USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 597 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 50 ASN : amide:sc= 1.98 K(o=2.7,f=-5.7!) USER MOD Set 1.2: A 55 THR OG1 : rot 85:sc= 0.686 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 170:sc= 2.43 (180deg=1.2) USER MOD Set 2.2: A 31 TYR OH : rot 30:sc= 1.07 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -78:sc= 0.772 USER MOD Single : A 10 THR OG1 : rot 117:sc= -0.112 USER MOD Single : A 11 THR OG1 : rot -170:sc= 0 USER MOD Single : A 12 SER OG : rot -38:sc= 0.121 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 24:sc= 0.261 USER MOD Single : A 25 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A 27 ASN : amide:sc= 1.07 K(o=1.1,f=-0.099) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.3! X(o=-1.3!,f=-1.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -78:sc= -0.0115 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc=-0.00656 (180deg=-0.152) USER MOD Single : A 65 SER OG : rot 180:sc= -0.83 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.319 X(o=-0.32,f=0.13) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 171:sc=-0.00898 (180deg=-0.125) USER MOD Single : A 78 LYS NZ :NH3+ -125:sc= 1.32 (180deg=-0.166) USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 1.2 (180deg=0.997) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.511 3.407 6.528 1.00 0.00 N ATOM 61 CA ALA A 5 6.860 3.892 5.202 1.00 0.00 C ATOM 62 C ALA A 5 5.738 3.651 4.189 1.00 0.00 C ATOM 63 O ALA A 5 5.647 4.345 3.174 1.00 0.00 O ATOM 64 CB ALA A 5 8.145 3.246 4.734 1.00 0.00 C ATOM 0 HA ALA A 5 7.005 4.970 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.397 3.616 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.949 3.491 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.016 2.164 4.696 1.00 0.00 H new ATOM 70 N LEU A 6 4.879 2.690 4.470 1.00 0.00 N ATOM 71 CA LEU A 6 3.806 2.365 3.562 1.00 0.00 C ATOM 72 C LEU A 6 2.479 2.687 4.174 1.00 0.00 C ATOM 73 O LEU A 6 2.147 2.182 5.253 1.00 0.00 O ATOM 74 CB LEU A 6 3.808 0.888 3.205 1.00 0.00 C ATOM 75 CG LEU A 6 5.091 0.318 2.667 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.913 -1.148 2.372 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.501 1.053 1.430 1.00 0.00 C ATOM 0 H LEU A 6 4.906 2.124 5.318 1.00 0.00 H new ATOM 0 HA LEU A 6 3.965 2.960 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.534 0.324 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.025 0.717 2.466 1.00 0.00 H new ATOM 0 HG LEU A 6 5.876 0.434 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.845 -1.557 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.641 -1.673 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.123 -1.277 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.431 0.632 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.722 0.956 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.649 2.107 1.665 1.00 0.00 H new ATOM 89 N THR A 7 1.739 3.507 3.514 1.00 0.00 N ATOM 90 CA THR A 7 0.407 3.801 3.912 1.00 0.00 C ATOM 91 C THR A 7 -0.515 3.023 2.975 1.00 0.00 C ATOM 92 O THR A 7 -0.587 3.318 1.775 1.00 0.00 O ATOM 93 CB THR A 7 0.160 5.311 3.798 1.00 0.00 C ATOM 94 OG1 THR A 7 1.222 5.990 4.494 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.171 5.697 4.427 1.00 0.00 C ATOM 0 H THR A 7 2.044 3.998 2.674 1.00 0.00 H new ATOM 0 HA THR A 7 0.222 3.514 4.947 1.00 0.00 H new ATOM 0 HB THR A 7 0.134 5.592 2.745 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.086 6.959 4.433 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.320 6.773 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.980 5.172 3.918 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.168 5.423 5.482 1.00 0.00 H new ATOM 103 N ILE A 8 -1.149 1.999 3.487 1.00 0.00 N ATOM 104 CA ILE A 8 -1.963 1.142 2.656 1.00 0.00 C ATOM 105 C ILE A 8 -3.444 1.340 2.930 1.00 0.00 C ATOM 106 O ILE A 8 -3.884 1.416 4.069 1.00 0.00 O ATOM 107 CB ILE A 8 -1.566 -0.365 2.783 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.111 -0.565 2.334 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.505 -1.252 1.961 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.359 -2.004 2.373 1.00 0.00 C ATOM 0 H ILE A 8 -1.119 1.737 4.472 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.769 1.438 1.625 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.658 -0.657 3.829 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.001 -0.186 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.539 0.035 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.206 -2.295 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.527 -1.129 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.451 -0.964 0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.396 -2.057 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.284 -2.384 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.264 -2.608 1.714 1.00 0.00 H new ATOM 122 N TYR A 9 -4.180 1.463 1.883 1.00 0.00 N ATOM 123 CA TYR A 9 -5.593 1.618 1.935 1.00 0.00 C ATOM 124 C TYR A 9 -6.242 0.246 1.761 1.00 0.00 C ATOM 125 O TYR A 9 -6.175 -0.346 0.677 1.00 0.00 O ATOM 126 CB TYR A 9 -6.022 2.583 0.822 1.00 0.00 C ATOM 127 CG TYR A 9 -5.444 3.978 0.960 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.097 4.953 1.701 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.240 4.316 0.356 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.561 6.222 1.837 1.00 0.00 C ATOM 131 CE2 TYR A 9 -3.704 5.575 0.486 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.364 6.524 1.226 1.00 0.00 C ATOM 133 OH TYR A 9 -3.821 7.777 1.360 1.00 0.00 O ATOM 0 H TYR A 9 -3.804 1.459 0.935 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.909 2.031 2.893 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.720 2.169 -0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.110 2.651 0.813 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.037 4.718 2.178 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.714 3.575 -0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.078 6.971 2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.767 5.817 0.007 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.284 8.400 0.761 1.00 0.00 H new ATOM 143 N THR A 10 -6.789 -0.290 2.843 1.00 0.00 N ATOM 144 CA THR A 10 -7.442 -1.588 2.831 1.00 0.00 C ATOM 145 C THR A 10 -8.768 -1.565 3.586 1.00 0.00 C ATOM 146 O THR A 10 -9.005 -0.671 4.405 1.00 0.00 O ATOM 147 CB THR A 10 -6.525 -2.680 3.429 1.00 0.00 C ATOM 148 OG1 THR A 10 -5.835 -2.173 4.592 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.522 -3.166 2.401 1.00 0.00 C ATOM 0 H THR A 10 -6.792 0.166 3.756 1.00 0.00 H new ATOM 0 HA THR A 10 -7.646 -1.825 1.787 1.00 0.00 H new ATOM 0 HB THR A 10 -7.150 -3.523 3.726 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.108 -2.684 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.888 -3.934 2.845 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.052 -3.584 1.545 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.904 -2.331 2.073 1.00 0.00 H new ATOM 157 N THR A 11 -9.630 -2.523 3.287 1.00 0.00 N ATOM 158 CA THR A 11 -10.902 -2.682 3.958 1.00 0.00 C ATOM 159 C THR A 11 -11.093 -4.151 4.291 1.00 0.00 C ATOM 160 O THR A 11 -10.268 -4.992 3.913 1.00 0.00 O ATOM 161 CB THR A 11 -12.085 -2.243 3.060 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.015 -2.915 1.788 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.103 -0.751 2.836 1.00 0.00 C ATOM 0 H THR A 11 -9.460 -3.219 2.561 1.00 0.00 H new ATOM 0 HA THR A 11 -10.891 -2.059 4.852 1.00 0.00 H new ATOM 0 HB THR A 11 -13.004 -2.517 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.667 -2.519 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.949 -0.489 2.201 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.196 -0.240 3.794 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.176 -0.445 2.351 1.00 0.00 H new ATOM 171 N SER A 12 -12.143 -4.458 4.997 1.00 0.00 N ATOM 172 CA SER A 12 -12.505 -5.822 5.294 1.00 0.00 C ATOM 173 C SER A 12 -13.368 -6.379 4.139 1.00 0.00 C ATOM 174 O SER A 12 -13.706 -7.573 4.101 1.00 0.00 O ATOM 175 CB SER A 12 -13.274 -5.866 6.631 1.00 0.00 C ATOM 176 OG SER A 12 -13.619 -7.195 7.022 1.00 0.00 O ATOM 0 H SER A 12 -12.781 -3.765 5.388 1.00 0.00 H new ATOM 0 HA SER A 12 -11.612 -6.439 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.666 -5.408 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.182 -5.270 6.543 1.00 0.00 H new ATOM 0 HG SER A 12 -13.868 -7.715 6.230 1.00 0.00 H new ATOM 182 N TRP A 13 -13.701 -5.511 3.196 1.00 0.00 N ATOM 183 CA TRP A 13 -14.582 -5.856 2.096 1.00 0.00 C ATOM 184 C TRP A 13 -13.883 -6.701 1.049 1.00 0.00 C ATOM 185 O TRP A 13 -14.498 -7.564 0.428 1.00 0.00 O ATOM 186 CB TRP A 13 -15.145 -4.600 1.430 1.00 0.00 C ATOM 187 CG TRP A 13 -15.881 -3.683 2.354 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.664 -4.034 3.407 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.930 -2.257 2.279 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.175 -2.920 4.003 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.745 -1.816 3.332 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.357 -1.313 1.432 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.003 -0.470 3.560 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.614 0.023 1.657 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.430 0.432 2.716 1.00 0.00 C ATOM 0 H TRP A 13 -13.367 -4.548 3.174 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.397 -6.440 2.524 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.324 -4.049 0.970 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -15.817 -4.901 0.626 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.854 -5.048 3.726 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.783 -2.914 4.822 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -14.723 -1.621 0.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.634 -0.151 4.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.178 0.765 1.005 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.610 1.486 2.868 1.00 0.00 H new ATOM 206 N CYS A 14 -12.616 -6.475 0.872 1.00 0.00 N ATOM 207 CA CYS A 14 -11.873 -7.154 -0.157 1.00 0.00 C ATOM 208 C CYS A 14 -11.240 -8.437 0.362 1.00 0.00 C ATOM 209 O CYS A 14 -11.210 -8.682 1.575 1.00 0.00 O ATOM 210 CB CYS A 14 -10.820 -6.206 -0.734 1.00 0.00 C ATOM 211 SG CYS A 14 -9.803 -5.343 0.526 1.00 0.00 S ATOM 0 H CYS A 14 -12.068 -5.821 1.430 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.561 -7.445 -0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.159 -6.773 -1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -11.320 -5.460 -1.352 1.00 0.00 H new ATOM 216 N GLY A 15 -10.786 -9.271 -0.544 1.00 0.00 N ATOM 217 CA GLY A 15 -10.120 -10.487 -0.171 1.00 0.00 C ATOM 218 C GLY A 15 -8.665 -10.462 -0.571 1.00 0.00 C ATOM 219 O GLY A 15 -7.784 -10.821 0.226 1.00 0.00 O ATOM 0 H GLY A 15 -10.869 -9.124 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.200 -10.632 0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.615 -11.335 -0.645 1.00 0.00 H new ATOM 223 N TYR A 16 -8.389 -9.974 -1.786 1.00 0.00 N ATOM 224 CA TYR A 16 -7.021 -9.927 -2.304 1.00 0.00 C ATOM 225 C TYR A 16 -6.123 -9.011 -1.471 1.00 0.00 C ATOM 226 O TYR A 16 -4.904 -9.205 -1.414 1.00 0.00 O ATOM 227 CB TYR A 16 -6.975 -9.558 -3.803 1.00 0.00 C ATOM 228 CG TYR A 16 -5.563 -9.474 -4.366 1.00 0.00 C ATOM 229 CD1 TYR A 16 -4.845 -10.617 -4.685 1.00 0.00 C ATOM 230 CD2 TYR A 16 -4.945 -8.249 -4.540 1.00 0.00 C ATOM 231 CE1 TYR A 16 -3.552 -10.535 -5.170 1.00 0.00 C ATOM 232 CE2 TYR A 16 -3.655 -8.153 -5.018 1.00 0.00 C ATOM 233 CZ TYR A 16 -2.959 -9.299 -5.335 1.00 0.00 C ATOM 234 OH TYR A 16 -1.658 -9.209 -5.824 1.00 0.00 O ATOM 0 H TYR A 16 -9.094 -9.608 -2.426 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.622 -10.937 -2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.539 -10.299 -4.369 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.473 -8.599 -3.948 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.303 -11.586 -4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.485 -7.346 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.008 -11.434 -5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.193 -7.185 -5.143 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.394 -8.267 -5.880 1.00 0.00 H new ATOM 244 N CYS A 17 -6.719 -8.038 -0.807 1.00 0.00 N ATOM 245 CA CYS A 17 -5.970 -7.158 0.075 1.00 0.00 C ATOM 246 C CYS A 17 -5.218 -7.960 1.144 1.00 0.00 C ATOM 247 O CYS A 17 -4.042 -7.721 1.393 1.00 0.00 O ATOM 248 CB CYS A 17 -6.887 -6.123 0.722 1.00 0.00 C ATOM 249 SG CYS A 17 -8.512 -6.756 1.190 1.00 0.00 S ATOM 0 H CYS A 17 -7.717 -7.836 -0.860 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.234 -6.628 -0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.396 -5.725 1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.020 -5.291 0.031 1.00 0.00 H new ATOM 254 N LEU A 18 -5.880 -8.982 1.695 1.00 0.00 N ATOM 255 CA LEU A 18 -5.284 -9.813 2.735 1.00 0.00 C ATOM 256 C LEU A 18 -4.224 -10.739 2.172 1.00 0.00 C ATOM 257 O LEU A 18 -3.295 -11.134 2.873 1.00 0.00 O ATOM 258 CB LEU A 18 -6.333 -10.617 3.521 1.00 0.00 C ATOM 259 CG LEU A 18 -7.316 -9.816 4.402 1.00 0.00 C ATOM 260 CD1 LEU A 18 -8.412 -9.153 3.595 1.00 0.00 C ATOM 261 CD2 LEU A 18 -7.901 -10.692 5.472 1.00 0.00 C ATOM 0 H LEU A 18 -6.829 -9.250 1.435 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.807 -9.126 3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.916 -11.201 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.807 -11.326 4.160 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.742 -9.017 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.075 -8.604 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.969 -8.464 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.983 -9.914 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.591 -10.109 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.436 -11.522 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.101 -11.082 6.101 1.00 0.00 H new ATOM 273 N ARG A 19 -4.344 -11.042 0.897 1.00 0.00 N ATOM 274 CA ARG A 19 -3.398 -11.915 0.213 1.00 0.00 C ATOM 275 C ARG A 19 -2.082 -11.164 0.038 1.00 0.00 C ATOM 276 O ARG A 19 -0.998 -11.740 0.114 1.00 0.00 O ATOM 277 CB ARG A 19 -3.950 -12.324 -1.156 1.00 0.00 C ATOM 278 CG ARG A 19 -5.382 -12.852 -1.123 1.00 0.00 C ATOM 279 CD ARG A 19 -5.535 -14.114 -0.304 1.00 0.00 C ATOM 280 NE ARG A 19 -4.844 -15.252 -0.903 1.00 0.00 N ATOM 281 CZ ARG A 19 -4.943 -16.508 -0.477 1.00 0.00 C ATOM 282 NH1 ARG A 19 -5.711 -16.801 0.570 1.00 0.00 N ATOM 283 NH2 ARG A 19 -4.284 -17.474 -1.107 1.00 0.00 N ATOM 0 H ARG A 19 -5.096 -10.694 0.302 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.238 -12.817 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.908 -11.464 -1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.302 -13.090 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.037 -12.081 -0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.714 -13.046 -2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.145 -13.943 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.594 -14.350 -0.199 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.242 -15.071 -1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.226 -16.061 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.785 -17.765 0.894 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.703 -17.252 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.358 -18.438 -0.782 1.00 0.00 H new ATOM 297 N LEU A 20 -2.195 -9.865 -0.179 1.00 0.00 N ATOM 298 CA LEU A 20 -1.032 -9.007 -0.302 1.00 0.00 C ATOM 299 C LEU A 20 -0.440 -8.763 1.090 1.00 0.00 C ATOM 300 O LEU A 20 0.783 -8.738 1.266 1.00 0.00 O ATOM 301 CB LEU A 20 -1.414 -7.675 -0.976 1.00 0.00 C ATOM 302 CG LEU A 20 -0.316 -6.588 -1.129 1.00 0.00 C ATOM 303 CD1 LEU A 20 0.692 -6.888 -2.251 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.949 -5.222 -1.315 1.00 0.00 C ATOM 0 H LEU A 20 -3.087 -9.380 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.285 -9.494 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.797 -7.903 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.237 -7.239 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 20 0.260 -6.594 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.430 -6.087 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.195 -7.833 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.166 -6.957 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.167 -4.470 -1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.570 -5.228 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.565 -4.985 -0.447 1.00 0.00 H new ATOM 316 N LYS A 21 -1.330 -8.608 2.077 1.00 0.00 N ATOM 317 CA LYS A 21 -0.945 -8.410 3.476 1.00 0.00 C ATOM 318 C LYS A 21 -0.048 -9.526 3.974 1.00 0.00 C ATOM 319 O LYS A 21 0.981 -9.260 4.607 1.00 0.00 O ATOM 320 CB LYS A 21 -2.172 -8.293 4.381 1.00 0.00 C ATOM 321 CG LYS A 21 -2.933 -6.977 4.251 1.00 0.00 C ATOM 322 CD LYS A 21 -4.249 -6.994 5.036 1.00 0.00 C ATOM 323 CE LYS A 21 -4.062 -7.343 6.509 1.00 0.00 C ATOM 324 NZ LYS A 21 -3.298 -6.320 7.240 1.00 0.00 N ATOM 0 H LYS A 21 -2.339 -8.617 1.926 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.387 -7.474 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.852 -9.115 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.856 -8.414 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.307 -6.160 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.141 -6.781 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.724 -6.016 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.927 -7.716 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.039 -7.465 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.549 -8.301 6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.343 -6.516 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.306 -6.338 6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.704 -5.382 7.050 1.00 0.00 H new ATOM 338 N THR A 22 -0.413 -10.761 3.680 1.00 0.00 N ATOM 339 CA THR A 22 0.377 -11.894 4.095 1.00 0.00 C ATOM 340 C THR A 22 1.735 -11.913 3.403 1.00 0.00 C ATOM 341 O THR A 22 2.758 -12.159 4.042 1.00 0.00 O ATOM 342 CB THR A 22 -0.381 -13.222 3.897 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.064 -13.217 2.628 1.00 0.00 O ATOM 344 CG2 THR A 22 -1.382 -13.431 5.011 1.00 0.00 C ATOM 0 H THR A 22 -1.254 -11.000 3.154 1.00 0.00 H new ATOM 0 HA THR A 22 0.559 -11.786 5.164 1.00 0.00 H new ATOM 0 HB THR A 22 0.342 -14.037 3.914 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.620 -12.589 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.908 -14.373 4.855 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.861 -13.460 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.100 -12.611 5.014 1.00 0.00 H new ATOM 352 N ALA A 23 1.746 -11.574 2.119 1.00 0.00 N ATOM 353 CA ALA A 23 2.975 -11.510 1.343 1.00 0.00 C ATOM 354 C ALA A 23 3.928 -10.472 1.928 1.00 0.00 C ATOM 355 O ALA A 23 5.087 -10.772 2.201 1.00 0.00 O ATOM 356 CB ALA A 23 2.669 -11.202 -0.117 1.00 0.00 C ATOM 0 H ALA A 23 0.907 -11.337 1.590 1.00 0.00 H new ATOM 0 HA ALA A 23 3.464 -12.483 1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.600 -11.158 -0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.031 -11.985 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.156 -10.243 -0.187 1.00 0.00 H new ATOM 362 N LEU A 24 3.421 -9.278 2.177 1.00 0.00 N ATOM 363 CA LEU A 24 4.234 -8.197 2.724 1.00 0.00 C ATOM 364 C LEU A 24 4.721 -8.528 4.131 1.00 0.00 C ATOM 365 O LEU A 24 5.880 -8.312 4.459 1.00 0.00 O ATOM 366 CB LEU A 24 3.466 -6.870 2.720 1.00 0.00 C ATOM 367 CG LEU A 24 2.987 -6.371 1.351 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.275 -5.041 1.481 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.138 -6.263 0.365 1.00 0.00 C ATOM 0 H LEU A 24 2.446 -9.028 2.010 1.00 0.00 H new ATOM 0 HA LEU A 24 5.107 -8.088 2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.597 -6.975 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.103 -6.103 3.161 1.00 0.00 H new ATOM 0 HG LEU A 24 2.281 -7.106 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.945 -4.707 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.411 -5.154 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.957 -4.303 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.763 -5.907 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.880 -5.562 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.598 -7.243 0.234 1.00 0.00 H new ATOM 381 N THR A 25 3.849 -9.098 4.936 1.00 0.00 N ATOM 382 CA THR A 25 4.185 -9.450 6.305 1.00 0.00 C ATOM 383 C THR A 25 5.234 -10.583 6.349 1.00 0.00 C ATOM 384 O THR A 25 6.171 -10.546 7.160 1.00 0.00 O ATOM 385 CB THR A 25 2.909 -9.826 7.093 1.00 0.00 C ATOM 386 OG1 THR A 25 1.984 -8.719 7.026 1.00 0.00 O ATOM 387 CG2 THR A 25 3.219 -10.129 8.553 1.00 0.00 C ATOM 0 H THR A 25 2.893 -9.330 4.665 1.00 0.00 H new ATOM 0 HA THR A 25 4.633 -8.579 6.784 1.00 0.00 H new ATOM 0 HB THR A 25 2.479 -10.723 6.648 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.681 -8.601 6.101 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.298 -10.389 9.074 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.917 -10.964 8.611 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.665 -9.251 9.020 1.00 0.00 H new ATOM 395 N ALA A 26 5.111 -11.541 5.438 1.00 0.00 N ATOM 396 CA ALA A 26 6.055 -12.655 5.348 1.00 0.00 C ATOM 397 C ALA A 26 7.399 -12.176 4.851 1.00 0.00 C ATOM 398 O ALA A 26 8.432 -12.755 5.153 1.00 0.00 O ATOM 399 CB ALA A 26 5.520 -13.733 4.434 1.00 0.00 C ATOM 0 H ALA A 26 4.363 -11.571 4.746 1.00 0.00 H new ATOM 0 HA ALA A 26 6.181 -13.073 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.236 -14.553 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.573 -14.104 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.365 -13.321 3.437 1.00 0.00 H new ATOM 405 N ASN A 27 7.374 -11.103 4.113 1.00 0.00 N ATOM 406 CA ASN A 27 8.574 -10.499 3.580 1.00 0.00 C ATOM 407 C ASN A 27 9.086 -9.395 4.498 1.00 0.00 C ATOM 408 O ASN A 27 9.982 -8.632 4.137 1.00 0.00 O ATOM 409 CB ASN A 27 8.337 -9.998 2.151 1.00 0.00 C ATOM 410 CG ASN A 27 8.363 -11.125 1.122 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.415 -11.476 0.588 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.224 -11.686 0.826 1.00 0.00 N ATOM 0 H ASN A 27 6.516 -10.614 3.859 1.00 0.00 H new ATOM 0 HA ASN A 27 9.353 -11.259 3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.374 -9.490 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.099 -9.261 1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.189 -12.436 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.368 -11.375 1.285 1.00 0.00 H new ATOM 419 N ARG A 28 8.494 -9.336 5.705 1.00 0.00 N ATOM 420 CA ARG A 28 8.877 -8.414 6.793 1.00 0.00 C ATOM 421 C ARG A 28 8.770 -6.946 6.387 1.00 0.00 C ATOM 422 O ARG A 28 9.488 -6.095 6.913 1.00 0.00 O ATOM 423 CB ARG A 28 10.291 -8.722 7.313 1.00 0.00 C ATOM 424 CG ARG A 28 10.466 -10.133 7.846 1.00 0.00 C ATOM 425 CD ARG A 28 11.847 -10.320 8.435 1.00 0.00 C ATOM 426 NE ARG A 28 12.079 -11.695 8.875 1.00 0.00 N ATOM 427 CZ ARG A 28 12.928 -12.069 9.832 1.00 0.00 C ATOM 428 NH1 ARG A 28 13.570 -11.153 10.562 1.00 0.00 N ATOM 429 NH2 ARG A 28 13.124 -13.363 10.071 1.00 0.00 N ATOM 0 H ARG A 28 7.715 -9.944 5.958 1.00 0.00 H new ATOM 0 HA ARG A 28 8.162 -8.580 7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.006 -8.559 6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.537 -8.014 8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.712 -10.335 8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.309 -10.852 7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.597 -10.047 7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.974 -9.644 9.280 1.00 0.00 H new ATOM 0 HE ARG A 28 11.546 -12.430 8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.412 -10.160 10.389 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.218 -11.446 11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.626 -14.064 9.523 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.773 -13.654 10.802 1.00 0.00 H new ATOM 443 N ILE A 29 7.853 -6.646 5.512 1.00 0.00 N ATOM 444 CA ILE A 29 7.656 -5.289 5.056 1.00 0.00 C ATOM 445 C ILE A 29 6.651 -4.593 5.983 1.00 0.00 C ATOM 446 O ILE A 29 5.531 -5.094 6.193 1.00 0.00 O ATOM 447 CB ILE A 29 7.159 -5.264 3.582 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.171 -5.996 2.676 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.977 -3.830 3.113 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.756 -6.100 1.222 1.00 0.00 C ATOM 0 H ILE A 29 7.221 -7.328 5.093 1.00 0.00 H new ATOM 0 HA ILE A 29 8.607 -4.757 5.087 1.00 0.00 H new ATOM 0 HB ILE A 29 6.197 -5.773 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.129 -5.478 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.329 -7.001 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.629 -3.826 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.243 -3.331 3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.929 -3.303 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.526 -6.629 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.815 -6.646 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.627 -5.100 0.808 1.00 0.00 H new ATOM 462 N ALA A 30 7.059 -3.476 6.554 1.00 0.00 N ATOM 463 CA ALA A 30 6.243 -2.747 7.504 1.00 0.00 C ATOM 464 C ALA A 30 5.309 -1.777 6.797 1.00 0.00 C ATOM 465 O ALA A 30 5.737 -0.978 5.952 1.00 0.00 O ATOM 466 CB ALA A 30 7.127 -2.007 8.500 1.00 0.00 C ATOM 0 H ALA A 30 7.967 -3.048 6.372 1.00 0.00 H new ATOM 0 HA ALA A 30 5.629 -3.467 8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.501 -1.463 9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.747 -2.724 9.039 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.766 -1.304 7.967 1.00 0.00 H new ATOM 472 N TYR A 31 4.048 -1.833 7.149 1.00 0.00 N ATOM 473 CA TYR A 31 3.048 -0.986 6.549 1.00 0.00 C ATOM 474 C TYR A 31 2.022 -0.590 7.593 1.00 0.00 C ATOM 475 O TYR A 31 1.873 -1.277 8.617 1.00 0.00 O ATOM 476 CB TYR A 31 2.357 -1.700 5.366 1.00 0.00 C ATOM 477 CG TYR A 31 1.576 -2.959 5.726 1.00 0.00 C ATOM 478 CD1 TYR A 31 2.184 -4.209 5.729 1.00 0.00 C ATOM 479 CD2 TYR A 31 0.223 -2.892 6.056 1.00 0.00 C ATOM 480 CE1 TYR A 31 1.469 -5.347 6.052 1.00 0.00 C ATOM 481 CE2 TYR A 31 -0.490 -4.022 6.380 1.00 0.00 C ATOM 482 CZ TYR A 31 0.133 -5.243 6.375 1.00 0.00 C ATOM 483 OH TYR A 31 -0.586 -6.372 6.704 1.00 0.00 O ATOM 0 H TYR A 31 3.686 -2.468 7.860 1.00 0.00 H new ATOM 0 HA TYR A 31 3.536 -0.091 6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.677 -0.996 4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.116 -1.962 4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.230 -4.292 5.475 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.275 -1.934 6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.954 -6.312 6.051 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.536 -3.948 6.637 1.00 0.00 H new ATOM 0 HH TYR A 31 0.010 -7.030 7.119 1.00 0.00 H new ATOM 493 N ASP A 32 1.338 0.491 7.353 1.00 0.00 N ATOM 494 CA ASP A 32 0.277 0.943 8.225 1.00 0.00 C ATOM 495 C ASP A 32 -0.949 1.174 7.372 1.00 0.00 C ATOM 496 O ASP A 32 -0.882 1.895 6.366 1.00 0.00 O ATOM 497 CB ASP A 32 0.688 2.226 8.958 1.00 0.00 C ATOM 498 CG ASP A 32 -0.318 2.674 10.003 1.00 0.00 C ATOM 499 OD1 ASP A 32 -0.514 1.946 11.015 1.00 0.00 O ATOM 500 OD2 ASP A 32 -0.925 3.763 9.849 1.00 0.00 O ATOM 0 H ASP A 32 1.497 1.092 6.544 1.00 0.00 H new ATOM 0 HA ASP A 32 0.066 0.194 8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.653 2.067 9.439 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.823 3.025 8.229 1.00 0.00 H new ATOM 505 N GLU A 33 -2.036 0.531 7.711 1.00 0.00 N ATOM 506 CA GLU A 33 -3.225 0.617 6.909 1.00 0.00 C ATOM 507 C GLU A 33 -4.177 1.684 7.425 1.00 0.00 C ATOM 508 O GLU A 33 -4.241 1.959 8.628 1.00 0.00 O ATOM 509 CB GLU A 33 -3.893 -0.751 6.769 1.00 0.00 C ATOM 510 CG GLU A 33 -4.287 -1.427 8.066 1.00 0.00 C ATOM 511 CD GLU A 33 -4.817 -2.809 7.814 1.00 0.00 C ATOM 512 OE1 GLU A 33 -4.004 -3.769 7.757 1.00 0.00 O ATOM 513 OE2 GLU A 33 -6.033 -2.969 7.619 1.00 0.00 O ATOM 0 H GLU A 33 -2.121 -0.059 8.539 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.932 0.931 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.786 -0.637 6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.216 -1.412 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.424 -1.480 8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.044 -0.831 8.575 1.00 0.00 H new ATOM 520 N VAL A 34 -4.875 2.304 6.517 1.00 0.00 N ATOM 521 CA VAL A 34 -5.766 3.411 6.826 1.00 0.00 C ATOM 522 C VAL A 34 -7.120 2.912 7.356 1.00 0.00 C ATOM 523 O VAL A 34 -7.573 1.828 7.023 1.00 0.00 O ATOM 524 CB VAL A 34 -5.945 4.339 5.577 1.00 0.00 C ATOM 525 CG1 VAL A 34 -6.710 5.616 5.908 1.00 0.00 C ATOM 526 CG2 VAL A 34 -4.593 4.684 4.981 1.00 0.00 C ATOM 0 H VAL A 34 -4.849 2.060 5.527 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.309 4.001 7.621 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.536 3.785 4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.807 6.225 5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.701 5.360 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.169 6.177 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.732 5.329 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.989 5.202 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.086 3.769 4.675 1.00 0.00 H new ATOM 536 N ASP A 35 -7.737 3.752 8.145 1.00 0.00 N ATOM 537 CA ASP A 35 -8.998 3.546 8.877 1.00 0.00 C ATOM 538 C ASP A 35 -10.255 3.605 7.990 1.00 0.00 C ATOM 539 O ASP A 35 -11.369 3.496 8.506 1.00 0.00 O ATOM 540 CB ASP A 35 -9.114 4.540 10.033 1.00 0.00 C ATOM 541 CG ASP A 35 -9.219 5.969 9.567 1.00 0.00 C ATOM 542 OD1 ASP A 35 -8.266 6.460 8.927 1.00 0.00 O ATOM 543 OD2 ASP A 35 -10.228 6.633 9.848 1.00 0.00 O ATOM 0 H ASP A 35 -7.353 4.681 8.319 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.954 2.529 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.991 4.293 10.632 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.245 4.438 10.683 1.00 0.00 H new ATOM 548 N ILE A 36 -10.069 3.829 6.673 1.00 0.00 N ATOM 549 CA ILE A 36 -11.162 4.088 5.669 1.00 0.00 C ATOM 550 C ILE A 36 -12.408 3.179 5.790 1.00 0.00 C ATOM 551 O ILE A 36 -13.486 3.559 5.323 1.00 0.00 O ATOM 552 CB ILE A 36 -10.663 3.932 4.212 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.161 2.510 3.962 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.576 4.933 3.901 1.00 0.00 C ATOM 555 CD1 ILE A 36 -9.947 2.198 2.508 1.00 0.00 C ATOM 0 H ILE A 36 -9.140 3.838 6.252 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.451 5.113 5.903 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.506 4.125 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.224 2.364 4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.879 1.802 4.376 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.244 4.801 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.964 5.943 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.735 4.778 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.591 1.173 2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.888 2.311 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.207 2.883 2.094 1.00 0.00 H new ATOM 567 N GLU A 37 -12.257 1.999 6.377 1.00 0.00 N ATOM 568 CA GLU A 37 -13.362 1.074 6.635 1.00 0.00 C ATOM 569 C GLU A 37 -14.480 1.802 7.393 1.00 0.00 C ATOM 570 O GLU A 37 -15.674 1.640 7.102 1.00 0.00 O ATOM 571 CB GLU A 37 -12.823 -0.095 7.474 1.00 0.00 C ATOM 572 CG GLU A 37 -13.820 -1.166 7.850 1.00 0.00 C ATOM 573 CD GLU A 37 -14.401 -1.879 6.665 1.00 0.00 C ATOM 574 OE1 GLU A 37 -13.646 -2.481 5.901 1.00 0.00 O ATOM 575 OE2 GLU A 37 -15.632 -1.904 6.541 1.00 0.00 O ATOM 0 H GLU A 37 -11.353 1.649 6.693 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.771 0.699 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.008 -0.565 6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.395 0.311 8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.334 -1.893 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.628 -0.714 8.425 1.00 0.00 H new ATOM 582 N HIS A 38 -14.084 2.648 8.315 1.00 0.00 N ATOM 583 CA HIS A 38 -15.021 3.390 9.120 1.00 0.00 C ATOM 584 C HIS A 38 -14.845 4.886 8.924 1.00 0.00 C ATOM 585 O HIS A 38 -15.300 5.683 9.739 1.00 0.00 O ATOM 586 CB HIS A 38 -14.877 3.027 10.601 1.00 0.00 C ATOM 587 CG HIS A 38 -15.282 1.621 10.942 1.00 0.00 C ATOM 588 ND1 HIS A 38 -16.571 1.246 11.262 1.00 0.00 N ATOM 589 CD2 HIS A 38 -14.537 0.494 11.022 1.00 0.00 C ATOM 590 CE1 HIS A 38 -16.571 -0.060 11.522 1.00 0.00 C ATOM 591 NE2 HIS A 38 -15.356 -0.573 11.391 1.00 0.00 N ATOM 0 H HIS A 38 -13.105 2.840 8.527 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.025 3.118 8.794 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.839 3.174 10.899 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -15.479 3.718 11.191 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.476 0.431 10.830 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.446 -0.627 11.803 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.078 -1.544 11.531 1.00 0.00 H new ATOM 599 N ASN A 39 -14.229 5.273 7.829 1.00 0.00 N ATOM 600 CA ASN A 39 -14.023 6.682 7.552 1.00 0.00 C ATOM 601 C ASN A 39 -14.252 6.989 6.110 1.00 0.00 C ATOM 602 O ASN A 39 -13.422 6.665 5.257 1.00 0.00 O ATOM 603 CB ASN A 39 -12.632 7.147 7.908 1.00 0.00 C ATOM 604 CG ASN A 39 -12.456 8.640 7.657 1.00 0.00 C ATOM 605 OD1 ASN A 39 -13.384 9.433 7.825 1.00 0.00 O ATOM 606 ND2 ASN A 39 -11.330 9.008 7.142 1.00 0.00 N ATOM 0 H ASN A 39 -13.863 4.639 7.119 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.745 7.210 8.175 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.432 6.928 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.901 6.591 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.190 9.979 6.862 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.580 8.328 7.016 1.00 0.00 H new ATOM 613 N ARG A 40 -15.351 7.634 5.840 1.00 0.00 N ATOM 614 CA ARG A 40 -15.700 8.020 4.488 1.00 0.00 C ATOM 615 C ARG A 40 -14.724 9.066 3.918 1.00 0.00 C ATOM 616 O ARG A 40 -14.446 9.059 2.729 1.00 0.00 O ATOM 617 CB ARG A 40 -17.159 8.545 4.387 1.00 0.00 C ATOM 618 CG ARG A 40 -17.427 9.951 4.951 1.00 0.00 C ATOM 619 CD ARG A 40 -17.213 10.056 6.453 1.00 0.00 C ATOM 620 NE ARG A 40 -17.342 11.432 6.920 1.00 0.00 N ATOM 621 CZ ARG A 40 -17.035 11.864 8.153 1.00 0.00 C ATOM 622 NH1 ARG A 40 -16.665 11.002 9.103 1.00 0.00 N ATOM 623 NH2 ARG A 40 -17.113 13.145 8.435 1.00 0.00 N ATOM 0 H ARG A 40 -16.035 7.910 6.545 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.622 7.114 3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.451 8.538 3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.811 7.841 4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.774 10.665 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.452 10.237 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.938 9.427 6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -16.223 9.676 6.707 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.694 12.121 6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.614 10.005 8.895 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.434 11.341 10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.406 13.808 7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.880 13.476 9.371 1.00 0.00 H new ATOM 637 N ALA A 41 -14.153 9.917 4.782 1.00 0.00 N ATOM 638 CA ALA A 41 -13.334 11.020 4.297 1.00 0.00 C ATOM 639 C ALA A 41 -12.040 10.563 3.644 1.00 0.00 C ATOM 640 O ALA A 41 -11.632 11.100 2.628 1.00 0.00 O ATOM 641 CB ALA A 41 -13.133 12.111 5.346 1.00 0.00 C ATOM 0 H ALA A 41 -14.244 9.860 5.796 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.906 11.486 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.516 12.907 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.101 12.518 5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.639 11.688 6.221 1.00 0.00 H new ATOM 647 N ALA A 42 -11.422 9.552 4.191 1.00 0.00 N ATOM 648 CA ALA A 42 -10.214 9.020 3.585 1.00 0.00 C ATOM 649 C ALA A 42 -10.579 7.981 2.531 1.00 0.00 C ATOM 650 O ALA A 42 -9.801 7.688 1.634 1.00 0.00 O ATOM 651 CB ALA A 42 -9.283 8.441 4.638 1.00 0.00 C ATOM 0 H ALA A 42 -11.723 9.080 5.044 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.678 9.833 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.387 8.050 4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.003 9.222 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.790 7.635 5.169 1.00 0.00 H new ATOM 657 N ALA A 43 -11.786 7.443 2.640 1.00 0.00 N ATOM 658 CA ALA A 43 -12.275 6.446 1.704 1.00 0.00 C ATOM 659 C ALA A 43 -12.469 7.059 0.329 1.00 0.00 C ATOM 660 O ALA A 43 -12.101 6.469 -0.682 1.00 0.00 O ATOM 661 CB ALA A 43 -13.565 5.842 2.207 1.00 0.00 C ATOM 0 H ALA A 43 -12.449 7.685 3.376 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.533 5.652 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.920 5.097 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.392 5.368 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.315 6.625 2.316 1.00 0.00 H new ATOM 667 N GLU A 44 -13.003 8.261 0.299 1.00 0.00 N ATOM 668 CA GLU A 44 -13.203 8.970 -0.951 1.00 0.00 C ATOM 669 C GLU A 44 -11.871 9.411 -1.567 1.00 0.00 C ATOM 670 O GLU A 44 -11.771 9.612 -2.789 1.00 0.00 O ATOM 671 CB GLU A 44 -14.167 10.140 -0.773 1.00 0.00 C ATOM 672 CG GLU A 44 -15.585 9.701 -0.410 1.00 0.00 C ATOM 673 CD GLU A 44 -16.236 8.856 -1.494 1.00 0.00 C ATOM 674 OE1 GLU A 44 -15.916 7.662 -1.625 1.00 0.00 O ATOM 675 OE2 GLU A 44 -17.095 9.377 -2.235 1.00 0.00 O ATOM 0 H GLU A 44 -13.308 8.771 1.128 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.663 8.278 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.787 10.800 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.198 10.721 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.558 9.133 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.198 10.583 -0.226 1.00 0.00 H new ATOM 682 N PHE A 45 -10.839 9.510 -0.733 1.00 0.00 N ATOM 683 CA PHE A 45 -9.496 9.826 -1.209 1.00 0.00 C ATOM 684 C PHE A 45 -8.973 8.651 -2.031 1.00 0.00 C ATOM 685 O PHE A 45 -8.271 8.836 -3.028 1.00 0.00 O ATOM 686 CB PHE A 45 -8.542 10.128 -0.036 1.00 0.00 C ATOM 687 CG PHE A 45 -7.140 10.512 -0.459 1.00 0.00 C ATOM 688 CD1 PHE A 45 -6.844 11.818 -0.812 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.124 9.563 -0.503 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.565 12.173 -1.200 1.00 0.00 C ATOM 691 CE2 PHE A 45 -4.844 9.915 -0.891 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.563 11.220 -1.241 1.00 0.00 C ATOM 0 H PHE A 45 -10.908 9.376 0.276 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.543 10.721 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.963 10.937 0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.487 9.251 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.621 12.568 -0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.337 8.540 -0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.348 13.196 -1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.064 9.168 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.564 11.496 -1.546 1.00 0.00 H new ATOM 702 N VAL A 46 -9.375 7.443 -1.631 1.00 0.00 N ATOM 703 CA VAL A 46 -9.004 6.216 -2.331 1.00 0.00 C ATOM 704 C VAL A 46 -9.498 6.279 -3.772 1.00 0.00 C ATOM 705 O VAL A 46 -8.786 5.920 -4.684 1.00 0.00 O ATOM 706 CB VAL A 46 -9.592 4.950 -1.636 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.222 3.670 -2.382 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.130 4.866 -0.195 1.00 0.00 C ATOM 0 H VAL A 46 -9.966 7.290 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.917 6.137 -2.308 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.678 5.046 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.651 2.811 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.614 3.715 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.137 3.569 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.552 3.976 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.042 4.811 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.464 5.751 0.346 1.00 0.00 H new ATOM 718 N GLY A 47 -10.707 6.807 -3.955 1.00 0.00 N ATOM 719 CA GLY A 47 -11.284 6.941 -5.287 1.00 0.00 C ATOM 720 C GLY A 47 -10.543 7.959 -6.129 1.00 0.00 C ATOM 721 O GLY A 47 -10.402 7.792 -7.343 1.00 0.00 O ATOM 0 H GLY A 47 -11.302 7.147 -3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.265 5.974 -5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.330 7.235 -5.201 1.00 0.00 H new ATOM 725 N SER A 48 -10.026 8.981 -5.470 1.00 0.00 N ATOM 726 CA SER A 48 -9.289 10.052 -6.117 1.00 0.00 C ATOM 727 C SER A 48 -7.978 9.511 -6.716 1.00 0.00 C ATOM 728 O SER A 48 -7.491 10.012 -7.723 1.00 0.00 O ATOM 729 CB SER A 48 -9.009 11.178 -5.093 1.00 0.00 C ATOM 730 OG SER A 48 -8.385 12.317 -5.680 1.00 0.00 O ATOM 0 H SER A 48 -10.107 9.092 -4.459 1.00 0.00 H new ATOM 0 HA SER A 48 -9.885 10.462 -6.932 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.947 11.482 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.372 10.790 -4.298 1.00 0.00 H new ATOM 0 HG SER A 48 -8.232 12.997 -4.991 1.00 0.00 H new ATOM 736 N VAL A 49 -7.433 8.486 -6.101 1.00 0.00 N ATOM 737 CA VAL A 49 -6.199 7.884 -6.573 1.00 0.00 C ATOM 738 C VAL A 49 -6.474 6.514 -7.200 1.00 0.00 C ATOM 739 O VAL A 49 -5.556 5.724 -7.420 1.00 0.00 O ATOM 740 CB VAL A 49 -5.143 7.753 -5.427 1.00 0.00 C ATOM 741 CG1 VAL A 49 -4.738 9.125 -4.907 1.00 0.00 C ATOM 742 CG2 VAL A 49 -5.668 6.894 -4.276 1.00 0.00 C ATOM 0 H VAL A 49 -7.825 8.047 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.784 8.545 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.267 7.260 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.003 9.010 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.305 9.709 -5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.616 9.641 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.908 6.825 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.569 7.349 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.902 5.895 -4.645 1.00 0.00 H new ATOM 752 N ASN A 50 -7.721 6.263 -7.532 1.00 0.00 N ATOM 753 CA ASN A 50 -8.112 4.969 -8.073 1.00 0.00 C ATOM 754 C ASN A 50 -8.622 5.152 -9.493 1.00 0.00 C ATOM 755 O ASN A 50 -8.578 6.267 -10.036 1.00 0.00 O ATOM 756 CB ASN A 50 -9.219 4.362 -7.216 1.00 0.00 C ATOM 757 CG ASN A 50 -9.109 2.863 -7.076 1.00 0.00 C ATOM 758 OD1 ASN A 50 -9.629 2.093 -7.893 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.455 2.439 -6.030 1.00 0.00 N ATOM 0 H ASN A 50 -8.485 6.933 -7.439 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.249 4.303 -8.072 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.193 4.816 -6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.186 4.609 -7.654 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.357 1.438 -5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.041 3.109 -5.381 1.00 0.00 H new ATOM 766 N GLY A 51 -9.125 4.093 -10.080 1.00 0.00 N ATOM 767 CA GLY A 51 -9.616 4.152 -11.428 1.00 0.00 C ATOM 768 C GLY A 51 -11.118 4.083 -11.486 1.00 0.00 C ATOM 769 O GLY A 51 -11.686 3.037 -11.821 1.00 0.00 O ATOM 0 H GLY A 51 -9.204 3.177 -9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.277 5.076 -11.897 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.193 3.329 -12.004 1.00 0.00 H new ATOM 773 N GLY A 52 -11.762 5.178 -11.148 1.00 0.00 N ATOM 774 CA GLY A 52 -13.203 5.243 -11.161 1.00 0.00 C ATOM 775 C GLY A 52 -13.790 4.592 -9.940 1.00 0.00 C ATOM 776 O GLY A 52 -13.923 5.226 -8.880 1.00 0.00 O ATOM 0 H GLY A 52 -11.304 6.042 -10.859 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.522 6.284 -11.209 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.583 4.751 -12.056 1.00 0.00 H new ATOM 780 N ASN A 53 -14.122 3.334 -10.071 1.00 0.00 N ATOM 781 CA ASN A 53 -14.647 2.575 -8.958 1.00 0.00 C ATOM 782 C ASN A 53 -13.517 2.168 -8.069 1.00 0.00 C ATOM 783 O ASN A 53 -12.461 1.753 -8.560 1.00 0.00 O ATOM 784 CB ASN A 53 -15.437 1.336 -9.409 1.00 0.00 C ATOM 785 CG ASN A 53 -16.762 1.674 -10.054 1.00 0.00 C ATOM 786 OD1 ASN A 53 -17.780 1.818 -9.363 1.00 0.00 O ATOM 787 ND2 ASN A 53 -16.782 1.780 -11.361 1.00 0.00 N ATOM 0 H ASN A 53 -14.039 2.808 -10.941 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.346 3.214 -8.418 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.833 0.765 -10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.614 0.693 -8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.657 1.988 -11.842 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.923 1.655 -11.896 1.00 0.00 H new ATOM 794 N ARG A 54 -13.716 2.304 -6.779 1.00 0.00 N ATOM 795 CA ARG A 54 -12.697 1.988 -5.810 1.00 0.00 C ATOM 796 C ARG A 54 -12.330 0.518 -5.783 1.00 0.00 C ATOM 797 O ARG A 54 -13.070 -0.319 -5.246 1.00 0.00 O ATOM 798 CB ARG A 54 -13.053 2.469 -4.393 1.00 0.00 C ATOM 799 CG ARG A 54 -13.079 3.976 -4.230 1.00 0.00 C ATOM 800 CD ARG A 54 -13.198 4.381 -2.765 1.00 0.00 C ATOM 801 NE ARG A 54 -14.487 4.039 -2.150 1.00 0.00 N ATOM 802 CZ ARG A 54 -14.648 3.576 -0.889 1.00 0.00 C ATOM 803 NH1 ARG A 54 -13.586 3.206 -0.166 1.00 0.00 N ATOM 804 NH2 ARG A 54 -15.867 3.487 -0.360 1.00 0.00 N ATOM 0 H ARG A 54 -14.590 2.637 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.819 2.540 -6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.030 2.070 -4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.332 2.052 -3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.170 4.404 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.917 4.389 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.399 3.900 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.043 5.457 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.326 4.160 -2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.649 3.272 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.712 2.858 0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.682 3.768 -0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.986 3.138 0.591 1.00 0.00 H new ATOM 818 N THR A 55 -11.225 0.220 -6.402 1.00 0.00 N ATOM 819 CA THR A 55 -10.599 -1.067 -6.311 1.00 0.00 C ATOM 820 C THR A 55 -9.809 -0.971 -5.021 1.00 0.00 C ATOM 821 O THR A 55 -9.455 0.158 -4.643 1.00 0.00 O ATOM 822 CB THR A 55 -9.612 -1.230 -7.472 1.00 0.00 C ATOM 823 OG1 THR A 55 -10.163 -0.608 -8.657 1.00 0.00 O ATOM 824 CG2 THR A 55 -9.378 -2.703 -7.753 1.00 0.00 C ATOM 0 H THR A 55 -10.723 0.879 -6.997 1.00 0.00 H new ATOM 0 HA THR A 55 -11.306 -1.896 -6.340 1.00 0.00 H new ATOM 0 HB THR A 55 -8.667 -0.758 -7.204 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.947 0.348 -8.655 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.675 -2.809 -8.580 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.967 -3.182 -6.864 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.323 -3.178 -8.017 1.00 0.00 H new ATOM 832 N VAL A 56 -9.519 -2.047 -4.311 1.00 0.00 N ATOM 833 CA VAL A 56 -8.865 -1.781 -3.061 1.00 0.00 C ATOM 834 C VAL A 56 -7.383 -1.664 -3.080 1.00 0.00 C ATOM 835 O VAL A 56 -6.915 -0.640 -3.504 1.00 0.00 O ATOM 836 CB VAL A 56 -9.316 -2.516 -1.792 1.00 0.00 C ATOM 837 CG1 VAL A 56 -8.752 -1.771 -0.564 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.783 -2.528 -1.690 1.00 0.00 C ATOM 0 H VAL A 56 -9.706 -3.020 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.287 -0.781 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.952 -3.543 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.064 -2.282 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.663 -1.755 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.129 -0.748 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.080 -3.054 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.154 -1.504 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.204 -3.035 -2.558 1.00 0.00 H new ATOM 848 N PRO A 57 -6.602 -2.777 -2.810 1.00 0.00 N ATOM 849 CA PRO A 57 -5.310 -2.632 -2.158 1.00 0.00 C ATOM 850 C PRO A 57 -4.423 -1.551 -2.749 1.00 0.00 C ATOM 851 O PRO A 57 -3.717 -1.757 -3.754 1.00 0.00 O ATOM 852 CB PRO A 57 -4.671 -4.002 -2.177 1.00 0.00 C ATOM 853 CG PRO A 57 -5.341 -4.684 -3.320 1.00 0.00 C ATOM 854 CD PRO A 57 -6.761 -4.156 -3.338 1.00 0.00 C ATOM 0 HA PRO A 57 -5.453 -2.279 -1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.593 -3.940 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.835 -4.534 -1.240 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.831 -4.467 -4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.327 -5.766 -3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.182 -4.159 -4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.424 -4.755 -2.714 1.00 0.00 H new ATOM 862 N THR A 58 -4.534 -0.403 -2.158 1.00 0.00 N ATOM 863 CA THR A 58 -3.907 0.769 -2.613 1.00 0.00 C ATOM 864 C THR A 58 -2.772 1.142 -1.681 1.00 0.00 C ATOM 865 O THR A 58 -2.990 1.500 -0.535 1.00 0.00 O ATOM 866 CB THR A 58 -4.965 1.896 -2.663 1.00 0.00 C ATOM 867 OG1 THR A 58 -6.201 1.408 -2.117 1.00 0.00 O ATOM 868 CG2 THR A 58 -5.192 2.400 -4.083 1.00 0.00 C ATOM 0 H THR A 58 -5.089 -0.265 -1.313 1.00 0.00 H new ATOM 0 HA THR A 58 -3.489 0.615 -3.608 1.00 0.00 H new ATOM 0 HB THR A 58 -4.595 2.734 -2.073 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.658 0.856 -2.785 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.942 3.191 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.257 2.792 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.539 1.578 -4.710 1.00 0.00 H new ATOM 876 N VAL A 59 -1.577 1.000 -2.146 1.00 0.00 N ATOM 877 CA VAL A 59 -0.420 1.336 -1.355 1.00 0.00 C ATOM 878 C VAL A 59 0.145 2.678 -1.803 1.00 0.00 C ATOM 879 O VAL A 59 0.380 2.897 -2.994 1.00 0.00 O ATOM 880 CB VAL A 59 0.666 0.211 -1.407 1.00 0.00 C ATOM 881 CG1 VAL A 59 0.994 -0.165 -2.832 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.928 0.615 -0.641 1.00 0.00 C ATOM 0 H VAL A 59 -1.365 0.650 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.732 1.421 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 59 0.250 -0.668 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.751 -0.949 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.094 -0.527 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.374 0.709 -3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.661 -0.189 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.347 1.520 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.676 0.803 0.403 1.00 0.00 H new ATOM 892 N LYS A 60 0.307 3.576 -0.875 1.00 0.00 N ATOM 893 CA LYS A 60 0.854 4.870 -1.163 1.00 0.00 C ATOM 894 C LYS A 60 2.291 4.937 -0.666 1.00 0.00 C ATOM 895 O LYS A 60 2.578 4.608 0.496 1.00 0.00 O ATOM 896 CB LYS A 60 0.000 5.971 -0.520 1.00 0.00 C ATOM 897 CG LYS A 60 0.499 7.374 -0.764 1.00 0.00 C ATOM 898 CD LYS A 60 -0.441 8.394 -0.162 1.00 0.00 C ATOM 899 CE LYS A 60 0.042 9.798 -0.432 1.00 0.00 C ATOM 900 NZ LYS A 60 1.317 10.090 0.250 1.00 0.00 N ATOM 0 H LYS A 60 0.063 3.431 0.105 1.00 0.00 H new ATOM 0 HA LYS A 60 0.847 5.030 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.019 5.890 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.045 5.797 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.493 7.491 -0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.594 7.549 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.440 8.263 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.519 8.233 0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.166 9.937 -1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.715 10.510 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.508 11.112 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.256 9.791 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.088 9.574 -0.220 1.00 0.00 H new ATOM 914 N PHE A 61 3.175 5.325 -1.550 1.00 0.00 N ATOM 915 CA PHE A 61 4.581 5.441 -1.247 1.00 0.00 C ATOM 916 C PHE A 61 4.957 6.921 -1.055 1.00 0.00 C ATOM 917 O PHE A 61 4.160 7.813 -1.385 1.00 0.00 O ATOM 918 CB PHE A 61 5.423 4.804 -2.364 1.00 0.00 C ATOM 919 CG PHE A 61 5.195 3.320 -2.571 1.00 0.00 C ATOM 920 CD1 PHE A 61 5.947 2.383 -1.871 1.00 0.00 C ATOM 921 CD2 PHE A 61 4.241 2.860 -3.471 1.00 0.00 C ATOM 922 CE1 PHE A 61 5.747 1.035 -2.063 1.00 0.00 C ATOM 923 CE2 PHE A 61 4.045 1.503 -3.659 1.00 0.00 C ATOM 924 CZ PHE A 61 4.799 0.595 -2.956 1.00 0.00 C ATOM 0 H PHE A 61 2.937 5.572 -2.511 1.00 0.00 H new ATOM 0 HA PHE A 61 4.789 4.908 -0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.211 5.323 -3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.478 4.967 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.696 2.717 -1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.647 3.568 -4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.337 0.320 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.299 1.158 -4.359 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.647 -0.464 -3.105 1.00 0.00 H new ATOM 934 N ALA A 62 6.184 7.176 -0.584 1.00 0.00 N ATOM 935 CA ALA A 62 6.651 8.537 -0.221 1.00 0.00 C ATOM 936 C ALA A 62 6.754 9.529 -1.396 1.00 0.00 C ATOM 937 O ALA A 62 6.889 10.739 -1.184 1.00 0.00 O ATOM 938 CB ALA A 62 7.955 8.484 0.556 1.00 0.00 C ATOM 0 H ALA A 62 6.887 6.451 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 62 5.863 8.935 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.270 9.497 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.810 7.912 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.722 8.005 -0.053 1.00 0.00 H new ATOM 944 N ASP A 63 6.701 9.032 -2.628 1.00 0.00 N ATOM 945 CA ASP A 63 6.695 9.935 -3.807 1.00 0.00 C ATOM 946 C ASP A 63 5.309 10.511 -3.999 1.00 0.00 C ATOM 947 O ASP A 63 5.105 11.451 -4.764 1.00 0.00 O ATOM 948 CB ASP A 63 7.079 9.222 -5.122 1.00 0.00 C ATOM 949 CG ASP A 63 8.538 8.877 -5.299 1.00 0.00 C ATOM 950 OD1 ASP A 63 9.333 9.771 -5.685 1.00 0.00 O ATOM 951 OD2 ASP A 63 8.909 7.698 -5.147 1.00 0.00 O ATOM 0 H ASP A 63 6.662 8.037 -2.848 1.00 0.00 H new ATOM 0 HA ASP A 63 7.437 10.706 -3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.500 8.301 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.774 9.855 -5.955 1.00 0.00 H new ATOM 956 N GLY A 64 4.350 9.928 -3.305 1.00 0.00 N ATOM 957 CA GLY A 64 2.972 10.293 -3.480 1.00 0.00 C ATOM 958 C GLY A 64 2.319 9.349 -4.453 1.00 0.00 C ATOM 959 O GLY A 64 1.128 9.452 -4.742 1.00 0.00 O ATOM 0 H GLY A 64 4.510 9.196 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.452 10.261 -2.522 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.900 11.317 -3.847 1.00 0.00 H new ATOM 963 N SER A 65 3.125 8.433 -4.953 1.00 0.00 N ATOM 964 CA SER A 65 2.703 7.414 -5.870 1.00 0.00 C ATOM 965 C SER A 65 1.771 6.460 -5.151 1.00 0.00 C ATOM 966 O SER A 65 2.067 6.036 -4.017 1.00 0.00 O ATOM 967 CB SER A 65 3.938 6.635 -6.322 1.00 0.00 C ATOM 968 OG SER A 65 4.994 7.515 -6.684 1.00 0.00 O ATOM 0 H SER A 65 4.117 8.383 -4.721 1.00 0.00 H new ATOM 0 HA SER A 65 2.195 7.862 -6.724 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.269 5.975 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.681 6.001 -7.171 1.00 0.00 H new ATOM 0 HG SER A 65 5.773 6.992 -6.968 1.00 0.00 H new ATOM 974 N THR A 66 0.670 6.131 -5.757 1.00 0.00 N ATOM 975 CA THR A 66 -0.203 5.183 -5.159 1.00 0.00 C ATOM 976 C THR A 66 -0.352 4.035 -6.149 1.00 0.00 C ATOM 977 O THR A 66 -0.485 4.267 -7.356 1.00 0.00 O ATOM 978 CB THR A 66 -1.583 5.820 -4.879 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.399 7.193 -4.479 1.00 0.00 O ATOM 980 CG2 THR A 66 -2.279 5.090 -3.742 1.00 0.00 C ATOM 0 H THR A 66 0.362 6.504 -6.655 1.00 0.00 H new ATOM 0 HA THR A 66 0.199 4.835 -4.208 1.00 0.00 H new ATOM 0 HB THR A 66 -2.186 5.756 -5.785 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.272 7.602 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.250 5.549 -3.555 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.418 4.043 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.668 5.153 -2.841 1.00 0.00 H new ATOM 988 N LEU A 67 -0.320 2.832 -5.669 1.00 0.00 N ATOM 989 CA LEU A 67 -0.441 1.672 -6.524 1.00 0.00 C ATOM 990 C LEU A 67 -1.630 0.842 -6.149 1.00 0.00 C ATOM 991 O LEU A 67 -1.730 0.358 -5.014 1.00 0.00 O ATOM 992 CB LEU A 67 0.837 0.803 -6.529 1.00 0.00 C ATOM 993 CG LEU A 67 1.948 1.175 -7.532 1.00 0.00 C ATOM 994 CD1 LEU A 67 2.546 2.558 -7.298 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.026 0.104 -7.577 1.00 0.00 C ATOM 0 H LEU A 67 -0.210 2.616 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.582 2.051 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.266 0.830 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.542 -0.228 -6.722 1.00 0.00 H new ATOM 0 HG LEU A 67 1.467 1.224 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.320 2.750 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.764 3.312 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.982 2.602 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.796 0.393 -8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.472 -0.005 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.584 -0.844 -7.883 1.00 0.00 H new ATOM 1007 N THR A 68 -2.526 0.700 -7.079 1.00 0.00 N ATOM 1008 CA THR A 68 -3.689 -0.107 -6.903 1.00 0.00 C ATOM 1009 C THR A 68 -3.377 -1.508 -7.424 1.00 0.00 C ATOM 1010 O THR A 68 -3.057 -1.668 -8.608 1.00 0.00 O ATOM 1011 CB THR A 68 -4.864 0.481 -7.708 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.985 1.883 -7.423 1.00 0.00 O ATOM 1013 CG2 THR A 68 -6.170 -0.210 -7.347 1.00 0.00 C ATOM 0 H THR A 68 -2.466 1.149 -7.993 1.00 0.00 H new ATOM 0 HA THR A 68 -3.964 -0.139 -5.849 1.00 0.00 H new ATOM 0 HB THR A 68 -4.664 0.325 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.731 2.258 -7.936 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.984 0.223 -7.929 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.092 -1.274 -7.569 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.372 -0.075 -6.284 1.00 0.00 H new ATOM 1021 N ASN A 69 -3.406 -2.486 -6.529 1.00 0.00 N ATOM 1022 CA ASN A 69 -3.166 -3.910 -6.861 1.00 0.00 C ATOM 1023 C ASN A 69 -1.734 -4.129 -7.433 1.00 0.00 C ATOM 1024 O ASN A 69 -1.551 -4.315 -8.642 1.00 0.00 O ATOM 1025 CB ASN A 69 -4.249 -4.436 -7.848 1.00 0.00 C ATOM 1026 CG ASN A 69 -4.217 -5.943 -8.108 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -3.511 -6.433 -8.989 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -5.041 -6.670 -7.409 1.00 0.00 N ATOM 0 H ASN A 69 -3.597 -2.326 -5.540 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.239 -4.484 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.232 -4.172 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.133 -3.917 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.113 -7.672 -7.586 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.614 -6.237 -6.685 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.695 -3.989 -6.593 1.00 0.00 N ATOM 1036 CA PRO A 70 0.679 -4.236 -7.003 1.00 0.00 C ATOM 1037 C PRO A 70 1.136 -5.671 -6.678 1.00 0.00 C ATOM 1038 O PRO A 70 0.325 -6.548 -6.332 1.00 0.00 O ATOM 1039 CB PRO A 70 1.435 -3.247 -6.123 1.00 0.00 C ATOM 1040 CG PRO A 70 0.698 -3.315 -4.829 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.753 -3.498 -5.196 1.00 0.00 C ATOM 0 HA PRO A 70 0.831 -4.123 -8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.481 -3.529 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.421 -2.241 -6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.055 -4.144 -4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.843 -2.405 -4.247 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.246 -4.214 -4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.307 -2.562 -5.122 1.00 0.00 H new ATOM 1049 N SER A 71 2.425 -5.881 -6.773 1.00 0.00 N ATOM 1050 CA SER A 71 3.039 -7.131 -6.442 1.00 0.00 C ATOM 1051 C SER A 71 3.966 -6.874 -5.249 1.00 0.00 C ATOM 1052 O SER A 71 4.470 -5.747 -5.102 1.00 0.00 O ATOM 1053 CB SER A 71 3.834 -7.615 -7.655 1.00 0.00 C ATOM 1054 OG SER A 71 3.022 -7.565 -8.826 1.00 0.00 O ATOM 0 H SER A 71 3.085 -5.171 -7.089 1.00 0.00 H new ATOM 0 HA SER A 71 2.306 -7.894 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.719 -6.994 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.182 -8.634 -7.488 1.00 0.00 H new ATOM 0 HG SER A 71 3.541 -7.875 -9.597 1.00 0.00 H new ATOM 1060 N ALA A 72 4.174 -7.873 -4.403 1.00 0.00 N ATOM 1061 CA ALA A 72 5.013 -7.738 -3.202 1.00 0.00 C ATOM 1062 C ALA A 72 6.431 -7.283 -3.550 1.00 0.00 C ATOM 1063 O ALA A 72 7.008 -6.425 -2.871 1.00 0.00 O ATOM 1064 CB ALA A 72 5.051 -9.051 -2.431 1.00 0.00 C ATOM 0 H ALA A 72 3.770 -8.802 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 72 4.566 -6.969 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.676 -8.935 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.040 -9.325 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.464 -9.834 -3.066 1.00 0.00 H new ATOM 1070 N ASP A 73 6.961 -7.831 -4.629 1.00 0.00 N ATOM 1071 CA ASP A 73 8.303 -7.495 -5.114 1.00 0.00 C ATOM 1072 C ASP A 73 8.375 -6.052 -5.544 1.00 0.00 C ATOM 1073 O ASP A 73 9.383 -5.366 -5.299 1.00 0.00 O ATOM 1074 CB ASP A 73 8.739 -8.410 -6.258 1.00 0.00 C ATOM 1075 CG ASP A 73 9.065 -9.811 -5.800 1.00 0.00 C ATOM 1076 OD1 ASP A 73 8.153 -10.675 -5.752 1.00 0.00 O ATOM 1077 OD2 ASP A 73 10.242 -10.068 -5.465 1.00 0.00 O ATOM 0 H ASP A 73 6.478 -8.524 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 73 8.992 -7.648 -4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.946 -8.453 -7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.614 -7.980 -6.747 1.00 0.00 H new ATOM 1082 N GLU A 74 7.292 -5.578 -6.157 1.00 0.00 N ATOM 1083 CA GLU A 74 7.175 -4.185 -6.544 1.00 0.00 C ATOM 1084 C GLU A 74 7.221 -3.316 -5.333 1.00 0.00 C ATOM 1085 O GLU A 74 7.972 -2.361 -5.286 1.00 0.00 O ATOM 1086 CB GLU A 74 5.879 -3.911 -7.299 1.00 0.00 C ATOM 1087 CG GLU A 74 5.900 -4.343 -8.735 1.00 0.00 C ATOM 1088 CD GLU A 74 6.978 -3.620 -9.492 1.00 0.00 C ATOM 1089 OE1 GLU A 74 7.029 -2.376 -9.434 1.00 0.00 O ATOM 1090 OE2 GLU A 74 7.820 -4.285 -10.128 1.00 0.00 O ATOM 0 H GLU A 74 6.480 -6.148 -6.395 1.00 0.00 H new ATOM 0 HA GLU A 74 8.012 -3.961 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.061 -4.420 -6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.666 -2.843 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.066 -5.419 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.931 -4.145 -9.194 1.00 0.00 H new ATOM 1097 N VAL A 75 6.435 -3.685 -4.342 1.00 0.00 N ATOM 1098 CA VAL A 75 6.339 -2.934 -3.109 1.00 0.00 C ATOM 1099 C VAL A 75 7.703 -2.818 -2.437 1.00 0.00 C ATOM 1100 O VAL A 75 8.080 -1.752 -2.002 1.00 0.00 O ATOM 1101 CB VAL A 75 5.298 -3.555 -2.127 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.233 -2.775 -0.824 1.00 0.00 C ATOM 1103 CG2 VAL A 75 3.919 -3.599 -2.767 1.00 0.00 C ATOM 0 H VAL A 75 5.844 -4.516 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 75 5.990 -1.934 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 75 5.623 -4.571 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.498 -3.233 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.211 -2.786 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.942 -1.745 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.207 -4.035 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.604 -2.587 -3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.957 -4.206 -3.671 1.00 0.00 H new ATOM 1113 N LYS A 76 8.456 -3.905 -2.425 1.00 0.00 N ATOM 1114 CA LYS A 76 9.767 -3.922 -1.786 1.00 0.00 C ATOM 1115 C LYS A 76 10.767 -3.015 -2.566 1.00 0.00 C ATOM 1116 O LYS A 76 11.540 -2.267 -1.964 1.00 0.00 O ATOM 1117 CB LYS A 76 10.273 -5.386 -1.677 1.00 0.00 C ATOM 1118 CG LYS A 76 11.310 -5.663 -0.575 1.00 0.00 C ATOM 1119 CD LYS A 76 12.652 -4.999 -0.819 1.00 0.00 C ATOM 1120 CE LYS A 76 13.588 -5.204 0.359 1.00 0.00 C ATOM 1121 NZ LYS A 76 13.887 -6.626 0.606 1.00 0.00 N ATOM 0 H LYS A 76 8.184 -4.791 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 76 9.688 -3.516 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.413 -6.035 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.706 -5.672 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.913 -5.319 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.458 -6.740 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.105 -5.409 -1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.507 -3.932 -0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.519 -4.667 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.141 -4.770 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.643 -6.704 1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.033 -7.105 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.197 -7.075 -0.280 1.00 0.00 H new ATOM 1135 N ALA A 77 10.712 -3.052 -3.887 1.00 0.00 N ATOM 1136 CA ALA A 77 11.628 -2.248 -4.712 1.00 0.00 C ATOM 1137 C ALA A 77 11.214 -0.771 -4.714 1.00 0.00 C ATOM 1138 O ALA A 77 12.046 0.122 -4.847 1.00 0.00 O ATOM 1139 CB ALA A 77 11.692 -2.797 -6.126 1.00 0.00 C ATOM 0 H ALA A 77 10.052 -3.622 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 77 12.625 -2.312 -4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.374 -2.190 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.050 -3.826 -6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.698 -2.769 -6.572 1.00 0.00 H new ATOM 1145 N LYS A 78 9.942 -0.519 -4.572 1.00 0.00 N ATOM 1146 CA LYS A 78 9.464 0.842 -4.463 1.00 0.00 C ATOM 1147 C LYS A 78 9.739 1.358 -3.064 1.00 0.00 C ATOM 1148 O LYS A 78 10.004 2.538 -2.870 1.00 0.00 O ATOM 1149 CB LYS A 78 7.971 0.929 -4.801 1.00 0.00 C ATOM 1150 CG LYS A 78 7.622 0.559 -6.242 1.00 0.00 C ATOM 1151 CD LYS A 78 8.194 1.556 -7.235 1.00 0.00 C ATOM 1152 CE LYS A 78 7.890 1.171 -8.682 1.00 0.00 C ATOM 1153 NZ LYS A 78 8.521 -0.112 -9.098 1.00 0.00 N ATOM 0 H LYS A 78 9.215 -1.233 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 78 9.994 1.466 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.421 0.272 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.627 1.945 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.006 -0.437 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.539 0.515 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.784 2.545 -7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.273 1.624 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.810 1.095 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.234 1.967 -9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.096 0.044 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.128 -0.465 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.780 -0.813 -9.303 1.00 0.00 H new ATOM 1167 N LEU A 79 9.715 0.447 -2.105 1.00 0.00 N ATOM 1168 CA LEU A 79 9.983 0.747 -0.707 1.00 0.00 C ATOM 1169 C LEU A 79 11.372 1.341 -0.561 1.00 0.00 C ATOM 1170 O LEU A 79 11.544 2.404 0.021 1.00 0.00 O ATOM 1171 CB LEU A 79 9.913 -0.535 0.143 1.00 0.00 C ATOM 1172 CG LEU A 79 10.066 -0.379 1.654 1.00 0.00 C ATOM 1173 CD1 LEU A 79 8.808 0.180 2.297 1.00 0.00 C ATOM 1174 CD2 LEU A 79 10.481 -1.692 2.292 1.00 0.00 C ATOM 0 H LEU A 79 9.506 -0.536 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 79 9.231 1.457 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.955 -1.018 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.690 -1.215 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 79 10.859 0.347 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.960 0.275 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.588 1.160 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.972 -0.493 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.584 -1.557 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.723 -2.449 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.435 -2.014 1.874 1.00 0.00 H new ATOM 1186 N VAL A 80 12.348 0.662 -1.130 1.00 0.00 N ATOM 1187 CA VAL A 80 13.734 1.069 -1.016 1.00 0.00 C ATOM 1188 C VAL A 80 13.996 2.465 -1.599 1.00 0.00 C ATOM 1189 O VAL A 80 14.709 3.263 -0.997 1.00 0.00 O ATOM 1190 CB VAL A 80 14.722 0.008 -1.588 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.660 -1.277 -0.792 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.449 -0.271 -3.040 1.00 0.00 C ATOM 0 H VAL A 80 12.204 -0.184 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 80 13.931 1.137 0.054 1.00 0.00 H new ATOM 0 HB VAL A 80 15.726 0.423 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.359 -2.000 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.927 -1.076 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.649 -1.683 -0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.156 -1.015 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.433 -0.649 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.560 0.649 -3.614 1.00 0.00 H new ATOM 1202 N LYS A 81 13.368 2.793 -2.723 1.00 0.00 N ATOM 1203 CA LYS A 81 13.596 4.097 -3.325 1.00 0.00 C ATOM 1204 C LYS A 81 12.900 5.195 -2.508 1.00 0.00 C ATOM 1205 O LYS A 81 13.394 6.318 -2.408 1.00 0.00 O ATOM 1206 CB LYS A 81 13.136 4.159 -4.797 1.00 0.00 C ATOM 1207 CG LYS A 81 11.626 4.095 -4.987 1.00 0.00 C ATOM 1208 CD LYS A 81 11.184 4.353 -6.425 1.00 0.00 C ATOM 1209 CE LYS A 81 11.652 5.720 -6.946 1.00 0.00 C ATOM 1210 NZ LYS A 81 11.289 6.847 -6.045 1.00 0.00 N ATOM 0 H LYS A 81 12.714 2.191 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 81 14.673 4.265 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.507 5.082 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.594 3.334 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.270 3.113 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.154 4.828 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.578 3.567 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.097 4.298 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.734 5.701 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.216 5.895 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.541 7.749 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.266 6.827 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.806 6.754 -5.147 1.00 0.00 H new ATOM 1224 N ILE A 82 11.765 4.863 -1.896 1.00 0.00 N ATOM 1225 CA ILE A 82 11.019 5.854 -1.141 1.00 0.00 C ATOM 1226 C ILE A 82 11.555 6.013 0.262 1.00 0.00 C ATOM 1227 O ILE A 82 11.193 6.938 0.984 1.00 0.00 O ATOM 1228 CB ILE A 82 9.463 5.664 -1.204 1.00 0.00 C ATOM 1229 CG1 ILE A 82 8.951 4.353 -0.551 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.017 5.728 -2.653 1.00 0.00 C ATOM 1231 CD1 ILE A 82 8.902 4.339 0.969 1.00 0.00 C ATOM 0 H ILE A 82 11.351 3.931 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 82 11.187 6.806 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 82 9.026 6.473 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.949 4.150 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.589 3.533 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.936 5.597 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.287 6.696 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.507 4.937 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.529 3.374 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.903 4.503 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.238 5.130 1.319 1.00 0.00 H new ATOM 1243 N ALA A 83 12.412 5.091 0.647 1.00 0.00 N ATOM 1244 CA ALA A 83 13.100 5.161 1.910 1.00 0.00 C ATOM 1245 C ALA A 83 14.262 6.144 1.804 1.00 0.00 C ATOM 1246 O ALA A 83 14.946 6.439 2.797 1.00 0.00 O ATOM 1247 CB ALA A 83 13.599 3.783 2.314 1.00 0.00 C ATOM 0 H ALA A 83 12.649 4.271 0.088 1.00 0.00 H new ATOM 0 HA ALA A 83 12.410 5.511 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.117 3.850 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.753 3.102 2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.285 3.408 1.555 1.00 0.00 H new