE A 22 5.882 1.828 -1.771 1.00 0.00 C ATOM 346 O ILE A 22 6.615 1.301 -0.934 1.00 0.00 O ATOM 347 CB ILE A 22 3.454 1.182 -1.816 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.291 1.186 -0.828 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.096 -0.196 -1.912 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.129 0.318 -1.252 1.00 0.00 C ATOM 0 H ILE A 22 3.390 3.466 -2.746 1.00 0.00 H new ATOM 0 HA ILE A 22 4.416 2.418 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 22 3.077 1.415 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.650 0.847 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.940 2.210 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.342 -0.930 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.885 -0.178 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.521 -0.467 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.341 0.372 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.742 0.670 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.464 -0.714 -1.353 1.00 0.00 H new ATOM 362 N ASN A 23 6.264 2.071 -3.017 1.00 0.00 N ATOM 363 CA ASN A 23 7.585 1.705 -3.493 1.00 0.00 C ATOM 364 C ASN A 23 8.655 2.554 -2.806 1.00 0.00 C ATOM 365 O ASN A 23 9.825 2.177 -2.743 1.00 0.00 O ATOM 366 CB ASN A 23 7.646 1.892 -5.009 1.00 0.00 C ATOM 367 CG ASN A 23 8.934 1.379 -5.622 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.039 0.198 -5.962 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.908 2.257 -5.800 1.00 0.00 N ATOM 0 H ASN A 23 5.674 2.522 -3.716 1.00 0.00 H new ATOM 0 HA ASN A 23 7.777 0.659 -3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.802 1.375 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.536 2.951 -5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.785 1.966 -6.232 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.782 3.225 -5.505 1.00 0.00 H new ATOM 376 N LYS A 24 8.235 3.701 -2.286 1.00 0.00 N ATOM 377 CA LYS A 24 9.128 4.615 -1.588 1.00 0.00 C ATOM 378 C LYS A 24 9.435 4.129 -0.174 1.00 0.00 C ATOM 379 O LYS A 24 10.419 4.553 0.436 1.00 0.00 O ATOM 380 CB LYS A 24 8.499 6.003 -1.530 1.00 0.00 C ATOM 381 CG LYS A 24 8.682 6.826 -2.793 1.00 0.00 C ATOM 382 CD LYS A 24 7.875 8.113 -2.733 1.00 0.00 C ATOM 383 CE LYS A 24 8.285 9.099 -3.819 1.00 0.00 C ATOM 384 NZ LYS A 24 9.681 9.577 -3.641 1.00 0.00 N ATOM 0 H LYS A 24 7.268 4.022 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 24 10.067 4.656 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.433 5.898 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.928 6.549 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.738 7.062 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.374 6.241 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.815 7.881 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.006 8.577 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.186 8.624 -4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.606 9.952 -3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.818 10.457 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.861 9.755 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.343 8.853 -3.988 1.00 0.00 H new ATOM 398 N LEU A 25 8.589 3.252 0.345 1.00 0.00 N ATOM 399 CA LEU A 25 8.762 2.733 1.696 1.00 0.00 C ATOM 400 C LEU A 25 9.954 1.784 1.800 1.00 0.00 C ATOM 401 O LEU A 25 10.178 0.952 0.919 1.00 0.00 O ATOM 402 CB LEU A 25 7.501 2.009 2.162 1.00 0.00 C ATOM 403 CG LEU A 25 6.286 2.897 2.396 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.267 2.141 3.210 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.682 4.166 3.116 1.00 0.00 C ATOM 0 H LEU A 25 7.775 2.884 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 25 8.953 3.592 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.241 1.254 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.727 1.481 3.088 1.00 0.00 H new ATOM 0 HG LEU A 25 5.857 3.171 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.395 2.773 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.965 1.243 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.703 1.859 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.799 4.786 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.125 3.914 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.408 4.714 2.515 1.00 0.00 H new ATOM 417 N PRO A 26 10.750 1.916 2.879 1.00 0.00 N ATOM 418 CA PRO A 26 11.801 0.950 3.199 1.00 0.00 C ATOM 419 C PRO A 26 11.203 -0.386 3.638 1.00 0.00 C ATOM 420 O PRO A 26 10.034 -0.448 4.023 1.00 0.00 O ATOM 421 CB PRO A 26 12.577 1.605 4.347 1.00 0.00 C ATOM 422 CG PRO A 26 11.640 2.601 4.945 1.00 0.00 C ATOM 423 CD PRO A 26 10.697 3.027 3.849 1.00 0.00 C ATOM 0 HA PRO A 26 12.434 0.726 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.886 0.864 5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.483 2.089 3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.091 2.163 5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.187 3.458 5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.686 3.177 4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.011 3.967 3.396 1.00 0.00 H new ATOM 431 N GLY A 27 12.017 -1.436 3.604 1.00 0.00 N ATOM 432 CA GLY A 27 11.532 -2.798 3.807 1.00 0.00 C ATOM 433 C GLY A 27 10.686 -2.988 5.054 1.00 0.00 C ATOM 434 O GLY A 27 9.549 -3.445 4.973 1.00 0.00 O ATOM 0 H GLY A 27 13.021 -1.370 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.946 -3.094 2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.388 -3.471 3.859 1.00 0.00 H new ATOM 438 N GLU A 28 11.223 -2.625 6.204 1.00 0.00 N ATOM 439 CA GLU A 28 10.546 -2.878 7.471 1.00 0.00 C ATOM 440 C GLU A 28 9.259 -2.066 7.586 1.00 0.00 C ATOM 441 O GLU A 28 8.253 -2.528 8.127 1.00 0.00 O ATOM 442 CB GLU A 28 11.514 -2.611 8.620 1.00 0.00 C ATOM 443 CG GLU A 28 11.969 -1.181 8.783 1.00 0.00 C ATOM 444 CD GLU A 28 11.290 -0.467 9.937 1.00 0.00 C ATOM 445 OE1 GLU A 28 10.091 -0.713 10.182 1.00 0.00 O ATOM 446 OE2 GLU A 28 11.965 0.331 10.622 1.00 0.00 O ATOM 0 H GLU A 28 12.124 -2.155 6.291 1.00 0.00 H new ATOM 0 HA GLU A 28 10.243 -3.924 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.041 -2.929 9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.395 -3.238 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.048 -1.165 8.938 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.772 -0.636 7.860 1.00 0.00 H new ATOM 453 N LYS A 29 9.283 -0.880 7.014 1.00 0.00 N ATOM 454 CA LYS A 29 8.099 -0.019 6.991 1.00 0.00 C ATOM 455 C LYS A 29 7.069 -0.558 6.000 1.00 0.00 C ATOM 456 O LYS A 29 5.867 -0.354 6.156 1.00 0.00 O ATOM 457 CB LYS A 29 8.467 1.408 6.569 1.00 0.00 C ATOM 458 CG LYS A 29 8.614 2.418 7.705 1.00 0.00 C ATOM 459 CD LYS A 29 9.685 2.028 8.694 1.00 0.00 C ATOM 460 CE LYS A 29 10.499 3.234 9.136 1.00 0.00 C ATOM 461 NZ LYS A 29 9.658 4.282 9.773 1.00 0.00 N ATOM 0 H LYS A 29 10.104 -0.483 6.557 1.00 0.00 H new ATOM 0 HA LYS A 29 7.684 -0.008 7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.405 1.373 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.704 1.772 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.849 3.397 7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.661 2.514 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.225 1.559 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.345 1.287 8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.268 2.912 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.012 3.658 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.269 5.028 10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.019 4.693 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.097 3.859 10.540 1.00 0.00 H new ATOM 475 N LEU A 30 7.534 -1.270 4.992 1.00 0.00 N ATOM 476 CA LEU A 30 6.633 -1.776 3.970 1.00 0.00 C ATOM 477 C LEU A 30 5.997 -3.095 4.394 1.00 0.00 C ATOM 478 O LEU A 30 5.003 -3.525 3.815 1.00 0.00 O ATOM 479 CB LEU A 30 7.341 -1.835 2.602 1.00 0.00 C ATOM 480 CG LEU A 30 7.282 -3.135 1.792 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.861 -2.865 0.424 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.066 -4.260 2.455 1.00 0.00 C ATOM 0 H LEU A 30 8.516 -1.510 4.857 1.00 0.00 H new ATOM 0 HA LEU A 30 5.803 -1.080 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.925 -1.041 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.392 -1.595 2.764 1.00 0.00 H new ATOM 0 HG LEU A 30 6.242 -3.455 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.829 -3.778 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.278 -2.089 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.894 -2.534 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.996 -5.161 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.112 -3.967 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.653 -4.458 3.444 1.00 0.00 H new ATOM 494 N GLY A 31 6.539 -3.718 5.429 1.00 0.00 N ATOM 495 CA GLY A 31 5.880 -4.877 6.001 1.00 0.00 C ATOM 496 C GLY A 31 4.555 -4.493 6.634 1.00 0.00 C ATOM 497 O GLY A 31 3.702 -5.344 6.881 1.00 0.00 O ATOM 0 H GLY A 31 7.413 -3.448 5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.713 -5.624 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.526 -5.334 6.751 1.00 0.00 H new ATOM 501 N ARG A 32 4.381 -3.198 6.905 1.00 0.00 N ATOM 502 CA ARG A 32 3.109 -2.700 7.406 1.00 0.00 C ATOM 503 C ARG A 32 2.050 -2.695 6.315 1.00 0.00 C ATOM 504 O ARG A 32 0.919 -3.081 6.568 1.00 0.00 O ATOM 505 CB ARG A 32 3.231 -1.302 7.996 1.00 0.00 C ATOM 506 CG ARG A 32 1.904 -0.729 8.461 1.00 0.00 C ATOM 507 CD ARG A 32 2.025 -0.096 9.832 1.00 0.00 C ATOM 508 NE ARG A 32 2.185 -1.088 10.891 1.00 0.00 N ATOM 509 CZ ARG A 32 1.924 -0.852 12.175 1.00 0.00 C ATOM 510 NH1 ARG A 32 1.482 0.341 12.560 1.00 0.00 N ATOM 511 NH2 ARG A 32 2.107 -1.810 13.073 1.00 0.00 N ATOM 0 H ARG A 32 5.100 -2.485 6.786 1.00 0.00 H new ATOM 0 HA ARG A 32 2.805 -3.382 8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.922 -1.330 8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.665 -0.637 7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.556 0.015 7.744 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.154 -1.520 8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.878 0.583 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.137 0.505 10.032 1.00 0.00 H new ATOM 0 HE ARG A 32 2.516 -2.017 10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.342 1.080 11.871 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.283 0.518 13.545 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.447 -2.726 12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.908 -1.631 14.057 1.00 0.00 H new ATOM 525 N VAL A 33 2.402 -2.254 5.105 1.00 0.00 N ATOM 526 CA VAL A 33 1.428 -2.254 4.011 1.00 0.00 C ATOM 527 C VAL A 33 0.937 -3.669 3.751 1.00 0.00 C ATOM 528 O VAL A 33 -0.262 -3.903 3.667 1.00 0.00 O ATOM 529 CB VAL A 33 1.956 -1.637 2.693 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.242 -0.335 2.409 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.445 -1.380 2.724 1.00 0.00 C ATOM 0 H VAL A 33 3.328 -1.901 4.861 1.00 0.00 H new ATOM 0 HA VAL A 33 0.609 -1.616 4.341 1.00 0.00 H new ATOM 0 HB VAL A 33 1.758 -2.365 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.620 0.092 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.172 -0.520 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.419 0.363 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.759 -0.947 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.678 -0.688 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.973 -2.319 2.887 1.00 0.00 H new ATOM 541 N VAL A 34 1.874 -4.605 3.650 1.00 0.00 N ATOM 542 CA VAL A 34 1.539 -6.034 3.568 1.00 0.00 C ATOM 543 C VAL A 34 0.585 -6.427 4.705 1.00 0.00 C ATOM 544 O VAL A 34 -0.370 -7.161 4.487 1.00 0.00 O ATOM 545 CB VAL A 34 2.810 -6.951 3.605 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.062 -6.190 3.217 1.00 0.00 C ATOM 547 CG2 VAL A 34 3.000 -7.636 4.951 1.00 0.00 C ATOM 0 H VAL A 34 2.874 -4.406 3.622 1.00 0.00 H new ATOM 0 HA VAL A 34 1.050 -6.188 2.606 1.00 0.00 H new ATOM 0 HB VAL A 34 2.638 -7.732 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.921 -6.860 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.951 -5.799 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.215 -5.364 3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.895 -8.258 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.109 -6.882 5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.132 -8.259 5.168 1.00 0.00 H new ATOM 557 N HIS A 35 0.836 -5.906 5.906 1.00 0.00 N ATOM 558 CA HIS A 35 0.021 -6.229 7.071 1.00 0.00 C ATOM 559 C HIS A 35 -1.364 -5.604 6.950 1.00 0.00 C ATOM 560 O HIS A 35 -2.368 -6.274 7.166 1.00 0.00 O ATOM 561 CB HIS A 35 0.716 -5.763 8.358 1.00 0.00 C ATOM 562 CG HIS A 35 -0.079 -5.997 9.611 1.00 0.00 C ATOM 563 ND1 HIS A 35 -0.134 -7.213 10.255 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.856 -5.156 10.335 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.907 -7.110 11.320 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.358 -5.871 11.392 1.00 0.00 N ATOM 0 H HIS A 35 1.600 -5.257 6.095 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.098 -7.311 7.117 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.672 -6.278 8.447 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.934 -4.698 8.274 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.045 -4.115 10.120 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.133 -7.905 12.015 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.978 -5.506 12.115 1.00 0.00 H new ATOM 575 N ILE A 36 -1.409 -4.320 6.606 1.00 0.00 N ATOM 576 CA ILE A 36 -2.673 -3.617 6.415 1.00 0.00 C ATOM 577 C ILE A 36 -3.494 -4.314 5.346 1.00 0.00 C ATOM 578 O ILE A 36 -4.688 -4.548 5.507 1.00 0.00 O ATOM 579 CB ILE A 36 -2.444 -2.154 5.982 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.644 -1.417 7.054 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.783 -1.469 5.730 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.108 -0.077 6.615 1.00 0.00 C ATOM 0 H ILE A 36 -0.581 -3.744 6.453 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.202 -3.625 7.368 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.873 -2.135 5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.278 -1.273 7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.809 -2.045 7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.612 -0.437 5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.319 -1.997 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.377 -1.483 6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.553 0.379 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.446 -0.212 5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.937 0.572 6.333 1.00 0.00 H new ATOM 594 N ILE A 37 -2.822 -4.650 4.270 1.00 0.00 N ATOM 595 CA ILE A 37 -3.431 -5.326 3.152 1.00 0.00 C ATOM 596 C ILE A 37 -3.914 -6.724 3.544 1.00 0.00 C ATOM 597 O ILE A 37 -5.099 -6.980 3.517 1.00 0.00 O ATOM 598 CB ILE A 37 -2.438 -5.369 1.984 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.344 -3.990 1.347 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.829 -6.411 0.963 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.076 -3.777 0.577 1.00 0.00 C ATOM 0 H ILE A 37 -1.828 -4.459 4.146 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.315 -4.772 2.835 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.459 -5.652 2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.194 -3.847 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.419 -3.232 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.103 -6.414 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.849 -7.393 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.817 -6.179 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.074 -2.774 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.222 -3.888 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.009 -4.513 -0.224 1.00 0.00 H new ATOM 613 N GLN A 38 -3.004 -7.610 3.941 1.00 0.00 N ATOM 614 CA GLN A 38 -3.372 -8.973 4.372 1.00 0.00 C ATOM 615 C GLN A 38 -4.504 -8.977 5.413 1.00 0.00 C ATOM 616 O GLN A 38 -5.329 -9.891 5.431 1.00 0.00 O ATOM 617 CB GLN A 38 -2.173 -9.699 4.985 1.00 0.00 C ATOM 618 CG GLN A 38 -1.098 -10.124 4.002 1.00 0.00 C ATOM 619 CD GLN A 38 0.015 -10.903 4.696 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.064 -10.339 5.008 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.228 -12.170 5.047 1.00 0.00 N ATOM 0 H GLN A 38 -2.003 -7.416 3.976 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.712 -9.484 3.472 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.720 -9.049 5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.534 -10.585 5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.541 -10.740 3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.679 -9.243 3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.105 -12.615 4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.464 -12.692 5.586 1.00 0.00 H new ATOM 630 N SER A 39 -4.523 -7.983 6.298 1.00 0.00 N ATOM 631 CA SER A 39 -5.527 -7.929 7.359 1.00 0.00 C ATOM 632 C SER A 39 -6.870 -7.439 6.822 1.00 0.00 C ATOM 633 O SER A 39 -7.911 -8.062 7.054 1.00 0.00 O ATOM 634 CB SER A 39 -5.052 -7.026 8.505 1.00 0.00 C ATOM 635 OG SER A 39 -4.783 -5.709 8.055 1.00 0.00 O ATOM 0 H SER A 39 -3.859 -7.208 6.302 1.00 0.00 H new ATOM 0 HA SER A 39 -5.663 -8.940 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.813 -6.996 9.285 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.153 -7.449 8.953 1.00 0.00 H new ATOM 0 HG SER A 39 -3.892 -5.678 7.649 1.00 0.00 H new ATOM 641 N ARG A 40 -6.840 -6.327 6.097 1.00 0.00 N ATOM 642 CA ARG A 40 -8.050 -5.741 5.531 1.00 0.00 C ATOM 643 C ARG A 40 -8.514 -6.530 4.316 1.00 0.00 C ATOM 644 O ARG A 40 -9.656 -6.410 3.881 1.00 0.00 O ATOM 645 CB ARG A 40 -7.808 -4.265 5.190 1.00 0.00 C ATOM 646 CG ARG A 40 -7.621 -3.436 6.433 1.00 0.00 C ATOM 647 CD ARG A 40 -7.286 -1.993 6.136 1.00 0.00 C ATOM 648 NE ARG A 40 -6.807 -1.321 7.348 1.00 0.00 N ATOM 649 CZ ARG A 40 -6.946 -0.024 7.610 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.579 0.776 6.761 1.00 0.00 N ATOM 651 NH2 ARG A 40 -6.458 0.470 8.740 1.00 0.00 N ATOM 0 H ARG A 40 -5.986 -5.810 5.886 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.848 -5.790 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.926 -4.177 4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.652 -3.879 4.618 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.532 -3.476 7.030 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.825 -3.871 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.524 -1.942 5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.168 -1.480 5.752 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.330 -1.893 8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.966 0.398 5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.679 1.769 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.980 -0.143 9.400 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.560 1.463 8.949 1.00 0.00 H new ATOM 665 N GLU A 41 -7.621 -7.343 3.790 1.00 0.00 N ATOM 666 CA GLU A 41 -7.924 -8.229 2.683 1.00 0.00 C ATOM 667 C GLU A 41 -7.620 -9.667 3.083 1.00 0.00 C ATOM 668 O GLU A 41 -6.579 -10.210 2.705 1.00 0.00 O ATOM 669 CB GLU A 41 -7.067 -7.878 1.473 1.00 0.00 C ATOM 670 CG GLU A 41 -6.969 -6.397 1.176 1.00 0.00 C ATOM 671 CD GLU A 41 -8.245 -5.808 0.595 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.956 -6.524 -0.137 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.547 -4.623 0.879 1.00 0.00 O ATOM 0 H GLU A 41 -6.658 -7.409 4.120 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.979 -8.118 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.062 -8.271 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.474 -8.384 0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.719 -5.866 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.150 -6.228 0.477 1.00 0.00 H new ATOM 680 N PRO A 42 -8.508 -10.326 3.842 1.00 0.00 N ATOM 681 CA PRO A 42 -8.266 -11.698 4.270 1.00 0.00 C ATOM 682 C PRO A 42 -8.363 -12.672 3.100 1.00 0.00 C ATOM 683 O PRO A 42 -8.162 -13.876 3.249 1.00 0.00 O ATOM 684 CB PRO A 42 -9.355 -11.991 5.305 1.00 0.00 C ATOM 685 CG PRO A 42 -10.331 -10.852 5.255 1.00 0.00 C ATOM 686 CD PRO A 42 -9.796 -9.796 4.316 1.00 0.00 C ATOM 0 HA PRO A 42 -7.263 -11.817 4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.853 -12.935 5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.924 -12.085 6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.304 -11.203 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.475 -10.434 6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.481 -9.622 3.486 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.666 -8.842 4.827 1.00 0.00 H new ATOM 694 N SER A 43 -8.673 -12.128 1.935 1.00 0.00 N ATOM 695 CA SER A 43 -8.714 -12.887 0.703 1.00 0.00 C ATOM 696 C SER A 43 -7.301 -13.148 0.179 1.00 0.00 C ATOM 697 O SER A 43 -7.099 -13.997 -0.688 1.00 0.00 O ATOM 698 CB SER A 43 -9.538 -12.115 -0.323 1.00 0.00 C ATOM 699 OG SER A 43 -9.341 -10.719 -0.162 1.00 0.00 O ATOM 0 H SER A 43 -8.904 -11.141 1.820 1.00 0.00 H new ATOM 0 HA SER A 43 -9.178 -13.856 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.251 -12.416 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.595 -12.356 -0.207 1.00 0.00 H new ATOM 0 HG SER A 43 -9.874 -10.235 -0.827 1.00 0.00 H new ATOM 705 N LEU A 44 -6.323 -12.416 0.710 1.00 0.00 N ATOM 706 CA LEU A 44 -4.933 -12.617 0.329 1.00 0.00 C ATOM 707 C LEU A 44 -4.082 -12.950 1.549 1.00 0.00 C ATOM 708 O LEU A 44 -2.871 -12.732 1.562 1.00 0.00 O ATOM 709 CB LEU A 44 -4.397 -11.386 -0.419 1.00 0.00 C ATOM 710 CG LEU A 44 -4.484 -10.047 0.293 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.179 -9.733 0.992 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.833 -8.960 -0.710 1.00 0.00 C ATOM 0 H LEU A 44 -6.470 -11.682 1.403 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.876 -13.468 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.351 -11.570 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.937 -11.303 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.267 -10.094 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.259 -8.770 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.963 -10.510 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.374 -9.692 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.895 -7.999 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.061 -8.913 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.793 -9.187 -1.173 1.00 0.00 H new ATOM 724 N LYS A 45 -4.724 -13.512 2.566 1.00 0.00 N ATOM 725 CA LYS A 45 -4.035 -13.898 3.795 1.00 0.00 C ATOM 726 C LYS A 45 -3.042 -15.028 3.534 1.00 0.00 C ATOM 727 O LYS A 45 -2.076 -15.198 4.276 1.00 0.00 O ATOM 728 CB LYS A 45 -5.038 -14.339 4.863 1.00 0.00 C ATOM 729 CG LYS A 45 -5.861 -15.556 4.470 1.00 0.00 C ATOM 730 CD LYS A 45 -6.651 -16.085 5.642 1.00 0.00 C ATOM 731 CE LYS A 45 -5.822 -17.100 6.396 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.292 -17.295 7.792 1.00 0.00 N ATOM 0 H LYS A 45 -5.724 -13.712 2.565 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.490 -13.025 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.499 -14.559 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.713 -13.510 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.541 -15.292 3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.202 -16.337 4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.931 -15.266 6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.576 -16.543 5.293 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.854 -18.054 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.781 -16.777 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.691 -18.000 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.238 -16.392 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.277 -17.630 7.783 1.00 0.00 H new ATOM 746 N ASN A 46 -3.293 -15.797 2.479 1.00 0.00 N ATOM 747 CA ASN A 46 -2.426 -16.912 2.107 1.00 0.00 C ATOM 748 C ASN A 46 -1.075 -16.397 1.619 1.00 0.00 C ATOM 749 O ASN A 46 -0.066 -17.102 1.678 1.00 0.00 O ATOM 750 CB ASN A 46 -3.101 -17.746 1.016 1.00 0.00 C ATOM 751 CG ASN A 46 -2.325 -18.995 0.648 1.00 0.00 C ATOM 752 OD1 ASN A 46 -1.652 -19.595 1.486 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.417 -19.397 -0.609 1.00 0.00 N ATOM 0 H ASN A 46 -4.095 -15.668 1.862 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.258 -17.538 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.098 -18.032 1.352 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.229 -17.131 0.125 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.919 -20.233 -0.915 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.986 -18.871 -1.272 1.00 0.00 H new ATOM 760 N SER A 47 -1.071 -15.159 1.146 1.00 0.00 N ATOM 761 CA SER A 47 0.143 -14.519 0.662 1.00 0.00 C ATOM 762 C SER A 47 1.143 -14.325 1.802 1.00 0.00 C ATOM 763 O SER A 47 0.760 -14.153 2.962 1.00 0.00 O ATOM 764 CB SER A 47 -0.204 -13.177 0.015 1.00 0.00 C ATOM 765 OG SER A 47 -1.055 -13.356 -1.110 1.00 0.00 O ATOM 0 H SER A 47 -1.904 -14.573 1.087 1.00 0.00 H new ATOM 0 HA SER A 47 0.607 -15.163 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.693 -12.533 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.711 -12.671 -0.294 1.00 0.00 H new ATOM 0 HG SER A 47 -1.263 -12.484 -1.505 1.00 0.00 H new ATOM 771 N ASN A 48 2.423 -14.366 1.463 1.00 0.00 N ATOM 772 CA ASN A 48 3.486 -14.239 2.452 1.00 0.00 C ATOM 773 C ASN A 48 3.802 -12.771 2.693 1.00 0.00 C ATOM 774 O ASN A 48 3.869 -11.984 1.755 1.00 0.00 O ATOM 775 CB ASN A 48 4.753 -14.950 1.971 1.00 0.00 C ATOM 776 CG ASN A 48 4.539 -16.426 1.675 1.00 0.00 C ATOM 777 OD1 ASN A 48 3.697 -17.082 2.455 1.00 0.00 O flip ATOM 778 ND2 ASN A 48 5.144 -16.974 0.755 1.00 0.00 N flip ATOM 0 H ASN A 48 2.753 -14.487 0.505 1.00 0.00 H new ATOM 0 HA ASN A 48 3.145 -14.699 3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.119 -14.456 1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.529 -14.847 2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.786 -16.435 0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.004 -17.968 0.573 1.00 0.00 H new ATOM 785 N PRO A 49 4.013 -12.394 3.963 1.00 0.00 N ATOM 786 CA PRO A 49 4.303 -11.005 4.348 1.00 0.00 C ATOM 787 C PRO A 49 5.631 -10.496 3.794 1.00 0.00 C ATOM 788 O PRO A 49 5.858 -9.290 3.709 1.00 0.00 O ATOM 789 CB PRO A 49 4.356 -11.056 5.876 1.00 0.00 C ATOM 790 CG PRO A 49 4.620 -12.480 6.212 1.00 0.00 C ATOM 791 CD PRO A 49 3.966 -13.289 5.131 1.00 0.00 C ATOM 0 HA PRO A 49 3.553 -10.321 3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.142 -10.408 6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.417 -10.716 6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.691 -12.679 6.254 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.210 -12.732 7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.501 -14.220 4.946 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.942 -13.556 5.392 1.00 0.00 H new ATOM 799 N ASP A 50 6.511 -11.420 3.434 1.00 0.00 N ATOM 800 CA ASP A 50 7.802 -11.064 2.851 1.00 0.00 C ATOM 801 C ASP A 50 7.696 -10.955 1.341 1.00 0.00 C ATOM 802 O ASP A 50 8.616 -10.474 0.678 1.00 0.00 O ATOM 803 CB ASP A 50 8.866 -12.119 3.178 1.00 0.00 C ATOM 804 CG ASP A 50 9.180 -12.224 4.652 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.948 -11.384 5.164 1.00 0.00 O ATOM 806 OD2 ASP A 50 8.677 -13.165 5.302 1.00 0.00 O ATOM 0 H ASP A 50 6.356 -12.423 3.535 1.00 0.00 H new ATOM 0 HA ASP A 50 8.092 -10.104 3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.526 -13.090 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.781 -11.880 2.636 1.00 0.00 H new ATOM 811 N GLU A 51 6.569 -11.402 0.800 1.00 0.00 N ATOM 812 CA GLU A 51 6.429 -11.567 -0.638 1.00 0.00 C ATOM 813 C GLU A 51 5.054 -11.107 -1.080 1.00 0.00 C ATOM 814 O GLU A 51 4.494 -11.624 -2.051 1.00 0.00 O ATOM 815 CB GLU A 51 6.633 -13.034 -1.032 1.00 0.00 C ATOM 816 CG GLU A 51 7.946 -13.624 -0.548 1.00 0.00 C ATOM 817 CD GLU A 51 8.133 -15.062 -0.972 1.00 0.00 C ATOM 818 OE1 GLU A 51 8.610 -15.293 -2.101 1.00 0.00 O ATOM 819 OE2 GLU A 51 7.814 -15.968 -0.176 1.00 0.00 O ATOM 0 H GLU A 51 5.740 -11.656 1.337 1.00 0.00 H new ATOM 0 HA GLU A 51 7.189 -10.961 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.810 -13.626 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.586 -13.118 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.772 -13.026 -0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.988 -13.562 0.539 1.00 0.00 H new ATOM 826 N ILE A 52 4.502 -10.157 -0.343 1.00 0.00 N ATOM 827 CA ILE A 52 3.139 -9.728 -0.565 1.00 0.00 C ATOM 828 C ILE A 52 2.964 -9.139 -1.955 1.00 0.00 C ATOM 829 O ILE A 52 3.889 -8.578 -2.546 1.00 0.00 O ATOM 830 CB ILE A 52 2.669 -8.724 0.513 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.163 -8.842 0.736 1.00 0.00 C ATOM 832 CG2 ILE A 52 3.006 -7.303 0.115 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.721 -10.212 1.150 1.00 0.00 C ATOM 0 H ILE A 52 4.981 -9.670 0.414 1.00 0.00 H new ATOM 0 HA ILE A 52 2.511 -10.616 -0.488 1.00 0.00 H new ATOM 0 HB ILE A 52 3.192 -8.965 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.861 -8.126 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.646 -8.565 -0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.665 -6.617 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.085 -7.205 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.512 -7.062 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.360 -10.219 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.991 -10.931 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.209 -10.485 2.085 1.00 0.00 H new ATOM 845 N GLU A 53 1.773 -9.304 -2.468 1.00 0.00 N ATOM 846 CA GLU A 53 1.423 -8.789 -3.772 1.00 0.00 C ATOM 847 C GLU A 53 0.314 -7.764 -3.548 1.00 0.00 C ATOM 848 O GLU A 53 -0.862 -8.124 -3.471 1.00 0.00 O ATOM 849 CB GLU A 53 0.953 -9.983 -4.652 1.00 0.00 C ATOM 850 CG GLU A 53 0.665 -9.698 -6.127 1.00 0.00 C ATOM 851 CD GLU A 53 -0.432 -10.593 -6.657 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.131 -11.748 -7.032 1.00 0.00 O ATOM 853 OE2 GLU A 53 -1.597 -10.156 -6.702 1.00 0.00 O ATOM 0 H GLU A 53 1.016 -9.799 -1.996 1.00 0.00 H new ATOM 0 HA GLU A 53 2.257 -8.309 -4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.716 -10.760 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.048 -10.395 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.375 -8.654 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.573 -9.847 -6.712 1.00 0.00 H new ATOM 860 N ILE A 54 0.692 -6.490 -3.380 1.00 0.00 N ATOM 861 CA ILE A 54 -0.276 -5.432 -3.233 1.00 0.00 C ATOM 862 C ILE A 54 -1.062 -5.248 -4.527 1.00 0.00 C ATOM 863 O ILE A 54 -0.569 -4.653 -5.489 1.00 0.00 O ATOM 864 CB ILE A 54 0.424 -4.114 -2.875 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.337 -4.286 -1.658 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.597 -3.026 -2.629 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.949 -2.985 -1.188 1.00 0.00 C ATOM 0 H ILE A 54 1.664 -6.182 -3.345 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.961 -5.707 -2.431 1.00 0.00 H new ATOM 0 HB ILE A 54 1.048 -3.821 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.765 -4.728 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.134 -4.987 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.085 -2.097 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.195 -2.878 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.248 -3.318 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.585 -3.174 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.547 -2.553 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.157 -2.289 -0.911 1.00 0.00 H new ATOM 879 N ASP A 55 -2.274 -5.772 -4.550 1.00 0.00 N ATOM 880 CA ASP A 55 -3.131 -5.657 -5.723 1.00 0.00 C ATOM 881 C ASP A 55 -4.140 -4.543 -5.506 1.00 0.00 C ATOM 882 O ASP A 55 -5.151 -4.727 -4.831 1.00 0.00 O ATOM 883 CB ASP A 55 -3.852 -6.976 -6.010 1.00 0.00 C ATOM 884 CG ASP A 55 -4.696 -6.899 -7.265 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.861 -6.460 -7.174 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.201 -7.277 -8.346 1.00 0.00 O ATOM 0 H ASP A 55 -2.690 -6.282 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.509 -5.422 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.118 -7.775 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.486 -7.235 -5.162 1.00 0.00 H new ATOM 891 N PHE A 56 -3.864 -3.393 -6.094 1.00 0.00 N ATOM 892 CA PHE A 56 -4.623 -2.180 -5.819 1.00 0.00 C ATOM 893 C PHE A 56 -6.031 -2.223 -6.408 1.00 0.00 C ATOM 894 O PHE A 56 -6.852 -1.349 -6.129 1.00 0.00 O ATOM 895 CB PHE A 56 -3.861 -0.969 -6.342 1.00 0.00 C ATOM 896 CG PHE A 56 -2.523 -0.794 -5.683 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.431 -0.215 -4.432 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.361 -1.216 -6.303 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.225 -0.053 -3.811 1.00 0.00 C ATOM 900 CE2 PHE A 56 -0.140 -1.056 -5.682 1.00 0.00 C ATOM 901 CZ PHE A 56 -0.075 -0.470 -4.430 1.00 0.00 C ATOM 0 H PHE A 56 -3.112 -3.271 -6.772 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.740 -2.103 -4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.720 -1.071 -7.418 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.460 -0.072 -6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.331 0.116 -3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.410 -1.674 -7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.178 0.403 -2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.764 -1.387 -6.172 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.880 -0.341 -3.942 1.00 0.00 H new ATOM 911 N GLU A 57 -6.316 -3.239 -7.207 1.00 0.00 N ATOM 912 CA GLU A 57 -7.638 -3.392 -7.796 1.00 0.00 C ATOM 913 C GLU A 57 -8.567 -4.156 -6.866 1.00 0.00 C ATOM 914 O GLU A 57 -9.785 -3.992 -6.917 1.00 0.00 O ATOM 915 CB GLU A 57 -7.543 -4.102 -9.140 1.00 0.00 C ATOM 916 CG GLU A 57 -7.056 -3.207 -10.259 1.00 0.00 C ATOM 917 CD GLU A 57 -7.958 -2.006 -10.468 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.007 -2.153 -11.132 1.00 0.00 O ATOM 919 OE2 GLU A 57 -7.632 -0.909 -9.967 1.00 0.00 O ATOM 0 H GLU A 57 -5.651 -3.969 -7.463 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.053 -2.396 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.869 -4.953 -9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.523 -4.499 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.046 -2.865 -10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.000 -3.782 -11.183 1.00 0.00 H new ATOM 926 N THR A 58 -7.994 -5.001 -6.027 1.00 0.00 N ATOM 927 CA THR A 58 -8.776 -5.755 -5.067 1.00 0.00 C ATOM 928 C THR A 58 -8.765 -5.077 -3.700 1.00 0.00 C ATOM 929 O THR A 58 -9.702 -5.237 -2.914 1.00 0.00 O ATOM 930 CB THR A 58 -8.272 -7.206 -4.953 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.854 -7.225 -4.751 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.614 -7.990 -6.210 1.00 0.00 C ATOM 0 H THR A 58 -6.991 -5.181 -5.992 1.00 0.00 H new ATOM 0 HA THR A 58 -9.804 -5.781 -5.429 1.00 0.00 H new ATOM 0 HB THR A 58 -8.764 -7.671 -4.099 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.402 -6.977 -5.584 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.250 -9.013 -6.111 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.695 -8.001 -6.349 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.142 -7.519 -7.072 1.00 0.00 H new ATOM 940 N LEU A 59 -7.708 -4.308 -3.428 1.00 0.00 N ATOM 941 CA LEU A 59 -7.622 -3.525 -2.204 1.00 0.00 C ATOM 942 C LEU A 59 -8.775 -2.544 -2.125 1.00 0.00 C ATOM 943 O LEU A 59 -8.979 -1.731 -3.029 1.00 0.00 O ATOM 944 CB LEU A 59 -6.305 -2.776 -2.137 1.00 0.00 C ATOM 945 CG LEU A 59 -5.086 -3.672 -2.087 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.830 -2.853 -1.954 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.213 -4.661 -0.946 1.00 0.00 C ATOM 0 H LEU A 59 -6.900 -4.214 -4.044 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.677 -4.210 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.227 -2.122 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.308 -2.135 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.023 -4.230 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.965 -3.516 -1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.740 -2.183 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.874 -2.266 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.331 -5.301 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.298 -4.120 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.102 -5.275 -1.094 1.00 0.00 H new ATOM 959 N LYS A 60 -9.535 -2.642 -1.055 1.00 0.00 N ATOM 960 CA LYS A 60 -10.665 -1.760 -0.840 1.00 0.00 C ATOM 961 C LYS A 60 -10.190 -0.331 -0.593 1.00 0.00 C ATOM 962 O LYS A 60 -9.071 -0.139 -0.110 1.00 0.00 O ATOM 963 CB LYS A 60 -11.491 -2.267 0.343 1.00 0.00 C ATOM 964 CG LYS A 60 -12.274 -3.532 0.030 1.00 0.00 C ATOM 965 CD LYS A 60 -12.967 -4.097 1.262 1.00 0.00 C ATOM 966 CE LYS A 60 -12.094 -5.097 2.009 1.00 0.00 C ATOM 967 NZ LYS A 60 -10.757 -4.552 2.355 1.00 0.00 N ATOM 0 H LYS A 60 -9.390 -3.329 -0.315 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.290 -1.756 -1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.827 -2.458 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.185 -1.486 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.018 -3.317 -0.737 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.599 -4.283 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.235 -3.280 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.896 -4.582 0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.603 -5.404 2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.969 -5.991 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.266 -5.214 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.198 -4.426 1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.869 -3.634 2.831 1.00 0.00 H new ATOM 981 N PRO A 61 -10.999 0.690 -0.946 1.00 0.00 N ATOM 982 CA PRO A 61 -10.651 2.092 -0.701 1.00 0.00 C ATOM 983 C PRO A 61 -10.102 2.305 0.707 1.00 0.00 C ATOM 984 O PRO A 61 -9.151 3.061 0.912 1.00 0.00 O ATOM 985 CB PRO A 61 -11.982 2.820 -0.873 1.00 0.00 C ATOM 986 CG PRO A 61 -12.730 1.995 -1.855 1.00 0.00 C ATOM 987 CD PRO A 61 -12.298 0.564 -1.634 1.00 0.00 C ATOM 0 HA PRO A 61 -9.869 2.447 -1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.519 2.896 0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.835 3.836 -1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.805 2.102 -1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.511 2.313 -2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.020 0.017 -1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.201 0.026 -2.577 1.00 0.00 H new ATOM 995 N SER A 62 -10.700 1.598 1.658 1.00 0.00 N ATOM 996 CA SER A 62 -10.288 1.640 3.048 1.00 0.00 C ATOM 997 C SER A 62 -8.803 1.308 3.195 1.00 0.00 C ATOM 998 O SER A 62 -8.053 2.046 3.837 1.00 0.00 O ATOM 999 CB SER A 62 -11.124 0.637 3.834 1.00 0.00 C ATOM 1000 OG SER A 62 -12.452 0.595 3.334 1.00 0.00 O ATOM 0 H SER A 62 -11.489 0.977 1.481 1.00 0.00 H new ATOM 0 HA SER A 62 -10.443 2.648 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.673 -0.353 3.767 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.135 0.912 4.889 1.00 0.00 H new ATOM 0 HG SER A 62 -12.934 1.399 3.618 1.00 0.00 H new ATOM 1006 N THR A 63 -8.384 0.197 2.594 1.00 0.00 N ATOM 1007 CA THR A 63 -6.989 -0.218 2.654 1.00 0.00 C ATOM 1008 C THR A 63 -6.122 0.768 1.894 1.00 0.00 C ATOM 1009 O THR A 63 -5.136 1.253 2.426 1.00 0.00 O ATOM 1010 CB THR A 63 -6.788 -1.632 2.061 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.957 -2.428 2.309 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.566 -2.325 2.662 1.00 0.00 C ATOM 0 H THR A 63 -8.989 -0.428 2.062 1.00 0.00 H new ATOM 0 HA THR A 63 -6.698 -0.241 3.704 1.00 0.00 H new ATOM 0 HB THR A 63 -6.625 -1.526 0.988 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.079 -3.068 1.576 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.456 -3.316 2.222 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.674 -1.735 2.454 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.695 -2.419 3.740 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.526 1.090 0.668 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.748 1.970 -0.199 1.00 0.00 C ATOM 1022 C LEU A 64 -5.466 3.311 0.465 1.00 0.00 C ATOM 1023 O LEU A 64 -4.336 3.791 0.439 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.478 2.186 -1.524 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.652 0.941 -2.385 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.542 1.244 -3.574 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.302 0.433 -2.846 1.00 0.00 C ATOM 0 H LEU A 64 -7.393 0.752 0.251 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.791 1.484 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.463 2.602 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.934 2.933 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.129 0.164 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.658 0.346 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.520 1.573 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.089 2.032 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.439 -0.457 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.803 1.205 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.691 0.184 -1.978 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.487 3.910 1.068 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.308 5.182 1.750 1.00 0.00 C ATOM 1041 C ARG A 65 -5.423 5.021 2.970 1.00 0.00 C ATOM 1042 O ARG A 65 -4.690 5.936 3.328 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.647 5.789 2.146 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.443 6.331 0.972 1.00 0.00 C ATOM 1045 CD ARG A 65 -7.736 7.497 0.296 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.471 7.986 -0.867 1.00 0.00 N ATOM 1047 CZ ARG A 65 -7.940 8.779 -1.802 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -6.677 9.184 -1.702 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -8.668 9.155 -2.846 1.00 0.00 N ATOM 0 H ARG A 65 -7.437 3.539 1.098 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.819 5.863 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.241 5.032 2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.474 6.595 2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.606 5.535 0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.425 6.653 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.611 8.309 1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.738 7.186 -0.011 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.446 7.706 -0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.108 8.889 -0.908 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.277 9.789 -2.419 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.634 8.839 -2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.262 9.760 -3.559 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.479 3.857 3.600 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.600 3.573 4.713 1.00 0.00 C ATOM 1065 C GLU A 66 -3.166 3.442 4.213 1.00 0.00 C ATOM 1066 O GLU A 66 -2.285 4.118 4.712 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.039 2.292 5.417 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.115 1.870 6.540 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.149 2.821 7.716 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.166 2.829 8.444 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.165 3.560 7.924 1.00 0.00 O ATOM 0 H GLU A 66 -6.121 3.102 3.358 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.651 4.393 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.043 2.433 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.098 1.487 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.393 0.872 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.095 1.805 6.160 1.00 0.00 H new ATOM 1078 N LEU A 67 -2.956 2.582 3.214 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.646 2.411 2.579 1.00 0.00 C ATOM 1080 C LEU A 67 -1.063 3.775 2.198 1.00 0.00 C ATOM 1081 O LEU A 67 0.047 4.114 2.600 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.785 1.518 1.334 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.673 0.293 1.527 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.906 -0.405 0.209 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.051 -0.673 2.516 1.00 0.00 C ATOM 0 H LEU A 67 -3.686 1.986 2.823 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.966 1.930 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.187 2.117 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.793 1.187 1.028 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.630 0.632 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.542 -1.277 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.394 0.280 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.951 -0.723 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.702 -1.539 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.079 -0.999 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.924 -0.177 3.478 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.848 4.563 1.460 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.451 5.914 1.050 1.00 0.00 C ATOM 1099 C GLU A 68 -1.087 6.778 2.263 1.00 0.00 C ATOM 1100 O GLU A 68 0.040 7.241 2.402 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.602 6.587 0.288 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.299 8.010 -0.147 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.545 8.860 -0.335 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.628 8.478 0.164 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.440 9.938 -0.956 1.00 0.00 O ATOM 0 H GLU A 68 -2.773 4.285 1.131 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.575 5.824 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.840 5.991 -0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.490 6.591 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.656 8.480 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.740 7.985 -1.082 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.056 6.981 3.142 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.891 7.824 4.327 1.00 0.00 C ATOM 1114 C ARG A 69 -0.827 7.275 5.266 1.00 0.00 C ATOM 1115 O ARG A 69 -0.274 7.994 6.104 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.228 7.911 5.040 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.214 8.852 4.369 1.00 0.00 C ATOM 1118 CD ARG A 69 -4.193 10.232 4.991 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.893 10.888 4.854 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.665 11.932 4.060 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -3.621 12.385 3.253 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -1.471 12.511 4.062 1.00 0.00 N ATOM 0 H ARG A 69 -2.984 6.566 3.058 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.560 8.814 4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.668 6.915 5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.063 8.242 6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.977 8.929 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.219 8.437 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.959 10.850 4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.448 10.155 6.048 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.113 10.523 5.401 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.535 11.932 3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.440 13.185 2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.733 12.156 4.670 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.291 13.311 3.456 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.545 6.001 5.132 1.00 0.00 N ATOM 1137 CA TYR A 70 0.488 5.376 5.914 1.00 0.00 C ATOM 1138 C TYR A 70 1.849 5.760 5.369 1.00 0.00 C ATOM 1139 O TYR A 70 2.729 6.193 6.115 1.00 0.00 O ATOM 1140 CB TYR A 70 0.332 3.866 5.908 1.00 0.00 C ATOM 1141 CG TYR A 70 1.542 3.170 6.439 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.948 3.349 7.752 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.294 2.366 5.614 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.080 2.734 8.229 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.427 1.746 6.074 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.819 1.933 7.391 1.00 0.00 C ATOM 1147 OH TYR A 70 4.954 1.324 7.869 1.00 0.00 O ATOM 0 H TYR A 70 -1.022 5.375 4.483 1.00 0.00 H new ATOM 0 HA TYR A 70 0.400 5.724 6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.536 3.590 6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.138 3.527 4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.367 3.980 8.408 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.987 2.221 4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.387 2.879 9.254 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.009 1.117 5.416 1.00 0.00 H new ATOM 0 HH TYR A 70 5.501 1.014 7.117 1.00 0.00 H new ATOM 1157 N VAL A 71 2.025 5.617 4.064 1.00 0.00 N ATOM 1158 CA VAL A 71 3.293 5.961 3.459 1.00 0.00 C ATOM 1159 C VAL A 71 3.554 7.442 3.644 1.00 0.00 C ATOM 1160 O VAL A 71 4.686 7.849 3.818 1.00 0.00 O ATOM 1161 CB VAL A 71 3.366 5.645 1.951 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.883 4.250 1.637 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.603 6.656 1.141 1.00 0.00 C ATOM 0 H VAL A 71 1.316 5.271 3.417 1.00 0.00 H new ATOM 0 HA VAL A 71 4.044 5.350 3.959 1.00 0.00 H new ATOM 0 HB VAL A 71 4.419 5.702 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.953 4.074 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.501 3.524 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.846 4.144 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.675 6.404 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.556 6.651 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.024 7.648 1.307 1.00 0.00 H new ATOM 1173 N THR A 72 2.493 8.248 3.634 1.00 0.00 N ATOM 1174 CA THR A 72 2.650 9.686 3.714 1.00 0.00 C ATOM 1175 C THR A 72 3.250 10.088 5.048 1.00 0.00 C ATOM 1176 O THR A 72 3.970 11.077 5.139 1.00 0.00 O ATOM 1177 CB THR A 72 1.328 10.433 3.488 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.350 10.032 4.449 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.826 10.156 2.092 1.00 0.00 C ATOM 0 H THR A 72 1.527 7.927 3.572 1.00 0.00 H new ATOM 0 HA THR A 72 3.330 9.972 2.912 1.00 0.00 H new ATOM 0 HB THR A 72 1.504 11.502 3.606 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.727 9.338 5.029 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.113 10.686 1.931 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.564 10.496 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.663 9.085 1.970 1.00 0.00 H new ATOM 1187 N SER A 73 2.971 9.295 6.075 1.00 0.00 N ATOM 1188 CA SER A 73 3.548 9.525 7.387 1.00 0.00 C ATOM 1189 C SER A 73 5.064 9.283 7.342 1.00 0.00 C ATOM 1190 O SER A 73 5.815 9.786 8.177 1.00 0.00 O ATOM 1191 CB SER A 73 2.868 8.616 8.416 1.00 0.00 C ATOM 1192 OG SER A 73 3.354 7.285 8.354 1.00 0.00 O ATOM 0 H SER A 73 2.349 8.488 6.022 1.00 0.00 H new ATOM 0 HA SER A 73 3.382 10.560 7.685 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.032 9.015 9.417 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.791 8.617 8.245 1.00 0.00 H new ATOM 0 HG SER A 73 2.857 6.787 7.672 1.00 0.00 H new ATOM 1198 N CYS A 74 5.492 8.502 6.352 1.00 0.00 N ATOM 1199 CA CYS A 74 6.910 8.198 6.143 1.00 0.00 C ATOM 1200 C CYS A 74 7.522 9.061 5.030 1.00 0.00 C ATOM 1201 O CYS A 74 8.721 9.349 5.040 1.00 0.00 O ATOM 1202 CB CYS A 74 7.076 6.708 5.810 1.00 0.00 C ATOM 1203 SG CYS A 74 8.742 6.234 5.295 1.00 0.00 S ATOM 0 H CYS A 74 4.870 8.063 5.673 1.00 0.00 H new ATOM 0 HA CYS A 74 7.442 8.430 7.065 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.799 6.120 6.685 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.376 6.446 5.016 1.00 0.00 H new ATOM 0 HG CYS A 74 9.424 7.300 4.999 1.00 0.00 H new ATOM 1209 N LEU A 75 6.697 9.452 4.067 1.00 0.00 N ATOM 1210 CA LEU A 75 7.170 10.117 2.861 1.00 0.00 C ATOM 1211 C LEU A 75 6.956 11.623 2.917 1.00 0.00 C ATOM 1212 O LEU A 75 7.893 12.400 2.729 1.00 0.00 O ATOM 1213 CB LEU A 75 6.438 9.537 1.650 1.00 0.00 C ATOM 1214 CG LEU A 75 6.511 8.022 1.507 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.970 7.604 0.156 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.939 7.531 1.692 1.00 0.00 C ATOM 0 H LEU A 75 5.686 9.318 4.100 1.00 0.00 H new ATOM 0 HA LEU A 75 8.243 9.943 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.390 9.830 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.848 9.990 0.747 1.00 0.00 H new ATOM 0 HG LEU A 75 5.898 7.567 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.026 6.520 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.932 7.923 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.563 8.068 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.968 6.447 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.581 7.986 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.293 7.808 2.685 1.00 0.00 H new ATOM 1228 N ARG A 76 5.719 12.034 3.160 1.00 0.00 N ATOM 1229 CA ARG A 76 5.375 13.449 3.177 1.00 0.00 C ATOM 1230 C ARG A 76 5.684 14.058 4.534 1.00 0.00 C ATOM 1231 O ARG A 76 5.929 15.259 4.659 1.00 0.00 O ATOM 1232 CB ARG A 76 3.909 13.644 2.825 1.00 0.00 C ATOM 1233 CG ARG A 76 3.590 13.191 1.421 1.00 0.00 C ATOM 1234 CD ARG A 76 2.176 13.540 1.037 1.00 0.00 C ATOM 1235 NE ARG A 76 1.968 14.984 0.940 1.00 0.00 N ATOM 1236 CZ ARG A 76 0.872 15.546 0.430 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -0.116 14.783 -0.029 1.00 0.00 N ATOM 1238 NH2 ARG A 76 0.766 16.869 0.376 1.00 0.00 N ATOM 0 H ARG A 76 4.937 11.407 3.348 1.00 0.00 H new ATOM 0 HA ARG A 76 5.980 13.959 2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.291 13.090 3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.649 14.697 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.284 13.656 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.734 12.113 1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.936 13.076 0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.489 13.125 1.774 1.00 0.00 H new ATOM 0 HE ARG A 76 2.706 15.599 1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.036 13.767 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.954 15.214 -0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.524 17.456 0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.073 17.298 -0.014 1.00 0.00 H new ATOM 1252 N LYS A 77 5.668 13.210 5.545 1.00 0.00 N ATOM 1253 CA LYS A 77 6.028 13.595 6.895 1.00 0.00 C ATOM 1254 C LYS A 77 7.324 12.891 7.273 1.00 0.00 C ATOM 1255 O LYS A 77 7.594 11.799 6.769 1.00 0.00 O ATOM 1256 CB LYS A 77 4.907 13.202 7.867 1.00 0.00 C ATOM 1257 CG LYS A 77 5.138 13.656 9.296 1.00 0.00 C ATOM 1258 CD LYS A 77 4.042 13.154 10.219 1.00 0.00 C ATOM 1259 CE LYS A 77 4.286 13.574 11.659 1.00 0.00 C ATOM 1260 NZ LYS A 77 4.231 15.050 11.829 1.00 0.00 N ATOM 0 H LYS A 77 5.403 12.229 5.451 1.00 0.00 H new ATOM 0 HA LYS A 77 6.168 14.675 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.967 13.624 7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.794 12.118 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.104 13.291 9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.176 14.745 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.079 13.541 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.987 12.067 10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.541 13.107 12.303 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.261 13.209 11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.250 15.284 12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.050 15.484 11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.354 15.416 11.406 1.00 0.00 H new ATOM 1274 N LYS A 78 8.122 13.524 8.136 1.00 0.00 N ATOM 1275 CA LYS A 78 9.401 12.964 8.591 1.00 0.00 C ATOM 1276 C LYS A 78 10.452 12.981 7.479 1.00 0.00 C ATOM 1277 O LYS A 78 10.147 12.814 6.298 1.00 0.00 O ATOM 1278 CB LYS A 78 9.221 11.531 9.119 1.00 0.00 C ATOM 1279 CG LYS A 78 10.521 10.872 9.552 1.00 0.00 C ATOM 1280 CD LYS A 78 11.070 11.482 10.831 1.00 0.00 C ATOM 1281 CE LYS A 78 12.420 10.882 11.205 1.00 0.00 C ATOM 1282 NZ LYS A 78 12.334 9.424 11.491 1.00 0.00 N ATOM 0 H LYS A 78 7.903 14.435 8.539 1.00 0.00 H new ATOM 0 HA LYS A 78 9.755 13.597 9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.533 11.548 9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.756 10.923 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.354 9.805 9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.260 10.971 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.173 12.560 10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.362 11.322 11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.126 11.049 10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.814 11.398 12.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.243 9.090 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.583 9.251 12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.115 8.910 10.613 1.00 0.00 H new ATOM 1296 N ARG A 79 11.693 13.196 7.874 1.00 0.00 N ATOM 1297 CA ARG A 79 12.814 13.116 6.957 1.00 0.00 C ATOM 1298 C ARG A 79 13.776 12.038 7.445 1.00 0.00 C ATOM 1299 O ARG A 79 14.035 11.940 8.646 1.00 0.00 O ATOM 1300 CB ARG A 79 13.526 14.477 6.806 1.00 0.00 C ATOM 1301 CG ARG A 79 14.225 15.004 8.060 1.00 0.00 C ATOM 1302 CD ARG A 79 13.247 15.432 9.146 1.00 0.00 C ATOM 1303 NE ARG A 79 12.254 16.389 8.658 1.00 0.00 N ATOM 1304 CZ ARG A 79 11.162 16.745 9.335 1.00 0.00 C ATOM 1305 NH1 ARG A 79 10.926 16.243 10.542 1.00 0.00 N ATOM 1306 NH2 ARG A 79 10.306 17.609 8.804 1.00 0.00 N ATOM 0 H ARG A 79 11.951 13.429 8.833 1.00 0.00 H new ATOM 0 HA ARG A 79 12.444 12.849 5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 79 14.265 14.393 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.792 15.216 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.884 14.231 8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.855 15.852 7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.737 14.552 9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.800 15.876 9.974 1.00 0.00 H new ATOM 0 HE ARG A 79 12.407 16.811 7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.582 15.581 10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.089 16.520 11.055 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.484 18.000 7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.470 17.882 9.321 1.00 0.00 H new ATOM 1320 N LYS A 80 14.271 11.225 6.513 1.00 0.00 N ATOM 1321 CA LYS A 80 15.120 10.074 6.832 1.00 0.00 C ATOM 1322 C LYS A 80 14.346 9.049 7.667 1.00 0.00 C ATOM 1323 O LYS A 80 14.469 9.001 8.891 1.00 0.00 O ATOM 1324 CB LYS A 80 16.399 10.508 7.565 1.00 0.00 C ATOM 1325 CG LYS A 80 17.263 11.478 6.773 1.00 0.00 C ATOM 1326 CD LYS A 80 17.743 10.870 5.465 1.00 0.00 C ATOM 1327 CE LYS A 80 18.592 11.853 4.674 1.00 0.00 C ATOM 1328 NZ LYS A 80 19.073 11.270 3.395 1.00 0.00 N ATOM 0 H LYS A 80 14.096 11.344 5.515 1.00 0.00 H new ATOM 0 HA LYS A 80 15.415 9.608 5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.124 10.972 8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.988 9.622 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 80 16.694 12.384 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 80 18.123 11.772 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.323 9.970 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.884 10.565 4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.009 12.750 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.447 12.160 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 19.647 11.973 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 19.651 10.428 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.258 11.000 2.808 1.00 0.00 H new ATOM 1342 N PRO A 81 13.514 8.225 7.008 1.00 0.00 N ATOM 1343 CA PRO A 81 12.688 7.218 7.687 1.00 0.00 C ATOM 1344 C PRO A 81 13.483 6.006 8.155 1.00 0.00 C ATOM 1345 O PRO A 81 13.021 5.245 9.006 1.00 0.00 O ATOM 1346 CB PRO A 81 11.682 6.810 6.612 1.00 0.00 C ATOM 1347 CG PRO A 81 12.393 7.039 5.324 1.00 0.00 C ATOM 1348 CD PRO A 81 13.289 8.227 5.548 1.00 0.00 C ATOM 0 HA PRO A 81 12.237 7.617 8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.387 5.766 6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.772 7.407 6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.973 6.162 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.686 7.231 4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.225 8.132 4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.818 9.152 5.217 1.00 0.00 H new ATOM 1356 N GLN A 82 14.666 5.823 7.592 1.00 0.00 N ATOM 1357 CA GLN A 82 15.519 4.707 7.961 1.00 0.00 C ATOM 1358 C GLN A 82 16.894 5.217 8.373 1.00 0.00 C ATOM 1359 O GLN A 82 17.711 5.593 7.528 1.00 0.00 O ATOM 1360 CB GLN A 82 15.630 3.718 6.798 1.00 0.00 C ATOM 1361 CG GLN A 82 16.480 2.498 7.109 1.00 0.00 C ATOM 1362 CD GLN A 82 16.485 1.488 5.978 1.00 0.00 C ATOM 1363 OE1 GLN A 82 16.337 1.843 4.807 1.00 0.00 O ATOM 1364 NE2 GLN A 82 16.658 0.221 6.318 1.00 0.00 N ATOM 0 H GLN A 82 15.058 6.435 6.876 1.00 0.00 H new ATOM 0 HA GLN A 82 15.076 4.185 8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.630 3.390 6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.052 4.233 5.935 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.503 2.815 7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.107 2.021 8.015 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.777 -0.032 7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.672 -0.503 5.599 1.00 0.00 H new ATOM 1373 N ALA A 83 17.128 5.257 9.674 1.00 0.00 N ATOM 1374 CA ALA A 83 18.388 5.736 10.213 1.00 0.00 C ATOM 1375 C ALA A 83 19.379 4.591 10.362 1.00 0.00 C ATOM 1376 O ALA A 83 19.221 3.784 11.302 1.00 0.00 O ATOM 1377 CB ALA A 83 18.160 6.424 11.551 1.00 0.00 C ATOM 1378 OXT ALA A 83 20.317 4.503 9.542 1.00 0.00 O ATOM 0 H ALA A 83 16.455 4.961 10.381 1.00 0.00 H new ATOM 0 HA ALA A 83 18.809 6.461 9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.113 6.779 11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.486 7.270 11.415 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.718 5.717 12.253 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N VAL B 201 -4.973 -0.220 -16.179 1.00 0.00 N ATOM 1386 CA VAL B 201 -5.047 -0.948 -14.895 1.00 0.00 C ATOM 1387 C VAL B 201 -3.724 -0.835 -14.153 1.00 0.00 C ATOM 1388 O VAL B 201 -2.667 -1.144 -14.710 1.00 0.00 O ATOM 1389 CB VAL B 201 -5.375 -2.444 -15.107 1.00 0.00 C ATOM 1390 CG1 VAL B 201 -5.549 -3.153 -13.772 1.00 0.00 C ATOM 1391 CG2 VAL B 201 -6.618 -2.610 -15.966 1.00 0.00 C ATOM 0 HA VAL B 201 -5.847 -0.495 -14.309 1.00 0.00 H new ATOM 0 HB VAL B 201 -4.536 -2.901 -15.631 1.00 0.00 H new ATOM 0 HG11 VAL B 201 -5.779 -4.204 -13.946 1.00 0.00 H new ATOM 0 HG12 VAL B 201 -4.628 -3.074 -13.195 1.00 0.00 H new ATOM 0 HG13 VAL B 201 -6.365 -2.690 -13.218 1.00 0.00 H new ATOM 0 HG21 VAL B 201 -6.828 -3.671 -16.101 1.00 0.00 H new ATOM 0 HG22 VAL B 201 -7.466 -2.132 -15.476 1.00 0.00 H new ATOM 0 HG23 VAL B 201 -6.453 -2.146 -16.939 1.00 0.00 H new ATOM 1403 N VAL B 202 -3.784 -0.377 -12.908 1.00 0.00 N ATOM 1404 CA VAL B 202 -2.597 -0.258 -12.072 1.00 0.00 C ATOM 1405 C VAL B 202 -1.975 -1.629 -11.819 1.00 0.00 C ATOM 1406 O VAL B 202 -2.647 -2.542 -11.335 1.00 0.00 O ATOM 1407 CB VAL B 202 -2.928 0.422 -10.725 1.00 0.00 C ATOM 1408 CG1 VAL B 202 -1.721 0.419 -9.795 1.00 0.00 C ATOM 1409 CG2 VAL B 202 -3.406 1.844 -10.960 1.00 0.00 C ATOM 0 H VAL B 202 -4.648 -0.081 -12.454 1.00 0.00 H new ATOM 0 HA VAL B 202 -1.880 0.364 -12.607 1.00 0.00 H new ATOM 0 HB VAL B 202 -3.724 -0.147 -10.246 1.00 0.00 H new ATOM 0 HG11 VAL B 202 -1.985 0.904 -8.855 1.00 0.00 H new ATOM 0 HG12 VAL B 202 -1.415 -0.609 -9.599 1.00 0.00 H new ATOM 0 HG13 VAL B 202 -0.899 0.959 -10.264 1.00 0.00 H new ATOM 0 HG21 VAL B 202 -3.636 2.313 -10.003 1.00 0.00 H new ATOM 0 HG22 VAL B 202 -2.624 2.412 -11.464 1.00 0.00 H new ATOM 0 HG23 VAL B 202 -4.301 1.829 -11.582 1.00 0.00 H new ATOM 1419 N PRO B 203 -0.691 -1.789 -12.172 1.00 0.00 N ATOM 1420 CA PRO B 203 0.031 -3.049 -11.988 1.00 0.00 C ATOM 1421 C PRO B 203 0.216 -3.395 -10.516 1.00 0.00 C ATOM 1422 O PRO B 203 0.580 -2.537 -9.703 1.00 0.00 O ATOM 1423 CB PRO B 203 1.387 -2.794 -12.655 1.00 0.00 C ATOM 1424 CG PRO B 203 1.547 -1.314 -12.662 1.00 0.00 C ATOM 1425 CD PRO B 203 0.160 -0.748 -12.782 1.00 0.00 C ATOM 0 HA PRO B 203 -0.510 -3.893 -12.416 1.00 0.00 H new ATOM 0 HB2 PRO B 203 2.194 -3.275 -12.102 1.00 0.00 H new ATOM 0 HB3 PRO B 203 1.410 -3.197 -13.667 1.00 0.00 H new ATOM 0 HG2 PRO B 203 2.031 -0.970 -11.748 1.00 0.00 H new ATOM 0 HG3 PRO B 203 2.173 -0.993 -13.495 1.00 0.00 H new ATOM 0 HD2 PRO B 203 0.068 0.203 -12.258 1.00 0.00 H new ATOM 0 HD3 PRO B 203 -0.111 -0.567 -13.822 1.00 0.00 H new ATOM 1433 N LYS B 204 -0.051 -4.653 -10.184 1.00 0.00 N ATOM 1434 CA LYS B 204 0.138 -5.157 -8.830 1.00 0.00 C ATOM 1435 C LYS B 204 1.577 -4.951 -8.383 1.00 0.00 C ATOM 1436 O LYS B 204 2.516 -5.142 -9.161 1.00 0.00 O ATOM 1437 CB LYS B 204 -0.225 -6.642 -8.763 1.00 0.00 C ATOM 1438 CG LYS B 204 0.467 -7.481 -9.823 1.00 0.00 C ATOM 1439 CD LYS B 204 -0.032 -8.914 -9.822 1.00 0.00 C ATOM 1440 CE LYS B 204 0.437 -9.665 -11.057 1.00 0.00 C ATOM 1441 NZ LYS B 204 -0.069 -9.038 -12.309 1.00 0.00 N ATOM 0 H LYS B 204 -0.403 -5.348 -10.842 1.00 0.00 H new ATOM 0 HA LYS B 204 -0.519 -4.603 -8.159 1.00 0.00 H new ATOM 0 HB2 LYS B 204 0.036 -7.028 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS B 204 -1.304 -6.750 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS B 204 0.298 -7.038 -10.805 1.00 0.00 H new ATOM 0 HG3 LYS B 204 1.543 -7.471 -9.649 1.00 0.00 H new ATOM 0 HD2 LYS B 204 0.324 -9.424 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS B 204 -1.121 -8.922 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS B 204 1.527 -9.688 -11.077 1.00 0.00 H new ATOM 0 HE3 LYS B 204 0.097 -10.699 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 204 -0.077 -9.744 -13.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 204 -1.035 -8.684 -12.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 204 0.551 -8.247 -12.576 1.00 0.00 H new ATOM 1455 N LYS B 205 1.750 -4.557 -7.136 1.00 0.00 N ATOM 1456 CA LYS B 205 3.074 -4.271 -6.625 1.00 0.00 C ATOM 1457 C LYS B 205 3.738 -5.553 -6.152 1.00 0.00 C ATOM 1458 O LYS B 205 3.326 -6.148 -5.152 1.00 0.00 O ATOM 1459 CB LYS B 205 3.010 -3.262 -5.481 1.00 0.00 C ATOM 1460 CG LYS B 205 4.310 -2.502 -5.279 1.00 0.00 C ATOM 1461 CD LYS B 205 4.597 -1.577 -6.451 1.00 0.00 C ATOM 1462 CE LYS B 205 5.927 -0.866 -6.291 1.00 0.00 C ATOM 1463 NZ LYS B 205 7.085 -1.785 -6.460 1.00 0.00 N ATOM 0 H LYS B 205 0.995 -4.429 -6.463 1.00 0.00 H new ATOM 0 HA LYS B 205 3.666 -3.838 -7.431 1.00 0.00 H new ATOM 0 HB2 LYS B 205 2.208 -2.551 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS B 205 2.755 -3.784 -4.559 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.254 -1.920 -4.359 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.132 -3.208 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS B 205 4.601 -2.153 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS B 205 3.798 -0.840 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS B 205 5.996 -0.061 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS B 205 5.973 -0.405 -5.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 7.971 -1.250 -6.358 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 7.046 -2.530 -5.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 7.049 -2.219 -7.405 1.00 0.00 H new ATOM 1477 N LYS B 206 4.752 -5.979 -6.885 1.00 0.00 N ATOM 1478 CA LYS B 206 5.487 -7.184 -6.546 1.00 0.00 C ATOM 1479 C LYS B 206 6.492 -6.875 -5.448 1.00 0.00 C ATOM 1480 O LYS B 206 7.605 -6.411 -5.710 1.00 0.00 O ATOM 1481 CB LYS B 206 6.180 -7.748 -7.787 1.00 0.00 C ATOM 1482 CG LYS B 206 5.210 -8.060 -8.914 1.00 0.00 C ATOM 1483 CD LYS B 206 5.911 -8.679 -10.109 1.00 0.00 C ATOM 1484 CE LYS B 206 4.925 -9.002 -11.220 1.00 0.00 C ATOM 1485 NZ LYS B 206 5.586 -9.651 -12.381 1.00 0.00 N ATOM 0 H LYS B 206 5.086 -5.504 -7.724 1.00 0.00 H new ATOM 0 HA LYS B 206 4.794 -7.941 -6.178 1.00 0.00 H new ATOM 0 HB2 LYS B 206 6.922 -7.031 -8.140 1.00 0.00 H new ATOM 0 HB3 LYS B 206 6.718 -8.656 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS B 206 4.440 -8.741 -8.552 1.00 0.00 H new ATOM 0 HG3 LYS B 206 4.706 -7.144 -9.223 1.00 0.00 H new ATOM 0 HD2 LYS B 206 6.672 -7.994 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS B 206 6.426 -9.589 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS B 206 4.146 -9.659 -10.833 1.00 0.00 H new ATOM 0 HE3 LYS B 206 4.435 -8.085 -11.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 206 4.878 -9.854 -13.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 206 6.312 -9.015 -12.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 206 6.031 -10.539 -12.075 1.00 0.00 H new ATOM 1499 N ILE B 207 6.076 -7.109 -4.216 1.00 0.00 N ATOM 1500 CA ILE B 207 6.873 -6.759 -3.057 1.00 0.00 C ATOM 1501 C ILE B 207 7.836 -7.882 -2.699 1.00 0.00 C ATOM 1502 O ILE B 207 7.424 -9.006 -2.404 1.00 0.00 O ATOM 1503 CB ILE B 207 5.965 -6.436 -1.854 1.00 0.00 C ATOM 1504 CG1 ILE B 207 4.963 -5.338 -2.232 1.00 0.00 C ATOM 1505 CG2 ILE B 207 6.793 -6.026 -0.643 1.00 0.00 C ATOM 1506 CD1 ILE B 207 5.564 -3.953 -2.341 1.00 0.00 C ATOM 0 H ILE B 207 5.181 -7.545 -3.993 1.00 0.00 H new ATOM 0 HA ILE B 207 7.456 -5.872 -3.306 1.00 0.00 H new ATOM 0 HB ILE B 207 5.410 -7.335 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE B 207 4.502 -5.597 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE B 207 4.167 -5.318 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE B 207 6.130 -5.803 0.193 1.00 0.00 H new ATOM 0 HG22 ILE B 207 7.463 -6.841 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE B 207 7.380 -5.140 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE B 207 4.786 -3.239 -2.612 1.00 0.00 H new ATOM 0 HD12 ILE B 207 6.000 -3.669 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE B 207 6.340 -3.952 -3.107 1.00 0.00 H new ATOM 1518 N LYS B 208 9.117 -7.565 -2.750 1.00 0.00 N ATOM 1519 CA LYS B 208 10.174 -8.507 -2.434 1.00 0.00 C ATOM 1520 C LYS B 208 11.422 -7.694 -2.096 1.00 0.00 C ATOM 1521 O LYS B 208 11.303 -6.503 -1.808 1.00 0.00 O ATOM 1522 CB LYS B 208 10.402 -9.452 -3.629 1.00 0.00 C ATOM 1523 CG LYS B 208 11.130 -10.753 -3.295 1.00 0.00 C ATOM 1524 CD LYS B 208 10.509 -11.462 -2.103 1.00 0.00 C ATOM 1525 CE LYS B 208 11.169 -12.810 -1.847 1.00 0.00 C ATOM 1526 NZ LYS B 208 10.875 -13.791 -2.926 1.00 0.00 N ATOM 0 H LYS B 208 9.455 -6.640 -3.014 1.00 0.00 H new ATOM 0 HA LYS B 208 9.913 -9.134 -1.582 1.00 0.00 H new ATOM 0 HB2 LYS B 208 9.435 -9.697 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS B 208 10.972 -8.919 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.108 -11.414 -4.162 1.00 0.00 H new ATOM 0 HG3 LYS B 208 12.178 -10.539 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.604 -10.835 -1.216 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.443 -11.606 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS B 208 12.247 -12.675 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS B 208 10.823 -13.207 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 11.746 -14.298 -3.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 10.163 -14.472 -2.592 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 10.510 -13.290 -3.761 1.00 0.00 H new ATOM 1540 N LYS B 209 12.603 -8.301 -2.131 1.00 0.00 N ATOM 1541 CA LYS B 209 13.832 -7.577 -1.817 1.00 0.00 C ATOM 1542 C LYS B 209 14.046 -6.423 -2.794 1.00 0.00 C ATOM 1543 O LYS B 209 14.647 -5.408 -2.447 1.00 0.00 O ATOM 1544 CB LYS B 209 15.045 -8.508 -1.845 1.00 0.00 C ATOM 1545 CG LYS B 209 14.950 -9.677 -0.876 1.00 0.00 C ATOM 1546 CD LYS B 209 16.286 -10.394 -0.734 1.00 0.00 C ATOM 1547 CE LYS B 209 16.770 -10.983 -2.052 1.00 0.00 C ATOM 1548 NZ LYS B 209 15.906 -12.099 -2.523 1.00 0.00 N ATOM 0 H LYS B 209 12.737 -9.283 -2.371 1.00 0.00 H new ATOM 0 HA LYS B 209 13.726 -7.175 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS B 209 15.169 -8.896 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS B 209 15.940 -7.930 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS B 209 14.624 -9.317 0.100 1.00 0.00 H new ATOM 0 HG3 LYS B 209 14.194 -10.380 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS B 209 17.032 -9.695 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS B 209 16.191 -11.190 0.004 1.00 0.00 H new ATOM 0 HE2 LYS B 209 16.794 -10.200 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS B 209 17.792 -11.343 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 209 16.312 -12.512 -3.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 209 15.848 -12.829 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS B 209 14.953 -11.737 -2.728 1.00 0.00 H new ATOM 1562 N GLU B 210 13.544 -6.584 -4.011 1.00 0.00 N ATOM 1563 CA GLU B 210 13.640 -5.539 -5.018 1.00 0.00 C ATOM 1564 C GLU B 210 12.495 -4.545 -4.867 1.00 0.00 C ATOM 1565 O GLU B 210 11.426 -4.717 -5.462 1.00 0.00 O ATOM 1566 CB GLU B 210 13.609 -6.141 -6.419 1.00 0.00 C ATOM 1567 CG GLU B 210 14.753 -7.092 -6.713 1.00 0.00 C ATOM 1568 CD GLU B 210 14.716 -7.587 -8.140 1.00 0.00 C ATOM 1569 OE1 GLU B 210 15.105 -6.818 -9.046 1.00 0.00 O ATOM 1570 OE2 GLU B 210 14.274 -8.732 -8.367 1.00 0.00 O ATOM 0 H GLU B 210 13.066 -7.429 -4.324 1.00 0.00 H new ATOM 0 HA GLU B 210 14.587 -5.018 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU B 210 12.667 -6.672 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU B 210 13.626 -5.333 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU B 210 15.702 -6.588 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU B 210 14.704 -7.942 -6.032 1.00 0.00 H new ATOM 1577 N GLN B 211 12.715 -3.515 -4.068 1.00 0.00 N ATOM 1578 CA GLN B 211 11.702 -2.491 -3.862 1.00 0.00 C ATOM 1579 C GLN B 211 12.295 -1.096 -4.051 1.00 0.00 C ATOM 1580 O GLN B 211 11.810 -0.318 -4.869 1.00 0.00 O ATOM 1581 CB GLN B 211 11.057 -2.643 -2.479 1.00 0.00 C ATOM 1582 CG GLN B 211 12.051 -2.683 -1.330 1.00 0.00 C ATOM 1583 CD GLN B 211 11.384 -2.911 0.007 1.00 0.00 C ATOM 1584 OE1 GLN B 211 10.960 -1.834 0.647 1.00 0.00 O flip ATOM 1585 NE2 GLN B 211 11.237 -4.047 0.456 1.00 0.00 N flip ATOM 0 H GLN B 211 13.582 -3.365 -3.552 1.00 0.00 H new ATOM 0 HA GLN B 211 10.921 -2.621 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN B 211 10.367 -1.815 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN B 211 10.465 -3.558 -2.465 1.00 0.00 H new ATOM 0 HG2 GLN B 211 12.777 -3.476 -1.510 1.00 0.00 H new ATOM 0 HG3 GLN B 211 12.605 -1.745 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN B 211 11.579 -4.851 -0.070 1.00 0.00 H new ATOM 0 HE22 GLN B 211 10.773 -4.184 1.354 1.00 0.00 H new ATOM 1594 N VAL B 212 13.364 -0.797 -3.326 1.00 0.00 N ATOM 1595 CA VAL B 212 14.026 0.494 -3.439 1.00 0.00 C ATOM 1596 C VAL B 212 14.848 0.545 -4.720 1.00 0.00 C ATOM 1597 O VAL B 212 14.956 1.586 -5.373 1.00 0.00 O ATOM 1598 CB VAL B 212 14.940 0.771 -2.222 1.00 0.00 C ATOM 1599 CG1 VAL B 212 15.665 2.100 -2.370 1.00 0.00 C ATOM 1600 CG2 VAL B 212 14.134 0.749 -0.933 1.00 0.00 C ATOM 0 H VAL B 212 13.791 -1.433 -2.652 1.00 0.00 H new ATOM 0 HA VAL B 212 13.255 1.264 -3.465 1.00 0.00 H new ATOM 0 HB VAL B 212 15.689 -0.020 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL B 212 16.300 2.267 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL B 212 16.280 2.081 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL B 212 14.935 2.906 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL B 212 14.794 0.946 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL B 212 13.360 1.515 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL B 212 13.670 -0.230 -0.811 1.00 0.00 H new ATOM 1610 N GLU B 213 15.408 -0.594 -5.085 1.00 0.00 N ATOM 1611 CA GLU B 213 16.217 -0.695 -6.282 1.00 0.00 C ATOM 1612 C GLU B 213 15.367 -1.212 -7.437 1.00 0.00 C ATOM 1613 O GLU B 213 15.095 -0.435 -8.369 1.00 0.00 O ATOM 1614 CB GLU B 213 17.409 -1.619 -6.037 1.00 0.00 C ATOM 1615 CG GLU B 213 18.556 -1.401 -7.009 1.00 0.00 C ATOM 1616 CD GLU B 213 19.144 -0.009 -6.895 1.00 0.00 C ATOM 1617 OE1 GLU B 213 19.931 0.233 -5.955 1.00 0.00 O ATOM 1618 OE2 GLU B 213 18.816 0.854 -7.740 1.00 0.00 O ATOM 1619 OXT GLU B 213 14.939 -2.385 -7.387 1.00 0.00 O ATOM 0 H GLU B 213 15.315 -1.466 -4.565 1.00 0.00 H new ATOM 0 HA GLU B 213 16.597 0.293 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU B 213 17.772 -1.469 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU B 213 17.076 -2.655 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU B 213 19.335 -2.140 -6.821 1.00 0.00 H new ATOM 0 HG3 GLU B 213 18.203 -1.563 -8.028 1.00 0.00 H new TER 1626 GLU B 213