USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 755 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 95 SER OG : rot 130:sc= -0.954 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 65 ASN : amide:sc= 0.183 K(o=-3.4,f=-6.7!) USER MOD Set 2.2: A 88 MET CE :methyl -165:sc= -3.61 (180deg=-4.79!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -164:sc= -0.79 (180deg=-1.67!) USER MOD Single : A 29 MET CE :methyl -172:sc= -0.128 (180deg=-0.336) USER MOD Single : A 30 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.16) USER MOD Single : A 31 THR OG1 : rot 39:sc= 1.01 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot -17:sc= 0.338 USER MOD Single : A 41 GLN : amide:sc= -0.461 K(o=-0.46,f=-4.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 47 SER OG : rot -97:sc= 0.128 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 160:sc= 0 USER MOD Single : A 68 SER OG : rot 29:sc= 0.549 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -0.163 K(o=-0.16,f=-3.6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.009) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.212 3.457 -14.675 1.00 0.00 N ATOM 60 CA GLY A 7 8.052 3.794 -13.868 1.00 0.00 C ATOM 61 C GLY A 7 6.895 2.831 -14.141 1.00 0.00 C ATOM 62 O GLY A 7 6.025 3.117 -14.962 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.317 3.759 -12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.738 4.815 -14.084 1.00 0.00 H new ATOM 66 N TYR A 8 6.923 1.709 -13.437 1.00 0.00 N ATOM 67 CA TYR A 8 5.888 0.701 -13.594 1.00 0.00 C ATOM 68 C TYR A 8 5.096 0.523 -12.297 1.00 0.00 C ATOM 69 O TYR A 8 5.464 1.072 -11.260 1.00 0.00 O ATOM 70 CB TYR A 8 6.615 -0.605 -13.916 1.00 0.00 C ATOM 71 CG TYR A 8 7.661 -1.009 -12.875 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.296 -1.789 -11.797 1.00 0.00 C ATOM 73 CD2 TYR A 8 8.969 -0.592 -13.013 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.280 -2.169 -10.816 1.00 0.00 C ATOM 75 CE2 TYR A 8 9.953 -0.972 -12.033 1.00 0.00 C ATOM 76 CZ TYR A 8 9.560 -1.742 -10.983 1.00 0.00 C ATOM 77 OH TYR A 8 10.489 -2.100 -10.057 1.00 0.00 O ATOM 0 H TYR A 8 7.646 1.476 -12.756 1.00 0.00 H new ATOM 0 HA TYR A 8 5.185 0.991 -14.375 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.880 -1.405 -14.007 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.102 -0.508 -14.886 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.272 -2.115 -11.689 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.255 0.019 -13.856 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.007 -2.779 -9.967 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.980 -0.653 -12.130 1.00 0.00 H new ATOM 0 HH TYR A 8 11.360 -1.725 -10.305 1.00 0.00 H new ATOM 87 N VAL A 9 4.022 -0.247 -12.397 1.00 0.00 N ATOM 88 CA VAL A 9 3.175 -0.505 -11.245 1.00 0.00 C ATOM 89 C VAL A 9 3.111 -2.012 -10.991 1.00 0.00 C ATOM 90 O VAL A 9 3.478 -2.807 -11.856 1.00 0.00 O ATOM 91 CB VAL A 9 1.797 0.125 -11.458 1.00 0.00 C ATOM 92 CG1 VAL A 9 1.573 0.470 -12.932 1.00 0.00 C ATOM 93 CG2 VAL A 9 0.689 -0.792 -10.935 1.00 0.00 C ATOM 0 H VAL A 9 3.719 -0.701 -13.259 1.00 0.00 H new ATOM 0 HA VAL A 9 3.594 -0.043 -10.351 1.00 0.00 H new ATOM 0 HB VAL A 9 1.761 1.053 -10.888 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.586 0.916 -13.055 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.335 1.177 -13.260 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.638 -0.438 -13.532 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.280 -0.321 -11.098 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.724 -1.744 -11.465 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.833 -0.965 -9.869 1.00 0.00 H new ATOM 103 N PHE A 10 2.643 -2.360 -9.802 1.00 0.00 N ATOM 104 CA PHE A 10 2.526 -3.758 -9.424 1.00 0.00 C ATOM 105 C PHE A 10 1.313 -3.982 -8.518 1.00 0.00 C ATOM 106 O PHE A 10 1.001 -3.144 -7.674 1.00 0.00 O ATOM 107 CB PHE A 10 3.797 -4.120 -8.653 1.00 0.00 C ATOM 108 CG PHE A 10 3.912 -3.439 -7.288 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.470 -2.203 -7.189 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.456 -4.070 -6.172 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.577 -1.571 -5.922 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.563 -3.438 -4.905 1.00 0.00 C ATOM 113 CZ PHE A 10 4.121 -2.202 -4.807 1.00 0.00 C ATOM 0 H PHE A 10 2.340 -1.698 -9.087 1.00 0.00 H new ATOM 0 HA PHE A 10 2.400 -4.375 -10.314 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.829 -5.200 -8.512 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.664 -3.851 -9.256 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.832 -1.702 -8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.013 -5.052 -6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.020 -0.589 -5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.201 -3.939 -4.019 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.202 -1.721 -3.843 1.00 0.00 H new ATOM 123 N THR A 11 0.661 -5.117 -8.725 1.00 0.00 N ATOM 124 CA THR A 11 -0.510 -5.461 -7.938 1.00 0.00 C ATOM 125 C THR A 11 -0.100 -6.224 -6.677 1.00 0.00 C ATOM 126 O THR A 11 0.944 -6.875 -6.653 1.00 0.00 O ATOM 127 CB THR A 11 -1.470 -6.243 -8.837 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.880 -5.294 -9.817 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.767 -6.622 -8.119 1.00 0.00 C ATOM 0 H THR A 11 0.922 -5.810 -9.427 1.00 0.00 H new ATOM 0 HA THR A 11 -1.026 -4.568 -7.585 1.00 0.00 H new ATOM 0 HB THR A 11 -0.976 -7.146 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.504 -5.718 -10.443 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.412 -7.175 -8.801 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.536 -7.244 -7.254 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.278 -5.717 -7.789 1.00 0.00 H new ATOM 137 N VAL A 12 -0.943 -6.120 -5.660 1.00 0.00 N ATOM 138 CA VAL A 12 -0.682 -6.792 -4.399 1.00 0.00 C ATOM 139 C VAL A 12 -1.922 -7.586 -3.982 1.00 0.00 C ATOM 140 O VAL A 12 -2.955 -7.004 -3.657 1.00 0.00 O ATOM 141 CB VAL A 12 -0.241 -5.774 -3.345 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.775 -6.389 -2.380 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.321 -4.512 -4.003 1.00 0.00 C ATOM 0 H VAL A 12 -1.808 -5.580 -5.684 1.00 0.00 H new ATOM 0 HA VAL A 12 0.137 -7.503 -4.508 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.120 -5.487 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.072 -5.645 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.325 -7.243 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.653 -6.718 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.627 -3.805 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.183 -4.775 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.446 -4.056 -4.630 1.00 0.00 H new ATOM 153 N GLU A 13 -1.777 -8.903 -4.006 1.00 0.00 N ATOM 154 CA GLU A 13 -2.873 -9.782 -3.634 1.00 0.00 C ATOM 155 C GLU A 13 -2.712 -10.248 -2.186 1.00 0.00 C ATOM 156 O GLU A 13 -1.717 -10.884 -1.842 1.00 0.00 O ATOM 157 CB GLU A 13 -2.965 -10.975 -4.587 1.00 0.00 C ATOM 158 CG GLU A 13 -3.611 -10.569 -5.913 1.00 0.00 C ATOM 159 CD GLU A 13 -3.261 -11.565 -7.021 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.075 -11.584 -7.413 1.00 0.00 O ATOM 161 OE2 GLU A 13 -4.188 -12.284 -7.451 1.00 0.00 O ATOM 0 H GLU A 13 -0.918 -9.382 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.805 -9.222 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.968 -11.375 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.547 -11.771 -4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.693 -10.518 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.274 -9.572 -6.196 1.00 0.00 H new ATOM 168 N LEU A 14 -3.705 -9.914 -1.376 1.00 0.00 N ATOM 169 CA LEU A 14 -3.686 -10.290 0.027 1.00 0.00 C ATOM 170 C LEU A 14 -5.056 -10.846 0.420 1.00 0.00 C ATOM 171 O LEU A 14 -6.027 -10.697 -0.321 1.00 0.00 O ATOM 172 CB LEU A 14 -3.230 -9.113 0.892 1.00 0.00 C ATOM 173 CG LEU A 14 -1.923 -8.439 0.470 1.00 0.00 C ATOM 174 CD1 LEU A 14 -1.967 -6.935 0.748 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.720 -9.110 1.136 1.00 0.00 C ATOM 0 H LEU A 14 -4.529 -9.387 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.958 -11.083 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.019 -8.361 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.121 -9.463 1.919 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.806 -8.564 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.026 -6.480 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.788 -6.486 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.119 -6.766 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.196 -8.612 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.816 -9.037 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.681 -10.160 0.845 1.00 0.00 H new ATOM 187 N GLU A 15 -5.091 -11.477 1.585 1.00 0.00 N ATOM 188 CA GLU A 15 -6.326 -12.056 2.086 1.00 0.00 C ATOM 189 C GLU A 15 -6.737 -11.381 3.396 1.00 0.00 C ATOM 190 O GLU A 15 -6.052 -11.516 4.409 1.00 0.00 O ATOM 191 CB GLU A 15 -6.188 -13.569 2.268 1.00 0.00 C ATOM 192 CG GLU A 15 -7.346 -14.130 3.095 1.00 0.00 C ATOM 193 CD GLU A 15 -7.492 -15.638 2.883 1.00 0.00 C ATOM 194 OE1 GLU A 15 -7.776 -16.023 1.728 1.00 0.00 O ATOM 195 OE2 GLU A 15 -7.316 -16.371 3.879 1.00 0.00 O ATOM 0 H GLU A 15 -4.284 -11.600 2.196 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.110 -11.882 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.164 -14.055 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.242 -13.795 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.177 -13.923 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.273 -13.629 2.816 1.00 0.00 H new ATOM 202 N ARG A 16 -7.853 -10.670 3.334 1.00 0.00 N ATOM 203 CA ARG A 16 -8.362 -9.974 4.503 1.00 0.00 C ATOM 204 C ARG A 16 -8.281 -10.877 5.736 1.00 0.00 C ATOM 205 O ARG A 16 -9.067 -11.813 5.876 1.00 0.00 O ATOM 206 CB ARG A 16 -9.813 -9.536 4.295 1.00 0.00 C ATOM 207 CG ARG A 16 -10.061 -8.153 4.900 1.00 0.00 C ATOM 208 CD ARG A 16 -11.219 -7.445 4.194 1.00 0.00 C ATOM 209 NE ARG A 16 -12.167 -6.904 5.194 1.00 0.00 N ATOM 210 CZ ARG A 16 -12.884 -7.661 6.035 1.00 0.00 C ATOM 211 NH1 ARG A 16 -12.766 -8.996 6.002 1.00 0.00 N ATOM 212 NH2 ARG A 16 -13.720 -7.084 6.909 1.00 0.00 N ATOM 0 H ARG A 16 -8.419 -10.561 2.492 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.745 -9.088 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.041 -9.517 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.485 -10.262 4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.284 -8.252 5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.157 -7.549 4.819 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.836 -6.638 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.734 -8.142 3.533 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.281 -5.892 5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.130 -9.435 5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.312 -9.572 6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.810 -6.068 6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.266 -7.660 7.549 1.00 0.00 H new ATOM 226 N GLY A 17 -7.325 -10.564 6.597 1.00 0.00 N ATOM 227 CA GLY A 17 -7.131 -11.335 7.813 1.00 0.00 C ATOM 228 C GLY A 17 -8.259 -11.074 8.814 1.00 0.00 C ATOM 229 O GLY A 17 -9.215 -10.364 8.506 1.00 0.00 O ATOM 0 H GLY A 17 -6.676 -9.787 6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.093 -12.397 7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.173 -11.075 8.263 1.00 0.00 H new ATOM 233 N PRO A 18 -8.107 -11.679 10.023 1.00 0.00 N ATOM 234 CA PRO A 18 -9.101 -11.519 11.070 1.00 0.00 C ATOM 235 C PRO A 18 -9.004 -10.133 11.711 1.00 0.00 C ATOM 236 O PRO A 18 -9.944 -9.678 12.361 1.00 0.00 O ATOM 237 CB PRO A 18 -8.825 -12.647 12.050 1.00 0.00 C ATOM 238 CG PRO A 18 -7.407 -13.113 11.761 1.00 0.00 C ATOM 239 CD PRO A 18 -6.988 -12.527 10.423 1.00 0.00 C ATOM 0 HA PRO A 18 -10.122 -11.578 10.693 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.920 -12.302 13.080 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.538 -13.461 11.919 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.729 -12.786 12.550 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.361 -14.202 11.732 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.067 -11.951 10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.802 -13.310 9.688 1.00 0.00 H new ATOM 247 N SER A 19 -7.857 -9.501 11.507 1.00 0.00 N ATOM 248 CA SER A 19 -7.625 -8.176 12.057 1.00 0.00 C ATOM 249 C SER A 19 -8.079 -7.108 11.060 1.00 0.00 C ATOM 250 O SER A 19 -8.354 -5.972 11.444 1.00 0.00 O ATOM 251 CB SER A 19 -6.150 -7.978 12.412 1.00 0.00 C ATOM 252 OG SER A 19 -5.753 -8.786 13.517 1.00 0.00 O ATOM 0 H SER A 19 -7.079 -9.882 10.969 1.00 0.00 H new ATOM 0 HA SER A 19 -8.208 -8.079 12.973 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.533 -8.220 11.546 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.972 -6.929 12.648 1.00 0.00 H new ATOM 0 HG SER A 19 -4.805 -8.632 13.711 1.00 0.00 H new ATOM 258 N GLY A 20 -8.144 -7.511 9.800 1.00 0.00 N ATOM 259 CA GLY A 20 -8.560 -6.602 8.745 1.00 0.00 C ATOM 260 C GLY A 20 -7.349 -6.019 8.014 1.00 0.00 C ATOM 261 O GLY A 20 -7.253 -4.806 7.835 1.00 0.00 O ATOM 0 H GLY A 20 -7.916 -8.454 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.198 -7.130 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.156 -5.794 9.170 1.00 0.00 H new ATOM 265 N LEU A 21 -6.454 -6.910 7.613 1.00 0.00 N ATOM 266 CA LEU A 21 -5.254 -6.499 6.906 1.00 0.00 C ATOM 267 C LEU A 21 -4.275 -5.866 7.897 1.00 0.00 C ATOM 268 O LEU A 21 -4.139 -6.334 9.026 1.00 0.00 O ATOM 269 CB LEU A 21 -5.610 -5.590 5.728 1.00 0.00 C ATOM 270 CG LEU A 21 -6.776 -6.053 4.852 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.699 -4.884 4.506 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.270 -6.774 3.601 1.00 0.00 C ATOM 0 H LEU A 21 -6.536 -7.915 7.765 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.754 -7.364 6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.845 -4.599 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.727 -5.484 5.097 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.366 -6.772 5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.519 -5.240 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.101 -4.454 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.136 -4.124 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.119 -7.092 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.644 -6.098 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.686 -7.646 3.895 1.00 0.00 H new ATOM 284 N GLY A 22 -3.619 -4.810 7.439 1.00 0.00 N ATOM 285 CA GLY A 22 -2.657 -4.107 8.271 1.00 0.00 C ATOM 286 C GLY A 22 -1.882 -3.069 7.457 1.00 0.00 C ATOM 287 O GLY A 22 -0.671 -3.190 7.281 1.00 0.00 O ATOM 0 H GLY A 22 -3.735 -4.424 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.174 -3.616 9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.962 -4.821 8.712 1.00 0.00 H new ATOM 291 N MET A 23 -2.614 -2.071 6.983 1.00 0.00 N ATOM 292 CA MET A 23 -2.011 -1.012 6.192 1.00 0.00 C ATOM 293 C MET A 23 -2.576 0.355 6.584 1.00 0.00 C ATOM 294 O MET A 23 -3.791 0.546 6.604 1.00 0.00 O ATOM 295 CB MET A 23 -2.278 -1.268 4.707 1.00 0.00 C ATOM 296 CG MET A 23 -0.974 -1.543 3.955 1.00 0.00 C ATOM 297 SD MET A 23 -1.257 -1.468 2.195 1.00 0.00 S ATOM 298 CE MET A 23 -2.930 -2.086 2.123 1.00 0.00 C ATOM 0 H MET A 23 -3.618 -1.974 7.132 1.00 0.00 H new ATOM 0 HA MET A 23 -0.938 -1.009 6.382 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.952 -2.117 4.596 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.779 -0.404 4.270 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.218 -0.812 4.242 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.587 -2.525 4.228 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.168 -2.374 1.099 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.026 -2.954 2.775 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.620 -1.308 2.451 1.00 0.00 H new ATOM 308 N GLY A 24 -1.667 1.271 6.886 1.00 0.00 N ATOM 309 CA GLY A 24 -2.060 2.614 7.276 1.00 0.00 C ATOM 310 C GLY A 24 -2.002 3.571 6.083 1.00 0.00 C ATOM 311 O GLY A 24 -0.985 4.224 5.856 1.00 0.00 O ATOM 0 H GLY A 24 -0.660 1.109 6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.071 2.597 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.403 2.974 8.068 1.00 0.00 H new ATOM 315 N LEU A 25 -3.106 3.623 5.353 1.00 0.00 N ATOM 316 CA LEU A 25 -3.194 4.489 4.189 1.00 0.00 C ATOM 317 C LEU A 25 -3.474 5.922 4.645 1.00 0.00 C ATOM 318 O LEU A 25 -4.329 6.149 5.500 1.00 0.00 O ATOM 319 CB LEU A 25 -4.223 3.947 3.195 1.00 0.00 C ATOM 320 CG LEU A 25 -4.080 2.471 2.818 1.00 0.00 C ATOM 321 CD1 LEU A 25 -2.609 2.093 2.633 1.00 0.00 C ATOM 322 CD2 LEU A 25 -4.778 1.574 3.842 1.00 0.00 C ATOM 0 H LEU A 25 -3.948 3.079 5.545 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.245 4.505 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.218 4.100 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.166 4.541 2.283 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.576 2.313 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.535 1.039 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.174 2.700 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.068 2.270 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.661 0.530 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.332 1.728 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.838 1.823 3.881 1.00 0.00 H new ATOM 334 N ILE A 26 -2.738 6.852 4.054 1.00 0.00 N ATOM 335 CA ILE A 26 -2.897 8.256 4.389 1.00 0.00 C ATOM 336 C ILE A 26 -3.276 9.037 3.129 1.00 0.00 C ATOM 337 O ILE A 26 -2.959 8.618 2.017 1.00 0.00 O ATOM 338 CB ILE A 26 -1.642 8.786 5.086 1.00 0.00 C ATOM 339 CG1 ILE A 26 -1.904 10.153 5.723 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.453 8.821 4.124 1.00 0.00 C ATOM 341 CD1 ILE A 26 -1.244 10.252 7.100 1.00 0.00 C ATOM 0 H ILE A 26 -2.030 6.660 3.345 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.710 8.387 5.103 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.384 8.099 5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.520 10.940 5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.978 10.314 5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.426 9.202 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.251 7.814 3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.686 9.472 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.446 11.233 7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.648 9.479 7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.167 10.115 6.998 1.00 0.00 H new ATOM 353 N ASP A 27 -3.949 10.157 3.346 1.00 0.00 N ATOM 354 CA ASP A 27 -4.375 11.000 2.241 1.00 0.00 C ATOM 355 C ASP A 27 -3.151 11.680 1.623 1.00 0.00 C ATOM 356 O ASP A 27 -2.467 12.457 2.286 1.00 0.00 O ATOM 357 CB ASP A 27 -5.331 12.094 2.720 1.00 0.00 C ATOM 358 CG ASP A 27 -5.696 13.141 1.666 1.00 0.00 C ATOM 359 OD1 ASP A 27 -5.260 12.957 0.509 1.00 0.00 O ATOM 360 OD2 ASP A 27 -6.403 14.101 2.040 1.00 0.00 O ATOM 0 H ASP A 27 -4.210 10.501 4.270 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.884 10.369 1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.248 11.624 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.881 12.601 3.573 1.00 0.00 H new ATOM 365 N GLY A 28 -2.913 11.361 0.359 1.00 0.00 N ATOM 366 CA GLY A 28 -1.784 11.931 -0.357 1.00 0.00 C ATOM 367 C GLY A 28 -1.682 13.437 -0.109 1.00 0.00 C ATOM 368 O GLY A 28 -0.586 13.996 -0.103 1.00 0.00 O ATOM 0 H GLY A 28 -3.483 10.715 -0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.863 11.443 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.892 11.741 -1.425 1.00 0.00 H new ATOM 372 N MET A 29 -2.839 14.052 0.090 1.00 0.00 N ATOM 373 CA MET A 29 -2.893 15.483 0.338 1.00 0.00 C ATOM 374 C MET A 29 -2.350 15.819 1.728 1.00 0.00 C ATOM 375 O MET A 29 -1.709 16.852 1.914 1.00 0.00 O ATOM 376 CB MET A 29 -4.340 15.966 0.224 1.00 0.00 C ATOM 377 CG MET A 29 -4.889 15.725 -1.184 1.00 0.00 C ATOM 378 SD MET A 29 -5.261 17.284 -1.969 1.00 0.00 S ATOM 379 CE MET A 29 -4.476 17.029 -3.552 1.00 0.00 C ATOM 0 H MET A 29 -3.746 13.586 0.085 1.00 0.00 H new ATOM 0 HA MET A 29 -2.273 15.986 -0.405 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.960 15.445 0.954 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.392 17.028 0.462 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.160 15.174 -1.778 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.788 15.111 -1.133 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.489 17.960 -4.119 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.445 16.711 -3.400 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.015 16.260 -4.106 1.00 0.00 H new ATOM 389 N HIS A 30 -2.627 14.928 2.668 1.00 0.00 N ATOM 390 CA HIS A 30 -2.175 15.117 4.036 1.00 0.00 C ATOM 391 C HIS A 30 -0.645 15.123 4.074 1.00 0.00 C ATOM 392 O HIS A 30 -0.042 15.878 4.835 1.00 0.00 O ATOM 393 CB HIS A 30 -2.787 14.065 4.962 1.00 0.00 C ATOM 394 CG HIS A 30 -4.033 14.528 5.678 1.00 0.00 C ATOM 395 ND1 HIS A 30 -4.671 13.766 6.642 1.00 0.00 N ATOM 396 CD2 HIS A 30 -4.751 15.682 5.562 1.00 0.00 C ATOM 397 CE1 HIS A 30 -5.724 14.440 7.079 1.00 0.00 C ATOM 398 NE2 HIS A 30 -5.773 15.627 6.408 1.00 0.00 N ATOM 0 H HIS A 30 -3.159 14.072 2.509 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.517 16.084 4.405 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.025 13.176 4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.043 13.770 5.702 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.526 16.501 4.895 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.421 14.108 7.834 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.478 16.353 6.535 1.00 0.00 H new ATOM 406 N THR A 31 -0.061 14.271 3.244 1.00 0.00 N ATOM 407 CA THR A 31 1.386 14.168 3.173 1.00 0.00 C ATOM 408 C THR A 31 1.960 15.296 2.315 1.00 0.00 C ATOM 409 O THR A 31 1.270 15.837 1.452 1.00 0.00 O ATOM 410 CB THR A 31 1.736 12.772 2.655 1.00 0.00 C ATOM 411 OG1 THR A 31 0.815 12.556 1.589 1.00 0.00 O ATOM 412 CG2 THR A 31 1.402 11.671 3.664 1.00 0.00 C ATOM 0 H THR A 31 -0.564 13.646 2.615 1.00 0.00 H new ATOM 0 HA THR A 31 1.839 14.288 4.157 1.00 0.00 H new ATOM 0 HB THR A 31 2.798 12.732 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.691 13.390 1.090 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.670 10.701 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.963 11.838 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.334 11.689 3.882 1.00 0.00 H new ATOM 420 N HIS A 32 3.217 15.619 2.581 1.00 0.00 N ATOM 421 CA HIS A 32 3.892 16.674 1.844 1.00 0.00 C ATOM 422 C HIS A 32 3.606 16.518 0.349 1.00 0.00 C ATOM 423 O HIS A 32 3.634 17.495 -0.398 1.00 0.00 O ATOM 424 CB HIS A 32 5.388 16.688 2.162 1.00 0.00 C ATOM 425 CG HIS A 32 5.907 18.032 2.614 1.00 0.00 C ATOM 426 ND1 HIS A 32 6.600 18.209 3.799 1.00 0.00 N ATOM 427 CD2 HIS A 32 5.827 19.261 2.027 1.00 0.00 C ATOM 428 CE1 HIS A 32 6.917 19.491 3.911 1.00 0.00 C ATOM 429 NE2 HIS A 32 6.437 20.141 2.812 1.00 0.00 N ATOM 0 H HIS A 32 3.786 15.168 3.297 1.00 0.00 H new ATOM 0 HA HIS A 32 3.505 17.644 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.591 15.951 2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.940 16.376 1.276 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.349 19.481 1.084 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.460 19.942 4.729 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.531 21.139 2.624 1.00 0.00 H new ATOM 437 N LEU A 33 3.337 15.282 -0.044 1.00 0.00 N ATOM 438 CA LEU A 33 3.046 14.985 -1.437 1.00 0.00 C ATOM 439 C LEU A 33 2.018 15.989 -1.963 1.00 0.00 C ATOM 440 O LEU A 33 2.106 16.431 -3.108 1.00 0.00 O ATOM 441 CB LEU A 33 2.616 13.525 -1.595 1.00 0.00 C ATOM 442 CG LEU A 33 2.791 12.923 -2.991 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.224 12.428 -3.199 1.00 0.00 C ATOM 444 CD2 LEU A 33 1.762 11.820 -3.245 1.00 0.00 C ATOM 0 H LEU A 33 3.314 14.474 0.578 1.00 0.00 H new ATOM 0 HA LEU A 33 3.943 15.097 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.183 12.921 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.566 13.444 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 33 2.611 13.707 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.321 12.005 -4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.917 13.262 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.456 11.664 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.908 11.409 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.886 11.029 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.757 12.235 -3.167 1.00 0.00 H new ATOM 456 N GLY A 34 1.066 16.320 -1.102 1.00 0.00 N ATOM 457 CA GLY A 34 0.023 17.263 -1.466 1.00 0.00 C ATOM 458 C GLY A 34 -0.683 16.831 -2.753 1.00 0.00 C ATOM 459 O GLY A 34 -1.162 17.669 -3.514 1.00 0.00 O ATOM 0 H GLY A 34 0.996 15.952 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.703 17.338 -0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.455 18.255 -1.599 1.00 0.00 H new ATOM 463 N ALA A 35 -0.724 15.522 -2.956 1.00 0.00 N ATOM 464 CA ALA A 35 -1.364 14.968 -4.137 1.00 0.00 C ATOM 465 C ALA A 35 -2.511 14.051 -3.708 1.00 0.00 C ATOM 466 O ALA A 35 -2.487 13.493 -2.612 1.00 0.00 O ATOM 467 CB ALA A 35 -0.321 14.239 -4.988 1.00 0.00 C ATOM 0 H ALA A 35 -0.325 14.829 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.789 15.762 -4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.801 13.823 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.456 14.941 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.125 13.433 -4.405 1.00 0.00 H new ATOM 473 N PRO A 36 -3.513 13.920 -4.618 1.00 0.00 N ATOM 474 CA PRO A 36 -4.667 13.080 -4.345 1.00 0.00 C ATOM 475 C PRO A 36 -4.310 11.598 -4.474 1.00 0.00 C ATOM 476 O PRO A 36 -3.420 11.236 -5.242 1.00 0.00 O ATOM 477 CB PRO A 36 -5.723 13.526 -5.343 1.00 0.00 C ATOM 478 CG PRO A 36 -4.975 14.270 -6.437 1.00 0.00 C ATOM 479 CD PRO A 36 -3.575 14.566 -5.926 1.00 0.00 C ATOM 0 HA PRO A 36 -5.033 13.187 -3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.261 12.670 -5.751 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.462 14.171 -4.867 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.931 13.669 -7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.492 15.195 -6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.816 14.169 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.401 15.639 -5.846 1.00 0.00 H new ATOM 487 N GLY A 37 -5.022 10.782 -3.712 1.00 0.00 N ATOM 488 CA GLY A 37 -4.791 9.347 -3.732 1.00 0.00 C ATOM 489 C GLY A 37 -4.428 8.831 -2.339 1.00 0.00 C ATOM 490 O GLY A 37 -4.139 9.617 -1.437 1.00 0.00 O ATOM 0 H GLY A 37 -5.759 11.087 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.684 8.836 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.988 9.114 -4.431 1.00 0.00 H new ATOM 494 N LEU A 38 -4.453 7.513 -2.206 1.00 0.00 N ATOM 495 CA LEU A 38 -4.130 6.882 -0.937 1.00 0.00 C ATOM 496 C LEU A 38 -2.761 6.208 -1.042 1.00 0.00 C ATOM 497 O LEU A 38 -2.505 5.457 -1.982 1.00 0.00 O ATOM 498 CB LEU A 38 -5.252 5.933 -0.510 1.00 0.00 C ATOM 499 CG LEU A 38 -6.393 6.562 0.292 1.00 0.00 C ATOM 500 CD1 LEU A 38 -5.853 7.370 1.474 1.00 0.00 C ATOM 501 CD2 LEU A 38 -7.299 7.403 -0.610 1.00 0.00 C ATOM 0 H LEU A 38 -4.692 6.864 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.058 7.629 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.673 5.474 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.816 5.130 0.085 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.004 5.758 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.685 7.806 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.283 6.715 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.206 8.166 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.102 7.839 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.715 8.200 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.726 6.770 -1.388 1.00 0.00 H new ATOM 513 N TYR A 39 -1.917 6.500 -0.063 1.00 0.00 N ATOM 514 CA TYR A 39 -0.580 5.932 -0.034 1.00 0.00 C ATOM 515 C TYR A 39 -0.306 5.245 1.306 1.00 0.00 C ATOM 516 O TYR A 39 -0.839 5.653 2.337 1.00 0.00 O ATOM 517 CB TYR A 39 0.383 7.110 -0.196 1.00 0.00 C ATOM 518 CG TYR A 39 0.127 7.955 -1.445 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.994 8.756 -1.519 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.018 7.917 -2.498 1.00 0.00 C ATOM 521 CE1 TYR A 39 -1.235 9.552 -2.694 1.00 0.00 C ATOM 522 CE2 TYR A 39 0.778 8.713 -3.674 1.00 0.00 C ATOM 523 CZ TYR A 39 -0.337 9.491 -3.714 1.00 0.00 C ATOM 524 OH TYR A 39 -0.564 10.242 -4.825 1.00 0.00 O ATOM 0 H TYR A 39 -2.133 7.122 0.716 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.463 5.186 -0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.310 7.749 0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.404 6.730 -0.230 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.691 8.786 -0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.896 7.290 -2.440 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.109 10.183 -2.764 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.467 8.693 -4.505 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.501 10.528 -4.841 1.00 0.00 H new ATOM 534 N ILE A 40 0.525 4.215 1.247 1.00 0.00 N ATOM 535 CA ILE A 40 0.876 3.468 2.443 1.00 0.00 C ATOM 536 C ILE A 40 1.718 4.353 3.363 1.00 0.00 C ATOM 537 O ILE A 40 2.773 4.845 2.963 1.00 0.00 O ATOM 538 CB ILE A 40 1.554 2.148 2.070 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.666 1.318 1.141 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.962 1.368 3.321 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.255 -0.077 0.920 1.00 0.00 C ATOM 0 H ILE A 40 0.965 3.880 0.390 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.021 3.194 2.998 1.00 0.00 H new ATOM 0 HB ILE A 40 2.468 2.377 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.333 1.231 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.559 1.827 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.441 0.434 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.659 1.964 3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.077 1.149 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.604 -0.646 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.244 0.013 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.338 -0.593 1.877 1.00 0.00 H new ATOM 553 N GLN A 41 1.222 4.529 4.579 1.00 0.00 N ATOM 554 CA GLN A 41 1.915 5.347 5.559 1.00 0.00 C ATOM 555 C GLN A 41 2.546 4.463 6.637 1.00 0.00 C ATOM 556 O GLN A 41 3.567 4.822 7.221 1.00 0.00 O ATOM 557 CB GLN A 41 0.971 6.379 6.180 1.00 0.00 C ATOM 558 CG GLN A 41 1.726 7.312 7.128 1.00 0.00 C ATOM 559 CD GLN A 41 2.908 7.975 6.419 1.00 0.00 C ATOM 560 OE1 GLN A 41 3.933 7.365 6.163 1.00 0.00 O ATOM 561 NE2 GLN A 41 2.710 9.255 6.118 1.00 0.00 N ATOM 0 H GLN A 41 0.348 4.119 4.908 1.00 0.00 H new ATOM 0 HA GLN A 41 2.711 5.892 5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.495 6.963 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.175 5.869 6.723 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.049 8.077 7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.084 6.749 7.990 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.828 9.705 6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.440 9.786 5.644 1.00 0.00 H new ATOM 570 N THR A 42 1.911 3.323 6.869 1.00 0.00 N ATOM 571 CA THR A 42 2.397 2.385 7.866 1.00 0.00 C ATOM 572 C THR A 42 1.996 0.956 7.494 1.00 0.00 C ATOM 573 O THR A 42 1.198 0.749 6.581 1.00 0.00 O ATOM 574 CB THR A 42 1.868 2.829 9.231 1.00 0.00 C ATOM 575 OG1 THR A 42 0.589 3.387 8.942 1.00 0.00 O ATOM 576 CG2 THR A 42 2.662 4.000 9.814 1.00 0.00 C ATOM 0 H THR A 42 1.064 3.028 6.383 1.00 0.00 H new ATOM 0 HA THR A 42 3.486 2.383 7.909 1.00 0.00 H new ATOM 0 HB THR A 42 1.900 1.988 9.924 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.173 3.699 9.773 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.245 4.276 10.783 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.705 3.707 9.937 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.602 4.853 9.138 1.00 0.00 H new ATOM 584 N LEU A 43 2.567 0.007 8.221 1.00 0.00 N ATOM 585 CA LEU A 43 2.278 -1.396 7.980 1.00 0.00 C ATOM 586 C LEU A 43 2.259 -2.146 9.313 1.00 0.00 C ATOM 587 O LEU A 43 3.233 -2.110 10.064 1.00 0.00 O ATOM 588 CB LEU A 43 3.262 -1.978 6.962 1.00 0.00 C ATOM 589 CG LEU A 43 2.998 -1.625 5.497 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.310 -1.442 4.732 1.00 0.00 C ATOM 591 CD2 LEU A 43 2.090 -2.665 4.837 1.00 0.00 C ATOM 0 H LEU A 43 3.229 0.182 8.977 1.00 0.00 H new ATOM 0 HA LEU A 43 1.289 -1.510 7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.265 -1.640 7.222 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.256 -3.064 7.060 1.00 0.00 H new ATOM 0 HG LEU A 43 2.471 -0.671 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.094 -1.192 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.887 -0.637 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.885 -2.367 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.918 -2.390 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.567 -3.644 4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.137 -2.703 5.364 1.00 0.00 H new ATOM 603 N LEU A 44 1.140 -2.807 9.568 1.00 0.00 N ATOM 604 CA LEU A 44 0.981 -3.564 10.798 1.00 0.00 C ATOM 605 C LEU A 44 1.930 -4.764 10.780 1.00 0.00 C ATOM 606 O LEU A 44 2.387 -5.182 9.717 1.00 0.00 O ATOM 607 CB LEU A 44 -0.487 -3.944 11.008 1.00 0.00 C ATOM 608 CG LEU A 44 -1.199 -3.251 12.171 1.00 0.00 C ATOM 609 CD1 LEU A 44 -0.814 -1.772 12.248 1.00 0.00 C ATOM 610 CD2 LEU A 44 -2.714 -3.445 12.080 1.00 0.00 C ATOM 0 H LEU A 44 0.334 -2.834 8.943 1.00 0.00 H new ATOM 0 HA LEU A 44 1.255 -2.954 11.659 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.033 -3.724 10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.544 -5.021 11.163 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.870 -3.718 13.099 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.334 -1.304 13.083 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.262 -1.683 12.395 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.095 -1.274 11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.196 -2.943 12.919 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.079 -3.022 11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.947 -4.509 12.112 1.00 0.00 H new ATOM 622 N PRO A 45 2.205 -5.297 12.000 1.00 0.00 N ATOM 623 CA PRO A 45 3.091 -6.441 12.134 1.00 0.00 C ATOM 624 C PRO A 45 2.396 -7.729 11.690 1.00 0.00 C ATOM 625 O PRO A 45 2.560 -8.166 10.551 1.00 0.00 O ATOM 626 CB PRO A 45 3.492 -6.458 13.601 1.00 0.00 C ATOM 627 CG PRO A 45 2.458 -5.612 14.325 1.00 0.00 C ATOM 628 CD PRO A 45 1.681 -4.828 13.280 1.00 0.00 C ATOM 0 HA PRO A 45 3.971 -6.368 11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.506 -7.476 13.990 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.494 -6.051 13.737 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.786 -6.245 14.905 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.943 -4.934 15.027 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.610 -5.013 13.361 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.829 -3.755 13.399 1.00 0.00 H new ATOM 636 N GLY A 46 1.634 -8.301 12.610 1.00 0.00 N ATOM 637 CA GLY A 46 0.913 -9.530 12.327 1.00 0.00 C ATOM 638 C GLY A 46 -0.216 -9.285 11.325 1.00 0.00 C ATOM 639 O GLY A 46 -1.382 -9.542 11.622 1.00 0.00 O ATOM 0 H GLY A 46 1.500 -7.936 13.553 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.601 -10.276 11.930 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.502 -9.936 13.251 1.00 0.00 H new ATOM 643 N SER A 47 0.169 -8.790 10.157 1.00 0.00 N ATOM 644 CA SER A 47 -0.796 -8.508 9.109 1.00 0.00 C ATOM 645 C SER A 47 -0.341 -9.143 7.793 1.00 0.00 C ATOM 646 O SER A 47 0.813 -9.545 7.661 1.00 0.00 O ATOM 647 CB SER A 47 -0.991 -7.001 8.931 1.00 0.00 C ATOM 648 OG SER A 47 -0.047 -6.444 8.020 1.00 0.00 O ATOM 0 H SER A 47 1.137 -8.577 9.914 1.00 0.00 H new ATOM 0 HA SER A 47 -1.753 -8.939 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.001 -6.806 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.897 -6.507 9.898 1.00 0.00 H new ATOM 0 HG SER A 47 0.700 -6.054 8.521 1.00 0.00 H new ATOM 654 N PRO A 48 -1.298 -9.216 6.829 1.00 0.00 N ATOM 655 CA PRO A 48 -1.007 -9.795 5.529 1.00 0.00 C ATOM 656 C PRO A 48 -0.171 -8.838 4.677 1.00 0.00 C ATOM 657 O PRO A 48 0.697 -9.271 3.920 1.00 0.00 O ATOM 658 CB PRO A 48 -2.367 -10.099 4.921 1.00 0.00 C ATOM 659 CG PRO A 48 -3.367 -9.258 5.696 1.00 0.00 C ATOM 660 CD PRO A 48 -2.676 -8.749 6.951 1.00 0.00 C ATOM 0 HA PRO A 48 -0.404 -10.701 5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.385 -9.849 3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.603 -11.160 5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.716 -8.424 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.243 -9.851 5.957 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.722 -7.662 7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.149 -9.142 7.851 1.00 0.00 H new ATOM 668 N ALA A 49 -0.462 -7.554 4.827 1.00 0.00 N ATOM 669 CA ALA A 49 0.252 -6.532 4.081 1.00 0.00 C ATOM 670 C ALA A 49 1.754 -6.680 4.332 1.00 0.00 C ATOM 671 O ALA A 49 2.516 -6.962 3.408 1.00 0.00 O ATOM 672 CB ALA A 49 -0.273 -5.151 4.477 1.00 0.00 C ATOM 0 H ALA A 49 -1.183 -7.198 5.455 1.00 0.00 H new ATOM 0 HA ALA A 49 0.084 -6.649 3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.263 -4.384 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.338 -5.088 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.119 -4.995 5.545 1.00 0.00 H new ATOM 678 N ALA A 50 2.134 -6.482 5.585 1.00 0.00 N ATOM 679 CA ALA A 50 3.532 -6.589 5.969 1.00 0.00 C ATOM 680 C ALA A 50 4.068 -7.960 5.549 1.00 0.00 C ATOM 681 O ALA A 50 5.223 -8.081 5.145 1.00 0.00 O ATOM 682 CB ALA A 50 3.669 -6.346 7.473 1.00 0.00 C ATOM 0 H ALA A 50 1.499 -6.248 6.348 1.00 0.00 H new ATOM 0 HA ALA A 50 4.128 -5.831 5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.717 -6.426 7.761 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.302 -5.349 7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.086 -7.089 8.016 1.00 0.00 H new ATOM 688 N ALA A 51 3.202 -8.957 5.658 1.00 0.00 N ATOM 689 CA ALA A 51 3.574 -10.314 5.295 1.00 0.00 C ATOM 690 C ALA A 51 4.027 -10.340 3.833 1.00 0.00 C ATOM 691 O ALA A 51 5.026 -10.976 3.500 1.00 0.00 O ATOM 692 CB ALA A 51 2.396 -11.254 5.557 1.00 0.00 C ATOM 0 H ALA A 51 2.244 -8.852 5.992 1.00 0.00 H new ATOM 0 HA ALA A 51 4.408 -10.660 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.675 -12.272 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.132 -11.221 6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.540 -10.940 4.959 1.00 0.00 H new ATOM 698 N ASP A 52 3.271 -9.640 3.000 1.00 0.00 N ATOM 699 CA ASP A 52 3.583 -9.574 1.583 1.00 0.00 C ATOM 700 C ASP A 52 5.050 -9.178 1.405 1.00 0.00 C ATOM 701 O ASP A 52 5.813 -9.888 0.752 1.00 0.00 O ATOM 702 CB ASP A 52 2.721 -8.525 0.877 1.00 0.00 C ATOM 703 CG ASP A 52 2.476 -8.784 -0.611 1.00 0.00 C ATOM 704 OD1 ASP A 52 1.864 -9.832 -0.911 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.905 -7.928 -1.414 1.00 0.00 O ATOM 0 H ASP A 52 2.443 -9.114 3.280 1.00 0.00 H new ATOM 0 HA ASP A 52 3.386 -10.554 1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.758 -8.467 1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.198 -7.551 0.987 1.00 0.00 H new ATOM 710 N GLY A 53 5.400 -8.046 1.997 1.00 0.00 N ATOM 711 CA GLY A 53 6.762 -7.546 1.912 1.00 0.00 C ATOM 712 C GLY A 53 6.845 -6.337 0.978 1.00 0.00 C ATOM 713 O GLY A 53 7.210 -5.243 1.405 1.00 0.00 O ATOM 0 H GLY A 53 4.764 -7.460 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.114 -7.267 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.421 -8.335 1.550 1.00 0.00 H new ATOM 717 N ARG A 54 6.501 -6.575 -0.279 1.00 0.00 N ATOM 718 CA ARG A 54 6.532 -5.519 -1.276 1.00 0.00 C ATOM 719 C ARG A 54 5.948 -4.227 -0.700 1.00 0.00 C ATOM 720 O ARG A 54 6.608 -3.189 -0.700 1.00 0.00 O ATOM 721 CB ARG A 54 5.741 -5.916 -2.524 1.00 0.00 C ATOM 722 CG ARG A 54 6.493 -5.524 -3.798 1.00 0.00 C ATOM 723 CD ARG A 54 6.842 -4.034 -3.792 1.00 0.00 C ATOM 724 NE ARG A 54 7.951 -3.770 -4.735 1.00 0.00 N ATOM 725 CZ ARG A 54 7.813 -3.742 -6.068 1.00 0.00 C ATOM 726 NH1 ARG A 54 6.613 -3.962 -6.622 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.876 -3.495 -6.846 1.00 0.00 N ATOM 0 H ARG A 54 6.199 -7.484 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 54 7.573 -5.358 -1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.563 -6.991 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.765 -5.431 -2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.405 -6.115 -3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.882 -5.755 -4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.968 -3.446 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.127 -3.723 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 54 8.878 -3.599 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.805 -4.151 -6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.508 -3.941 -7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.789 -3.328 -6.424 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.772 -3.474 -7.860 1.00 0.00 H new ATOM 741 N LEU A 55 4.717 -4.334 -0.224 1.00 0.00 N ATOM 742 CA LEU A 55 4.036 -3.187 0.354 1.00 0.00 C ATOM 743 C LEU A 55 5.030 -2.377 1.189 1.00 0.00 C ATOM 744 O LEU A 55 5.388 -2.777 2.296 1.00 0.00 O ATOM 745 CB LEU A 55 2.799 -3.635 1.135 1.00 0.00 C ATOM 746 CG LEU A 55 1.617 -4.125 0.295 1.00 0.00 C ATOM 747 CD1 LEU A 55 0.365 -4.295 1.157 1.00 0.00 C ATOM 748 CD2 LEU A 55 1.371 -3.200 -0.898 1.00 0.00 C ATOM 0 H LEU A 55 4.173 -5.197 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 55 3.667 -2.528 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.093 -4.435 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.461 -2.802 1.751 1.00 0.00 H new ATOM 0 HG LEU A 55 1.867 -5.107 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.460 -4.644 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.561 -5.024 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.101 -3.338 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.526 -3.571 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.151 -2.194 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.260 -3.174 -1.528 1.00 0.00 H new ATOM 760 N SER A 56 5.448 -1.253 0.627 1.00 0.00 N ATOM 761 CA SER A 56 6.394 -0.383 1.305 1.00 0.00 C ATOM 762 C SER A 56 5.731 0.956 1.633 1.00 0.00 C ATOM 763 O SER A 56 4.731 1.325 1.019 1.00 0.00 O ATOM 764 CB SER A 56 7.647 -0.161 0.456 1.00 0.00 C ATOM 765 OG SER A 56 7.333 0.008 -0.924 1.00 0.00 O ATOM 0 H SER A 56 5.149 -0.924 -0.291 1.00 0.00 H new ATOM 0 HA SER A 56 6.699 -0.868 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.179 0.719 0.817 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.320 -1.010 0.573 1.00 0.00 H new ATOM 0 HG SER A 56 8.159 0.149 -1.433 1.00 0.00 H new ATOM 771 N LEU A 57 6.315 1.649 2.600 1.00 0.00 N ATOM 772 CA LEU A 57 5.793 2.939 3.017 1.00 0.00 C ATOM 773 C LEU A 57 6.008 3.957 1.895 1.00 0.00 C ATOM 774 O LEU A 57 7.106 4.064 1.350 1.00 0.00 O ATOM 775 CB LEU A 57 6.407 3.359 4.354 1.00 0.00 C ATOM 776 CG LEU A 57 6.194 2.394 5.522 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.330 3.118 6.863 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.852 1.669 5.396 1.00 0.00 C ATOM 0 H LEU A 57 7.145 1.341 3.107 1.00 0.00 H new ATOM 0 HA LEU A 57 4.719 2.877 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.479 3.495 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.996 4.330 4.631 1.00 0.00 H new ATOM 0 HG LEU A 57 6.975 1.635 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.174 2.409 7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.328 3.550 6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.585 3.911 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.725 0.989 6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.043 2.399 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.831 1.102 4.466 1.00 0.00 H new ATOM 790 N GLY A 58 4.942 4.680 1.583 1.00 0.00 N ATOM 791 CA GLY A 58 5.000 5.686 0.536 1.00 0.00 C ATOM 792 C GLY A 58 4.258 5.216 -0.717 1.00 0.00 C ATOM 793 O GLY A 58 3.865 6.030 -1.552 1.00 0.00 O ATOM 0 H GLY A 58 4.033 4.589 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.561 6.616 0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.040 5.899 0.289 1.00 0.00 H new ATOM 797 N ASP A 59 4.089 3.905 -0.810 1.00 0.00 N ATOM 798 CA ASP A 59 3.401 3.318 -1.947 1.00 0.00 C ATOM 799 C ASP A 59 2.124 4.112 -2.231 1.00 0.00 C ATOM 800 O ASP A 59 1.659 4.871 -1.382 1.00 0.00 O ATOM 801 CB ASP A 59 3.002 1.869 -1.661 1.00 0.00 C ATOM 802 CG ASP A 59 4.086 0.830 -1.954 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.072 1.211 -2.622 1.00 0.00 O ATOM 804 OD2 ASP A 59 3.905 -0.322 -1.504 1.00 0.00 O ATOM 0 H ASP A 59 4.417 3.233 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 59 4.078 3.344 -2.801 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.715 1.787 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.119 1.628 -2.253 1.00 0.00 H new ATOM 809 N ARG A 60 1.594 3.910 -3.428 1.00 0.00 N ATOM 810 CA ARG A 60 0.380 4.598 -3.834 1.00 0.00 C ATOM 811 C ARG A 60 -0.601 3.611 -4.472 1.00 0.00 C ATOM 812 O ARG A 60 -0.248 2.897 -5.409 1.00 0.00 O ATOM 813 CB ARG A 60 0.688 5.716 -4.832 1.00 0.00 C ATOM 814 CG ARG A 60 -0.593 6.424 -5.275 1.00 0.00 C ATOM 815 CD ARG A 60 -0.443 6.999 -6.685 1.00 0.00 C ATOM 816 NE ARG A 60 -1.709 7.637 -7.109 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.801 8.538 -8.097 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.704 8.911 -8.769 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.992 9.065 -8.414 1.00 0.00 N ATOM 0 H ARG A 60 1.983 3.280 -4.130 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.067 5.036 -2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.368 6.437 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.198 5.302 -5.702 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.427 5.723 -5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.830 7.225 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.366 7.729 -6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.174 6.206 -7.383 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.564 7.375 -6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.202 8.509 -8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.775 9.597 -9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.828 8.780 -7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.062 9.751 -9.166 1.00 0.00 H new ATOM 833 N ILE A 61 -1.814 3.604 -3.938 1.00 0.00 N ATOM 834 CA ILE A 61 -2.848 2.717 -4.443 1.00 0.00 C ATOM 835 C ILE A 61 -3.490 3.343 -5.682 1.00 0.00 C ATOM 836 O ILE A 61 -3.768 4.541 -5.704 1.00 0.00 O ATOM 837 CB ILE A 61 -3.849 2.377 -3.337 1.00 0.00 C ATOM 838 CG1 ILE A 61 -3.129 2.052 -2.027 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.784 1.246 -3.772 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.225 0.828 -2.186 1.00 0.00 C ATOM 0 H ILE A 61 -2.103 4.198 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.416 1.766 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.468 3.255 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.534 2.909 -1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.862 1.868 -1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.485 1.024 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.336 1.552 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.197 0.356 -3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.725 0.619 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.827 -0.033 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.478 1.025 -2.955 1.00 0.00 H new ATOM 852 N LEU A 62 -3.708 2.505 -6.685 1.00 0.00 N ATOM 853 CA LEU A 62 -4.312 2.961 -7.925 1.00 0.00 C ATOM 854 C LEU A 62 -5.697 2.329 -8.075 1.00 0.00 C ATOM 855 O LEU A 62 -6.605 2.940 -8.637 1.00 0.00 O ATOM 856 CB LEU A 62 -3.380 2.688 -9.107 1.00 0.00 C ATOM 857 CG LEU A 62 -1.986 3.313 -9.021 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.175 3.021 -10.285 1.00 0.00 C ATOM 859 CD2 LEU A 62 -2.075 4.813 -8.730 1.00 0.00 C ATOM 0 H LEU A 62 -3.477 1.512 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.455 4.041 -7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.267 1.609 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.863 3.049 -10.015 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.456 2.854 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.189 3.476 -10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.067 1.943 -10.407 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.690 3.435 -11.152 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.071 5.233 -8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.630 5.306 -9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.587 4.970 -7.781 1.00 0.00 H new ATOM 871 N GLU A 63 -5.816 1.113 -7.563 1.00 0.00 N ATOM 872 CA GLU A 63 -7.075 0.391 -7.633 1.00 0.00 C ATOM 873 C GLU A 63 -7.212 -0.556 -6.438 1.00 0.00 C ATOM 874 O GLU A 63 -6.214 -1.048 -5.915 1.00 0.00 O ATOM 875 CB GLU A 63 -7.198 -0.372 -8.954 1.00 0.00 C ATOM 876 CG GLU A 63 -7.328 0.593 -10.134 1.00 0.00 C ATOM 877 CD GLU A 63 -7.946 -0.105 -11.347 1.00 0.00 C ATOM 878 OE1 GLU A 63 -8.012 -1.352 -11.311 1.00 0.00 O ATOM 879 OE2 GLU A 63 -8.338 0.625 -12.283 1.00 0.00 O ATOM 0 H GLU A 63 -5.061 0.609 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.889 1.115 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.324 -1.008 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.067 -1.029 -8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.945 1.444 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.346 0.986 -10.397 1.00 0.00 H new ATOM 886 N VAL A 64 -8.456 -0.781 -6.042 1.00 0.00 N ATOM 887 CA VAL A 64 -8.736 -1.660 -4.919 1.00 0.00 C ATOM 888 C VAL A 64 -9.795 -2.685 -5.331 1.00 0.00 C ATOM 889 O VAL A 64 -10.968 -2.346 -5.476 1.00 0.00 O ATOM 890 CB VAL A 64 -9.145 -0.835 -3.698 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.174 -1.584 -2.849 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.923 -0.448 -2.863 1.00 0.00 C ATOM 0 H VAL A 64 -9.281 -0.370 -6.478 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.841 -2.214 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.611 0.083 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.447 -0.975 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.062 -1.785 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.746 -2.526 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.242 0.138 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.416 -1.350 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.239 0.144 -3.471 1.00 0.00 H new ATOM 902 N ASN A 65 -9.343 -3.918 -5.507 1.00 0.00 N ATOM 903 CA ASN A 65 -10.237 -4.994 -5.899 1.00 0.00 C ATOM 904 C ASN A 65 -10.844 -4.674 -7.266 1.00 0.00 C ATOM 905 O ASN A 65 -11.824 -5.296 -7.675 1.00 0.00 O ATOM 906 CB ASN A 65 -11.382 -5.150 -4.897 1.00 0.00 C ATOM 907 CG ASN A 65 -10.982 -6.076 -3.746 1.00 0.00 C ATOM 908 OD1 ASN A 65 -10.243 -7.032 -3.913 1.00 0.00 O ATOM 909 ND2 ASN A 65 -11.510 -5.739 -2.573 1.00 0.00 N ATOM 0 H ASN A 65 -8.369 -4.196 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.659 -5.918 -5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.660 -4.173 -4.502 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.260 -5.551 -5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.304 -6.294 -1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.121 -4.925 -2.504 1.00 0.00 H new ATOM 916 N GLY A 66 -10.238 -3.704 -7.935 1.00 0.00 N ATOM 917 CA GLY A 66 -10.707 -3.294 -9.248 1.00 0.00 C ATOM 918 C GLY A 66 -11.622 -2.072 -9.146 1.00 0.00 C ATOM 919 O GLY A 66 -12.644 -1.998 -9.827 1.00 0.00 O ATOM 0 H GLY A 66 -9.426 -3.190 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.855 -3.062 -9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.244 -4.117 -9.720 1.00 0.00 H new ATOM 923 N SER A 67 -11.221 -1.143 -8.290 1.00 0.00 N ATOM 924 CA SER A 67 -11.992 0.073 -8.091 1.00 0.00 C ATOM 925 C SER A 67 -11.102 1.298 -8.306 1.00 0.00 C ATOM 926 O SER A 67 -10.319 1.663 -7.431 1.00 0.00 O ATOM 927 CB SER A 67 -12.614 0.108 -6.693 1.00 0.00 C ATOM 928 OG SER A 67 -13.963 -0.350 -6.697 1.00 0.00 O ATOM 0 H SER A 67 -10.373 -1.208 -7.727 1.00 0.00 H new ATOM 0 HA SER A 67 -12.802 0.088 -8.820 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.023 -0.511 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.578 1.126 -6.306 1.00 0.00 H new ATOM 0 HG SER A 67 -14.220 -0.618 -5.790 1.00 0.00 H new ATOM 934 N SER A 68 -11.251 1.899 -9.478 1.00 0.00 N ATOM 935 CA SER A 68 -10.470 3.076 -9.820 1.00 0.00 C ATOM 936 C SER A 68 -10.401 4.025 -8.621 1.00 0.00 C ATOM 937 O SER A 68 -11.423 4.547 -8.179 1.00 0.00 O ATOM 938 CB SER A 68 -11.062 3.796 -11.033 1.00 0.00 C ATOM 939 OG SER A 68 -12.388 4.257 -10.787 1.00 0.00 O ATOM 0 H SER A 68 -11.901 1.593 -10.202 1.00 0.00 H new ATOM 0 HA SER A 68 -9.461 2.754 -10.079 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.428 4.642 -11.297 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.066 3.121 -11.889 1.00 0.00 H new ATOM 0 HG SER A 68 -12.495 4.451 -9.832 1.00 0.00 H new ATOM 945 N LEU A 69 -9.186 4.218 -8.129 1.00 0.00 N ATOM 946 CA LEU A 69 -8.971 5.095 -6.991 1.00 0.00 C ATOM 947 C LEU A 69 -8.207 6.340 -7.448 1.00 0.00 C ATOM 948 O LEU A 69 -7.094 6.592 -6.990 1.00 0.00 O ATOM 949 CB LEU A 69 -8.285 4.336 -5.853 1.00 0.00 C ATOM 950 CG LEU A 69 -8.902 4.509 -4.464 1.00 0.00 C ATOM 951 CD1 LEU A 69 -8.137 3.695 -3.419 1.00 0.00 C ATOM 952 CD2 LEU A 69 -8.992 5.989 -4.084 1.00 0.00 C ATOM 0 H LEU A 69 -8.341 3.782 -8.498 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.924 5.436 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.285 3.274 -6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.243 4.653 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.920 4.121 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.596 3.836 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.169 2.639 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.100 4.030 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.434 6.084 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.993 6.425 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.613 6.514 -4.810 1.00 0.00 H new ATOM 964 N LEU A 70 -8.836 7.084 -8.346 1.00 0.00 N ATOM 965 CA LEU A 70 -8.230 8.296 -8.870 1.00 0.00 C ATOM 966 C LEU A 70 -8.646 9.486 -8.003 1.00 0.00 C ATOM 967 O LEU A 70 -7.901 9.904 -7.118 1.00 0.00 O ATOM 968 CB LEU A 70 -8.569 8.467 -10.352 1.00 0.00 C ATOM 969 CG LEU A 70 -7.834 7.538 -11.320 1.00 0.00 C ATOM 970 CD1 LEU A 70 -8.476 7.573 -12.708 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.341 7.868 -11.370 1.00 0.00 C ATOM 0 H LEU A 70 -9.759 6.871 -8.724 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.143 8.230 -8.821 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.641 8.316 -10.479 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.356 9.497 -10.636 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.925 6.517 -10.949 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.934 6.904 -13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.515 7.251 -12.637 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.437 8.589 -13.101 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.842 7.193 -12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.207 8.897 -11.704 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.909 7.750 -10.376 1.00 0.00 H new ATOM 983 N GLY A 71 -9.834 9.997 -8.287 1.00 0.00 N ATOM 984 CA GLY A 71 -10.359 11.130 -7.544 1.00 0.00 C ATOM 985 C GLY A 71 -11.251 10.665 -6.392 1.00 0.00 C ATOM 986 O GLY A 71 -12.248 11.312 -6.073 1.00 0.00 O ATOM 0 H GLY A 71 -10.449 9.647 -9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.535 11.726 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.929 11.775 -8.213 1.00 0.00 H new ATOM 990 N LEU A 72 -10.862 9.546 -5.798 1.00 0.00 N ATOM 991 CA LEU A 72 -11.614 8.987 -4.688 1.00 0.00 C ATOM 992 C LEU A 72 -10.929 9.362 -3.373 1.00 0.00 C ATOM 993 O LEU A 72 -9.772 9.010 -3.149 1.00 0.00 O ATOM 994 CB LEU A 72 -11.804 7.480 -4.875 1.00 0.00 C ATOM 995 CG LEU A 72 -13.047 7.053 -5.659 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.246 5.538 -5.587 1.00 0.00 C ATOM 997 CD2 LEU A 72 -14.285 7.817 -5.183 1.00 0.00 C ATOM 0 H LEU A 72 -10.035 9.011 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.618 9.410 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.925 7.083 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.842 7.014 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.894 7.309 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.136 5.261 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.376 5.036 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.368 5.236 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.154 7.495 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.453 7.615 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.131 8.886 -5.328 1.00 0.00 H new ATOM 1009 N GLY A 73 -11.673 10.071 -2.536 1.00 0.00 N ATOM 1010 CA GLY A 73 -11.151 10.497 -1.249 1.00 0.00 C ATOM 1011 C GLY A 73 -10.860 9.294 -0.350 1.00 0.00 C ATOM 1012 O GLY A 73 -11.019 8.148 -0.768 1.00 0.00 O ATOM 0 H GLY A 73 -12.633 10.361 -2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.239 11.075 -1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.870 11.155 -0.761 1.00 0.00 H new ATOM 1016 N TYR A 74 -10.438 9.595 0.870 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.122 8.553 1.831 1.00 0.00 C ATOM 1018 C TYR A 74 -11.375 7.761 2.212 1.00 0.00 C ATOM 1019 O TYR A 74 -11.479 6.574 1.908 1.00 0.00 O ATOM 1020 CB TYR A 74 -9.591 9.271 3.073 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.089 8.330 4.170 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -9.974 7.497 4.822 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -7.750 8.315 4.506 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -9.501 6.611 5.855 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -7.278 7.429 5.539 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.177 6.620 6.162 1.00 0.00 C ATOM 1027 OH TYR A 74 -7.730 5.784 7.136 1.00 0.00 O ATOM 0 H TYR A 74 -10.308 10.546 1.214 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.400 7.852 1.413 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.778 9.934 2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.382 9.900 3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.021 7.509 4.558 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.057 8.967 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.183 5.954 6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.234 7.407 5.813 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.763 5.898 7.247 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.294 8.450 2.872 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.535 7.826 3.297 1.00 0.00 C ATOM 1039 C LEU A 75 -14.121 7.021 2.135 1.00 0.00 C ATOM 1040 O LEU A 75 -14.809 6.024 2.350 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.495 8.874 3.864 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.289 9.247 5.334 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -12.808 9.480 5.638 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -15.150 10.451 5.720 1.00 0.00 C ATOM 0 H LEU A 75 -12.204 9.435 3.123 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.349 7.124 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.408 9.780 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.514 8.508 3.742 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.615 8.408 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.689 9.744 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.246 8.571 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.432 10.292 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.985 10.695 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.878 11.306 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -16.202 10.211 5.565 1.00 0.00 H new ATOM 1056 N ARG A 76 -13.826 7.484 0.929 1.00 0.00 N ATOM 1057 CA ARG A 76 -14.315 6.820 -0.267 1.00 0.00 C ATOM 1058 C ARG A 76 -13.524 5.535 -0.522 1.00 0.00 C ATOM 1059 O ARG A 76 -14.108 4.473 -0.733 1.00 0.00 O ATOM 1060 CB ARG A 76 -14.200 7.732 -1.490 1.00 0.00 C ATOM 1061 CG ARG A 76 -15.506 8.490 -1.733 1.00 0.00 C ATOM 1062 CD ARG A 76 -16.626 7.534 -2.149 1.00 0.00 C ATOM 1063 NE ARG A 76 -17.541 7.301 -1.009 1.00 0.00 N ATOM 1064 CZ ARG A 76 -18.530 6.397 -1.013 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -18.739 5.636 -2.096 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -19.312 6.254 0.067 1.00 0.00 N ATOM 0 H ARG A 76 -13.255 8.311 0.755 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.366 6.578 -0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -13.385 8.441 -1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.951 7.138 -2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.795 9.023 -0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.356 9.240 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.179 7.952 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.202 6.588 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.411 7.864 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.145 5.745 -2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.492 4.948 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.154 6.833 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -20.065 5.566 0.064 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.206 5.674 -0.493 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.329 4.538 -0.718 1.00 0.00 C ATOM 1082 C ALA A 77 -11.431 3.578 0.469 1.00 0.00 C ATOM 1083 O ALA A 77 -11.740 2.400 0.295 1.00 0.00 O ATOM 1084 CB ALA A 77 -9.900 5.033 -0.946 1.00 0.00 C ATOM 0 H ALA A 77 -11.725 6.556 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.631 3.991 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.242 4.180 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.876 5.688 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.562 5.584 -0.069 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.164 4.116 1.650 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.222 3.322 2.865 1.00 0.00 C ATOM 1092 C VAL A 78 -12.425 2.380 2.797 1.00 0.00 C ATOM 1093 O VAL A 78 -12.329 1.215 3.182 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.251 4.240 4.089 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -12.643 4.840 4.293 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.785 3.496 5.343 1.00 0.00 C ATOM 0 H VAL A 78 -10.907 5.093 1.791 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.329 2.703 2.959 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.557 5.061 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.635 5.488 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.921 5.422 3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.367 4.038 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.815 4.171 6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.443 2.647 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.765 3.140 5.197 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.531 2.918 2.304 1.00 0.00 N ATOM 1107 CA ASP A 79 -14.752 2.140 2.180 1.00 0.00 C ATOM 1108 C ASP A 79 -14.509 0.967 1.228 1.00 0.00 C ATOM 1109 O ASP A 79 -14.796 -0.181 1.565 1.00 0.00 O ATOM 1110 CB ASP A 79 -15.889 2.987 1.606 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.290 2.402 1.796 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.886 2.689 2.857 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -17.734 1.680 0.877 1.00 0.00 O ATOM 0 H ASP A 79 -13.607 3.884 1.986 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.031 1.789 3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.857 3.973 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.713 3.130 0.540 1.00 0.00 H new ATOM 1118 N LEU A 80 -13.984 1.296 0.057 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.699 0.284 -0.946 1.00 0.00 C ATOM 1120 C LEU A 80 -13.089 -0.944 -0.267 1.00 0.00 C ATOM 1121 O LEU A 80 -13.621 -2.048 -0.379 1.00 0.00 O ATOM 1122 CB LEU A 80 -12.829 0.866 -2.062 1.00 0.00 C ATOM 1123 CG LEU A 80 -13.442 2.019 -2.859 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -12.458 2.546 -3.906 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -14.776 1.605 -3.484 1.00 0.00 C ATOM 0 H LEU A 80 -13.749 2.249 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.620 -0.043 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.893 1.211 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.579 0.064 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.649 2.838 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.919 3.365 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.556 2.905 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.197 1.744 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.191 2.443 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.617 0.762 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.472 1.315 -2.697 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.982 -0.711 0.422 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.294 -1.784 1.119 1.00 0.00 C ATOM 1139 C ILE A 81 -12.221 -2.369 2.187 1.00 0.00 C ATOM 1140 O ILE A 81 -12.403 -3.583 2.258 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.954 -1.293 1.669 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.941 -1.087 0.541 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.425 -2.239 2.749 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.780 0.399 0.213 1.00 0.00 C ATOM 0 H ILE A 81 -11.544 0.206 0.513 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.051 -2.593 0.429 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.113 -0.323 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.977 -1.505 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.267 -1.626 -0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.471 -1.867 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -10.141 -2.292 3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.285 -3.233 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.055 0.517 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.740 0.808 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.430 0.931 1.098 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.781 -1.477 2.991 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.684 -1.889 4.052 1.00 0.00 C ATOM 1158 C ARG A 82 -14.658 -2.951 3.538 1.00 0.00 C ATOM 1159 O ARG A 82 -14.743 -4.043 4.097 1.00 0.00 O ATOM 1160 CB ARG A 82 -14.478 -0.698 4.593 1.00 0.00 C ATOM 1161 CG ARG A 82 -13.600 0.189 5.479 1.00 0.00 C ATOM 1162 CD ARG A 82 -14.187 0.309 6.887 1.00 0.00 C ATOM 1163 NE ARG A 82 -13.832 -0.885 7.687 1.00 0.00 N ATOM 1164 CZ ARG A 82 -14.419 -1.214 8.845 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -15.393 -0.443 9.346 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -14.032 -2.316 9.503 1.00 0.00 N ATOM 0 H ARG A 82 -12.627 -0.471 2.929 1.00 0.00 H new ATOM 0 HA ARG A 82 -13.080 -2.305 4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.873 -0.112 3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.334 -1.056 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.594 -0.228 5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.510 1.179 5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.808 1.208 7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.271 0.410 6.831 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.095 -1.495 7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.688 0.395 8.846 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.840 -0.694 10.228 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.291 -2.904 9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.479 -2.567 10.385 1.00 0.00 H new ATOM 1180 N HIS A 83 -15.368 -2.594 2.478 1.00 0.00 N ATOM 1181 CA HIS A 83 -16.332 -3.502 1.882 1.00 0.00 C ATOM 1182 C HIS A 83 -15.659 -4.307 0.769 1.00 0.00 C ATOM 1183 O HIS A 83 -16.285 -4.620 -0.243 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.569 -2.742 1.399 1.00 0.00 C ATOM 1185 CG HIS A 83 -18.225 -1.897 2.464 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -18.136 -0.516 2.487 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -18.983 -2.252 3.542 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -18.812 -0.071 3.536 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -19.335 -1.148 4.189 1.00 0.00 N ATOM 0 H HIS A 83 -15.295 -1.687 2.016 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.683 -4.209 2.634 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.286 -2.101 0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -18.297 -3.458 1.018 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -17.635 0.061 1.811 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -19.251 -3.260 3.821 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.928 0.963 3.824 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.391 -4.621 0.993 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.626 -5.383 0.021 1.00 0.00 C ATOM 1199 C GLY A 84 -14.136 -6.823 -0.071 1.00 0.00 C ATOM 1200 O GLY A 84 -15.330 -7.073 0.086 1.00 0.00 O ATOM 0 H GLY A 84 -13.875 -4.361 1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.695 -4.906 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.573 -5.384 0.302 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.206 -7.732 -0.324 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.546 -9.139 -0.439 1.00 0.00 C ATOM 1206 C GLY A 85 -12.466 -10.018 0.195 1.00 0.00 C ATOM 1207 O GLY A 85 -11.370 -9.545 0.490 1.00 0.00 O ATOM 0 H GLY A 85 -12.216 -7.521 -0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.504 -9.326 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.665 -9.403 -1.490 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.813 -11.283 0.385 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.887 -12.232 0.978 1.00 0.00 C ATOM 1213 C LYS A 86 -10.489 -12.003 0.401 1.00 0.00 C ATOM 1214 O LYS A 86 -9.492 -12.128 1.110 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.399 -13.663 0.800 1.00 0.00 C ATOM 1216 CG LYS A 86 -11.775 -14.601 1.835 1.00 0.00 C ATOM 1217 CD LYS A 86 -12.778 -15.666 2.285 1.00 0.00 C ATOM 1218 CE LYS A 86 -13.546 -15.207 3.525 1.00 0.00 C ATOM 1219 NZ LYS A 86 -12.886 -15.699 4.755 1.00 0.00 N ATOM 0 H LYS A 86 -13.723 -11.672 0.138 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.818 -12.074 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.485 -13.679 0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.163 -14.015 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.894 -15.082 1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.439 -14.025 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.478 -15.876 1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.253 -16.596 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.600 -14.118 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.571 -15.576 3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.420 -15.378 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.857 -16.739 4.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.916 -15.326 4.801 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.460 -11.670 -0.882 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.201 -11.422 -1.562 1.00 0.00 C ATOM 1235 C LYS A 87 -9.068 -9.925 -1.850 1.00 0.00 C ATOM 1236 O LYS A 87 -9.772 -9.389 -2.703 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.084 -12.301 -2.810 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.263 -13.559 -2.519 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.483 -14.619 -3.600 1.00 0.00 C ATOM 1240 CE LYS A 87 -7.550 -15.814 -3.394 1.00 0.00 C ATOM 1241 NZ LYS A 87 -6.274 -15.606 -4.115 1.00 0.00 N ATOM 0 H LYS A 87 -11.289 -11.566 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.362 -11.700 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.079 -12.583 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.616 -11.735 -3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.205 -13.303 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.543 -13.963 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.520 -14.955 -3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.309 -14.182 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.355 -15.952 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.032 -16.725 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.653 -16.426 -3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.464 -15.497 -5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.808 -14.748 -3.756 1.00 0.00 H new ATOM 1255 N MET A 88 -8.159 -9.294 -1.121 1.00 0.00 N ATOM 1256 CA MET A 88 -7.925 -7.870 -1.287 1.00 0.00 C ATOM 1257 C MET A 88 -6.839 -7.611 -2.333 1.00 0.00 C ATOM 1258 O MET A 88 -5.700 -8.047 -2.172 1.00 0.00 O ATOM 1259 CB MET A 88 -7.499 -7.263 0.052 1.00 0.00 C ATOM 1260 CG MET A 88 -8.629 -7.354 1.079 1.00 0.00 C ATOM 1261 SD MET A 88 -10.082 -6.520 0.464 1.00 0.00 S ATOM 1262 CE MET A 88 -9.367 -4.949 0.007 1.00 0.00 C ATOM 0 H MET A 88 -7.576 -9.743 -0.414 1.00 0.00 H new ATOM 0 HA MET A 88 -8.850 -7.406 -1.629 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.618 -7.784 0.428 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.216 -6.220 -0.091 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.860 -8.399 1.286 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.313 -6.905 2.020 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.161 -4.218 -0.145 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.705 -4.606 0.802 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.798 -5.063 -0.916 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.230 -6.903 -3.383 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.304 -6.581 -4.455 1.00 0.00 C ATOM 1274 C ARG A 89 -6.072 -5.070 -4.520 1.00 0.00 C ATOM 1275 O ARG A 89 -7.024 -4.293 -4.557 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.835 -7.067 -5.806 1.00 0.00 C ATOM 1277 CG ARG A 89 -6.454 -8.528 -6.051 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.898 -8.984 -7.443 1.00 0.00 C ATOM 1279 NE ARG A 89 -7.785 -10.164 -7.329 1.00 0.00 N ATOM 1280 CZ ARG A 89 -8.560 -10.619 -8.323 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -8.563 -9.997 -9.510 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -9.333 -11.697 -8.130 1.00 0.00 N ATOM 0 H ARG A 89 -8.176 -6.544 -3.514 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.363 -7.088 -4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.919 -6.961 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.433 -6.444 -6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.375 -8.648 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.916 -9.160 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.421 -8.173 -7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.026 -9.231 -8.049 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.808 -10.661 -6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.975 -9.177 -9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.153 -10.344 -10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.331 -12.171 -7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.923 -12.044 -8.886 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.799 -4.700 -4.532 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.430 -3.296 -4.592 1.00 0.00 C ATOM 1298 C PHE A 90 -3.405 -3.046 -5.700 1.00 0.00 C ATOM 1299 O PHE A 90 -2.428 -3.783 -5.826 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.801 -2.941 -3.243 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.641 -3.363 -2.035 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.910 -2.896 -1.894 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.117 -4.204 -1.104 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.689 -3.288 -0.773 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -4.896 -4.595 0.017 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.166 -4.129 0.159 1.00 0.00 C ATOM 0 H PHE A 90 -4.012 -5.348 -4.501 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.310 -2.689 -4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.821 -3.414 -3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.639 -1.864 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.325 -2.228 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.109 -4.574 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.697 -2.918 -0.661 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.480 -5.263 0.757 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.759 -4.427 1.011 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.663 -2.003 -6.476 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.775 -1.646 -7.570 1.00 0.00 C ATOM 1318 C LEU A 91 -1.775 -0.593 -7.087 1.00 0.00 C ATOM 1319 O LEU A 91 -2.031 0.605 -7.194 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.582 -1.212 -8.795 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.778 -0.962 -10.073 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.726 -2.053 -10.282 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.703 -0.819 -11.283 1.00 0.00 C ATOM 0 H LEU A 91 -4.474 -1.394 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.196 -2.513 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.329 -1.978 -9.003 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.122 -0.299 -8.545 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.245 -0.018 -9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.169 -1.851 -11.197 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.040 -2.064 -9.435 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.218 -3.022 -10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.107 -0.642 -12.178 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.283 -1.734 -11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.380 0.021 -11.126 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.658 -1.079 -6.566 1.00 0.00 N ATOM 1336 CA VAL A 92 0.380 -0.194 -6.066 1.00 0.00 C ATOM 1337 C VAL A 92 1.351 0.138 -7.201 1.00 0.00 C ATOM 1338 O VAL A 92 1.793 -0.753 -7.925 1.00 0.00 O ATOM 1339 CB VAL A 92 1.070 -0.828 -4.856 1.00 0.00 C ATOM 1340 CG1 VAL A 92 2.016 0.166 -4.181 1.00 0.00 C ATOM 1341 CG2 VAL A 92 0.042 -1.370 -3.860 1.00 0.00 C ATOM 0 H VAL A 92 -0.449 -2.074 -6.479 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.052 0.746 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 92 1.666 -1.668 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.493 -0.310 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.779 0.482 -4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.451 1.035 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.559 -1.815 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.593 -0.555 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.573 -2.127 -4.347 1.00 0.00 H new ATOM 1351 N ALA A 93 1.653 1.422 -7.321 1.00 0.00 N ATOM 1352 CA ALA A 93 2.563 1.883 -8.356 1.00 0.00 C ATOM 1353 C ALA A 93 3.958 2.072 -7.756 1.00 0.00 C ATOM 1354 O ALA A 93 4.101 2.655 -6.682 1.00 0.00 O ATOM 1355 CB ALA A 93 2.018 3.169 -8.980 1.00 0.00 C ATOM 0 H ALA A 93 1.284 2.158 -6.719 1.00 0.00 H new ATOM 0 HA ALA A 93 2.644 1.143 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.701 3.515 -9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.039 2.974 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.925 3.936 -8.211 1.00 0.00 H new ATOM 1361 N LYS A 94 4.950 1.569 -8.475 1.00 0.00 N ATOM 1362 CA LYS A 94 6.328 1.675 -8.027 1.00 0.00 C ATOM 1363 C LYS A 94 6.743 3.148 -8.012 1.00 0.00 C ATOM 1364 O LYS A 94 7.128 3.698 -9.043 1.00 0.00 O ATOM 1365 CB LYS A 94 7.238 0.788 -8.878 1.00 0.00 C ATOM 1366 CG LYS A 94 8.010 -0.204 -8.006 1.00 0.00 C ATOM 1367 CD LYS A 94 9.141 0.495 -7.249 1.00 0.00 C ATOM 1368 CE LYS A 94 8.607 1.222 -6.013 1.00 0.00 C ATOM 1369 NZ LYS A 94 9.637 1.264 -4.951 1.00 0.00 N ATOM 0 H LYS A 94 4.827 1.087 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 94 6.426 1.305 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.641 0.245 -9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.939 1.409 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.330 -0.676 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.421 -0.998 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.890 -0.238 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.638 1.207 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.310 2.236 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.715 0.716 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.258 1.761 -4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.901 0.294 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.477 1.767 -5.302 1.00 0.00 H new ATOM 1383 N SER A 95 6.650 3.744 -6.833 1.00 0.00 N ATOM 1384 CA SER A 95 7.011 5.142 -6.671 1.00 0.00 C ATOM 1385 C SER A 95 8.464 5.257 -6.207 1.00 0.00 C ATOM 1386 O SER A 95 9.027 4.301 -5.675 1.00 0.00 O ATOM 1387 CB SER A 95 6.080 5.840 -5.677 1.00 0.00 C ATOM 1388 OG SER A 95 5.304 6.861 -6.299 1.00 0.00 O ATOM 0 H SER A 95 6.330 3.284 -5.980 1.00 0.00 H new ATOM 0 HA SER A 95 6.904 5.636 -7.636 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.415 5.104 -5.225 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.671 6.274 -4.870 1.00 0.00 H new ATOM 0 HG SER A 95 4.360 6.742 -6.066 1.00 0.00 H new ATOM 1394 N ASP A 96 9.031 6.435 -6.425 1.00 0.00 N ATOM 1395 CA ASP A 96 10.408 6.687 -6.036 1.00 0.00 C ATOM 1396 C ASP A 96 10.464 6.978 -4.535 1.00 0.00 C ATOM 1397 O ASP A 96 9.433 7.204 -3.904 1.00 0.00 O ATOM 1398 CB ASP A 96 10.975 7.901 -6.774 1.00 0.00 C ATOM 1399 CG ASP A 96 11.673 7.584 -8.098 1.00 0.00 C ATOM 1400 OD1 ASP A 96 12.312 6.512 -8.161 1.00 0.00 O ATOM 1401 OD2 ASP A 96 11.552 8.422 -9.018 1.00 0.00 O ATOM 0 H ASP A 96 8.561 7.226 -6.866 1.00 0.00 H new ATOM 0 HA ASP A 96 10.996 5.805 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.163 8.602 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.684 8.407 -6.119 1.00 0.00 H new ATOM 1406 N VAL A 97 11.679 6.962 -4.007 1.00 0.00 N ATOM 1407 CA VAL A 97 11.883 7.221 -2.592 1.00 0.00 C ATOM 1408 C VAL A 97 11.322 8.601 -2.244 1.00 0.00 C ATOM 1409 O VAL A 97 10.722 8.783 -1.186 1.00 0.00 O ATOM 1410 CB VAL A 97 13.365 7.072 -2.241 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.670 7.694 -0.877 1.00 0.00 C ATOM 1412 CG2 VAL A 97 13.793 5.604 -2.283 1.00 0.00 C ATOM 0 H VAL A 97 12.532 6.774 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 97 11.345 6.490 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 97 13.943 7.611 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.730 7.575 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.421 8.755 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.077 7.196 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.850 5.526 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.205 5.033 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.629 5.206 -3.284 1.00 0.00 H new ATOM 1422 N GLU A 98 11.537 9.538 -3.155 1.00 0.00 N ATOM 1423 CA GLU A 98 11.060 10.897 -2.959 1.00 0.00 C ATOM 1424 C GLU A 98 9.588 10.888 -2.543 1.00 0.00 C ATOM 1425 O GLU A 98 9.215 11.511 -1.550 1.00 0.00 O ATOM 1426 CB GLU A 98 11.269 11.739 -4.219 1.00 0.00 C ATOM 1427 CG GLU A 98 12.751 11.807 -4.593 1.00 0.00 C ATOM 1428 CD GLU A 98 12.930 11.871 -6.112 1.00 0.00 C ATOM 1429 OE1 GLU A 98 13.030 10.783 -6.718 1.00 0.00 O ATOM 1430 OE2 GLU A 98 12.963 13.008 -6.631 1.00 0.00 O ATOM 0 H GLU A 98 12.035 9.383 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 98 11.641 11.353 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.701 11.311 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.885 12.746 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.206 12.684 -4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.270 10.934 -4.198 1.00 0.00 H new ATOM 1437 N THR A 99 8.790 10.174 -3.324 1.00 0.00 N ATOM 1438 CA THR A 99 7.367 10.075 -3.049 1.00 0.00 C ATOM 1439 C THR A 99 7.131 9.696 -1.586 1.00 0.00 C ATOM 1440 O THR A 99 6.146 10.119 -0.983 1.00 0.00 O ATOM 1441 CB THR A 99 6.762 9.079 -4.040 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.538 9.851 -5.217 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.363 8.617 -3.626 1.00 0.00 C ATOM 0 H THR A 99 9.102 9.659 -4.147 1.00 0.00 H new ATOM 0 HA THR A 99 6.870 11.035 -3.187 1.00 0.00 H new ATOM 0 HB THR A 99 7.419 8.214 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.148 9.281 -5.913 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.980 7.912 -4.363 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.414 8.132 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.698 9.478 -3.568 1.00 0.00 H new ATOM 1451 N ALA A 100 8.051 8.904 -1.057 1.00 0.00 N ATOM 1452 CA ALA A 100 7.956 8.463 0.324 1.00 0.00 C ATOM 1453 C ALA A 100 8.427 9.588 1.247 1.00 0.00 C ATOM 1454 O ALA A 100 7.824 9.833 2.291 1.00 0.00 O ATOM 1455 CB ALA A 100 8.767 7.179 0.508 1.00 0.00 C ATOM 0 H ALA A 100 8.867 8.556 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 100 6.922 8.234 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.695 6.849 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.373 6.403 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.811 7.369 0.259 1.00 0.00 H new ATOM 1461 N LYS A 101 9.501 10.242 0.830 1.00 0.00 N ATOM 1462 CA LYS A 101 10.060 11.336 1.606 1.00 0.00 C ATOM 1463 C LYS A 101 8.933 12.274 2.042 1.00 0.00 C ATOM 1464 O LYS A 101 8.829 12.621 3.218 1.00 0.00 O ATOM 1465 CB LYS A 101 11.173 12.034 0.823 1.00 0.00 C ATOM 1466 CG LYS A 101 12.490 11.263 0.936 1.00 0.00 C ATOM 1467 CD LYS A 101 13.417 11.585 -0.238 1.00 0.00 C ATOM 1468 CE LYS A 101 14.857 11.784 0.239 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.406 13.054 -0.286 1.00 0.00 N ATOM 0 H LYS A 101 9.999 10.035 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 101 10.530 10.958 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.886 12.120 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.307 13.048 1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.984 11.516 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.288 10.192 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.380 10.776 -0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.070 12.486 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.888 11.790 1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.475 10.949 -0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.384 13.174 0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.395 13.034 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.826 13.849 0.051 1.00 0.00 H new ATOM 1483 N LYS A 102 8.117 12.659 1.072 1.00 0.00 N ATOM 1484 CA LYS A 102 7.002 13.551 1.341 1.00 0.00 C ATOM 1485 C LYS A 102 6.006 12.849 2.267 1.00 0.00 C ATOM 1486 O LYS A 102 5.367 13.493 3.098 1.00 0.00 O ATOM 1487 CB LYS A 102 6.382 14.044 0.032 1.00 0.00 C ATOM 1488 CG LYS A 102 7.415 14.789 -0.817 1.00 0.00 C ATOM 1489 CD LYS A 102 7.327 14.365 -2.284 1.00 0.00 C ATOM 1490 CE LYS A 102 8.694 14.457 -2.964 1.00 0.00 C ATOM 1491 NZ LYS A 102 8.537 14.729 -4.411 1.00 0.00 N ATOM 0 H LYS A 102 8.206 12.369 0.098 1.00 0.00 H new ATOM 0 HA LYS A 102 7.346 14.445 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.987 13.197 -0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.541 14.703 0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.252 15.864 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.417 14.589 -0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.952 13.343 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.613 15.000 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.284 15.248 -2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.241 13.525 -2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.475 14.788 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.992 13.960 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.034 15.630 -4.542 1.00 0.00 H new ATOM 1505 N ILE A 103 5.906 11.540 2.093 1.00 0.00 N ATOM 1506 CA ILE A 103 4.999 10.744 2.902 1.00 0.00 C ATOM 1507 C ILE A 103 5.485 10.743 4.353 1.00 0.00 C ATOM 1508 O ILE A 103 4.678 10.710 5.282 1.00 0.00 O ATOM 1509 CB ILE A 103 4.836 9.344 2.307 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.079 9.398 0.978 1.00 0.00 C ATOM 1511 CG2 ILE A 103 4.172 8.397 3.307 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.567 9.395 1.209 1.00 0.00 C ATOM 0 H ILE A 103 6.439 11.010 1.403 1.00 0.00 H new ATOM 0 HA ILE A 103 4.001 11.183 2.899 1.00 0.00 H new ATOM 0 HB ILE A 103 5.828 8.945 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.365 10.295 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.358 8.544 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.068 7.409 2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.787 8.326 4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.187 8.780 3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.052 9.434 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.281 8.485 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.288 10.264 1.806 1.00 0.00 H new ATOM 1524 N HIS A 104 6.801 10.780 4.503 1.00 0.00 N ATOM 1525 CA HIS A 104 7.404 10.783 5.825 1.00 0.00 C ATOM 1526 C HIS A 104 7.170 12.140 6.492 1.00 0.00 C ATOM 1527 O HIS A 104 7.342 13.183 5.862 1.00 0.00 O ATOM 1528 CB HIS A 104 8.885 10.407 5.747 1.00 0.00 C ATOM 1529 CG HIS A 104 9.153 8.930 5.910 1.00 0.00 C ATOM 1530 ND1 HIS A 104 10.404 8.425 6.218 1.00 0.00 N ATOM 1531 CD2 HIS A 104 8.319 7.856 5.806 1.00 0.00 C ATOM 1532 CE1 HIS A 104 10.316 7.105 6.292 1.00 0.00 C ATOM 1533 NE2 HIS A 104 9.023 6.754 6.035 1.00 0.00 N ATOM 0 H HIS A 104 7.467 10.808 3.731 1.00 0.00 H new ATOM 0 HA HIS A 104 6.929 10.025 6.448 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.282 10.734 4.786 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.429 10.952 6.519 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.264 7.895 5.576 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.126 6.426 6.516 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.657 5.802 6.021 1.00 0.00 H new