USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 584 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 66 LYS NZ :NH3+ 138:sc= 0.321 (180deg=-2.17!) USER MOD Set 1.2: A 67 MET CE :methyl -158:sc= -0.546 (180deg=-1.28) USER MOD Set 2.1: A 38 SER OG : rot -82:sc= -0.0672! USER MOD Set 2.2: A 39 HIS : no HD1:sc= -0.165 X(o=-0.23,f=-0.18) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 11 GLN : amide:sc= -0.394 K(o=-0.39,f=-1.6) USER MOD Single : A 12 GLN : amide:sc=-0.00284 K(o=-0.0028,f=-0.58) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.174) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 87:sc= 0.948 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 34 THR OG1 : rot 44:sc= 1.31 USER MOD Single : A 42 THR OG1 : rot -37:sc= 1.19 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -72:sc= 0.0387 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -100:sc= -4.44! (180deg=-5.07!) USER MOD Single : A 56 CYS SG : rot -54:sc= -1.59 USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.0564 (180deg=-0.452) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -107:sc= -0.0378 (180deg=-0.797) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 71 MET CE :methyl 156:sc= -0.124 (180deg=-0.917) USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= -0.171 (180deg=-0.924) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.39! C(o=-2.4!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 6 -23.968 -1.597 14.927 1.00 0.00 N ATOM 58 CA PRO A 6 -24.090 -1.180 13.499 1.00 0.00 C ATOM 59 C PRO A 6 -25.540 -1.148 13.035 1.00 0.00 C ATOM 60 O PRO A 6 -26.470 -1.206 13.841 1.00 0.00 O ATOM 61 CB PRO A 6 -23.283 -2.246 12.734 1.00 0.00 C ATOM 62 CG PRO A 6 -23.269 -3.444 13.631 1.00 0.00 C ATOM 63 CD PRO A 6 -23.309 -2.909 15.053 1.00 0.00 C ATOM 0 HA PRO A 6 -23.721 -0.168 13.334 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.746 -2.477 11.775 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -22.271 -1.899 12.524 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -24.126 -4.088 13.433 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -22.374 -4.044 13.466 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -23.867 -3.573 15.713 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -22.307 -2.813 15.471 1.00 0.00 H new ATOM 71 N ILE A 7 -25.728 -1.042 11.730 1.00 0.00 N ATOM 72 CA ILE A 7 -27.069 -0.987 11.185 1.00 0.00 C ATOM 73 C ILE A 7 -27.813 -2.289 11.474 1.00 0.00 C ATOM 74 O ILE A 7 -29.043 -2.314 11.552 1.00 0.00 O ATOM 75 CB ILE A 7 -26.993 -0.762 9.656 1.00 0.00 C ATOM 76 CG1 ILE A 7 -28.129 0.175 9.204 1.00 0.00 C ATOM 77 CG2 ILE A 7 -27.095 -2.105 8.886 1.00 0.00 C ATOM 78 CD1 ILE A 7 -29.484 -0.417 9.605 1.00 0.00 C ATOM 0 H ILE A 7 -24.979 -0.993 11.039 1.00 0.00 H new ATOM 0 HA ILE A 7 -27.608 -0.163 11.652 1.00 0.00 H new ATOM 0 HB ILE A 7 -26.029 -0.306 9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -28.003 1.158 9.658 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -28.089 0.315 8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -27.039 -1.915 7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -26.274 -2.758 9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -28.044 -2.587 9.120 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -30.283 0.251 9.282 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -29.611 -1.390 9.130 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -29.524 -0.534 10.688 1.00 0.00 H new ATOM 90 N SER A 8 -27.063 -3.372 11.602 1.00 0.00 N ATOM 91 CA SER A 8 -27.667 -4.669 11.843 1.00 0.00 C ATOM 92 C SER A 8 -28.656 -4.562 12.989 1.00 0.00 C ATOM 93 O SER A 8 -29.619 -5.321 13.064 1.00 0.00 O ATOM 94 CB SER A 8 -26.582 -5.691 12.194 1.00 0.00 C ATOM 95 OG SER A 8 -27.175 -6.971 12.361 1.00 0.00 O ATOM 0 H SER A 8 -26.045 -3.378 11.543 1.00 0.00 H new ATOM 0 HA SER A 8 -28.187 -4.996 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 8 -25.831 -5.726 11.405 1.00 0.00 H new ATOM 0 HB3 SER A 8 -26.069 -5.394 13.109 1.00 0.00 H new ATOM 0 HG SER A 8 -26.481 -7.626 12.584 1.00 0.00 H new ATOM 101 N GLN A 9 -28.417 -3.601 13.874 1.00 0.00 N ATOM 102 CA GLN A 9 -29.304 -3.407 15.017 1.00 0.00 C ATOM 103 C GLN A 9 -30.718 -3.088 14.538 1.00 0.00 C ATOM 104 O GLN A 9 -31.694 -3.678 15.004 1.00 0.00 O ATOM 105 CB GLN A 9 -28.791 -2.251 15.877 1.00 0.00 C ATOM 106 CG GLN A 9 -29.613 -2.156 17.164 1.00 0.00 C ATOM 107 CD GLN A 9 -29.329 -3.365 18.052 1.00 0.00 C ATOM 108 OE1 GLN A 9 -28.187 -3.586 18.452 1.00 0.00 O ATOM 109 NE2 GLN A 9 -30.303 -4.170 18.373 1.00 0.00 N ATOM 0 H GLN A 9 -27.630 -2.953 13.825 1.00 0.00 H new ATOM 0 HA GLN A 9 -29.323 -4.324 15.606 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -27.739 -2.404 16.117 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -28.858 -1.315 15.322 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -29.367 -1.237 17.696 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -30.675 -2.111 16.925 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -31.249 -3.984 18.040 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -30.119 -4.986 18.957 1.00 0.00 H new ATOM 118 N LEU A 10 -30.822 -2.153 13.605 1.00 0.00 N ATOM 119 CA LEU A 10 -32.123 -1.774 13.083 1.00 0.00 C ATOM 120 C LEU A 10 -32.779 -2.949 12.366 1.00 0.00 C ATOM 121 O LEU A 10 -33.932 -3.295 12.632 1.00 0.00 O ATOM 122 CB LEU A 10 -31.969 -0.584 12.109 1.00 0.00 C ATOM 123 CG LEU A 10 -33.237 0.288 12.133 1.00 0.00 C ATOM 124 CD1 LEU A 10 -34.464 -0.584 11.823 1.00 0.00 C ATOM 125 CD2 LEU A 10 -33.396 0.956 13.523 1.00 0.00 C ATOM 0 H LEU A 10 -30.033 -1.650 13.200 1.00 0.00 H new ATOM 0 HA LEU A 10 -32.760 -1.479 13.917 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -31.102 0.014 12.388 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -31.791 -0.952 11.099 1.00 0.00 H new ATOM 0 HG LEU A 10 -33.151 1.069 11.378 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -35.362 0.033 11.840 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -34.351 -1.034 10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -34.550 -1.371 12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -34.296 1.571 13.530 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -33.477 0.186 14.290 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -32.527 1.582 13.727 1.00 0.00 H new ATOM 137 N GLN A 11 -32.036 -3.551 11.449 1.00 0.00 N ATOM 138 CA GLN A 11 -32.553 -4.676 10.688 1.00 0.00 C ATOM 139 C GLN A 11 -32.929 -5.814 11.633 1.00 0.00 C ATOM 140 O GLN A 11 -33.957 -6.467 11.455 1.00 0.00 O ATOM 141 CB GLN A 11 -31.497 -5.160 9.694 1.00 0.00 C ATOM 142 CG GLN A 11 -32.131 -6.149 8.714 1.00 0.00 C ATOM 143 CD GLN A 11 -31.104 -6.593 7.682 1.00 0.00 C ATOM 144 OE1 GLN A 11 -31.163 -6.174 6.525 1.00 0.00 O ATOM 145 NE2 GLN A 11 -30.154 -7.415 8.033 1.00 0.00 N ATOM 0 H GLN A 11 -31.080 -3.281 11.216 1.00 0.00 H new ATOM 0 HA GLN A 11 -33.440 -4.356 10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -31.078 -4.313 9.151 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -30.673 -5.637 10.226 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -32.513 -7.015 9.255 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -32.982 -5.684 8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -30.107 -7.761 8.991 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -29.458 -7.712 7.349 1.00 0.00 H new ATOM 154 N GLN A 12 -32.096 -6.031 12.648 1.00 0.00 N ATOM 155 CA GLN A 12 -32.358 -7.087 13.628 1.00 0.00 C ATOM 156 C GLN A 12 -33.668 -6.819 14.362 1.00 0.00 C ATOM 157 O GLN A 12 -34.466 -7.730 14.580 1.00 0.00 O ATOM 158 CB GLN A 12 -31.212 -7.167 14.636 1.00 0.00 C ATOM 159 CG GLN A 12 -31.443 -8.351 15.576 1.00 0.00 C ATOM 160 CD GLN A 12 -30.260 -8.499 16.525 1.00 0.00 C ATOM 161 OE1 GLN A 12 -29.109 -8.371 16.110 1.00 0.00 O ATOM 162 NE2 GLN A 12 -30.476 -8.762 17.784 1.00 0.00 N ATOM 0 H GLN A 12 -31.243 -5.498 12.814 1.00 0.00 H new ATOM 0 HA GLN A 12 -32.437 -8.036 13.098 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -30.262 -7.283 14.114 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -31.151 -6.241 15.208 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -32.360 -8.201 16.145 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -31.573 -9.266 14.998 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -31.431 -8.868 18.126 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -29.690 -8.862 18.426 1.00 0.00 H new ATOM 171 N CYS A 13 -33.891 -5.561 14.725 1.00 0.00 N ATOM 172 CA CYS A 13 -35.113 -5.184 15.422 1.00 0.00 C ATOM 173 C CYS A 13 -36.336 -5.498 14.564 1.00 0.00 C ATOM 174 O CYS A 13 -37.310 -6.077 15.041 1.00 0.00 O ATOM 175 CB CYS A 13 -35.089 -3.689 15.750 1.00 0.00 C ATOM 176 SG CYS A 13 -36.606 -3.239 16.627 1.00 0.00 S ATOM 0 H CYS A 13 -33.246 -4.790 14.549 1.00 0.00 H new ATOM 0 HA CYS A 13 -35.173 -5.757 16.347 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -34.219 -3.454 16.363 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -35.000 -3.106 14.833 1.00 0.00 H new ATOM 0 HG CYS A 13 -36.585 -1.970 16.907 1.00 0.00 H new ATOM 182 N CYS A 14 -36.277 -5.112 13.293 1.00 0.00 N ATOM 183 CA CYS A 14 -37.387 -5.357 12.381 1.00 0.00 C ATOM 184 C CYS A 14 -37.644 -6.855 12.248 1.00 0.00 C ATOM 185 O CYS A 14 -38.792 -7.299 12.225 1.00 0.00 O ATOM 186 CB CYS A 14 -37.067 -4.766 11.005 1.00 0.00 C ATOM 187 SG CYS A 14 -37.087 -2.960 11.106 1.00 0.00 S ATOM 0 H CYS A 14 -35.480 -4.633 12.875 1.00 0.00 H new ATOM 0 HA CYS A 14 -38.281 -4.880 12.782 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -36.090 -5.111 10.667 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -37.797 -5.108 10.272 1.00 0.00 H new ATOM 0 HG CYS A 14 -36.813 -2.457 9.939 1.00 0.00 H new ATOM 193 N LEU A 15 -36.571 -7.630 12.161 1.00 0.00 N ATOM 194 CA LEU A 15 -36.696 -9.077 12.033 1.00 0.00 C ATOM 195 C LEU A 15 -37.357 -9.668 13.269 1.00 0.00 C ATOM 196 O LEU A 15 -38.181 -10.578 13.169 1.00 0.00 O ATOM 197 CB LEU A 15 -35.306 -9.691 11.848 1.00 0.00 C ATOM 198 CG LEU A 15 -34.757 -9.319 10.455 1.00 0.00 C ATOM 199 CD1 LEU A 15 -33.226 -9.370 10.478 1.00 0.00 C ATOM 200 CD2 LEU A 15 -35.274 -10.324 9.409 1.00 0.00 C ATOM 0 H LEU A 15 -35.611 -7.285 12.176 1.00 0.00 H new ATOM 0 HA LEU A 15 -37.318 -9.302 11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -34.632 -9.330 12.624 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -35.359 -10.775 11.951 1.00 0.00 H new ATOM 0 HG LEU A 15 -35.091 -8.314 10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -32.838 -9.107 9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -32.849 -8.663 11.217 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -32.899 -10.376 10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -34.885 -10.059 8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -34.940 -11.328 9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -36.363 -10.298 9.387 1.00 0.00 H new ATOM 212 N THR A 16 -36.990 -9.146 14.432 1.00 0.00 N ATOM 213 CA THR A 16 -37.553 -9.629 15.686 1.00 0.00 C ATOM 214 C THR A 16 -38.946 -9.049 15.894 1.00 0.00 C ATOM 215 O THR A 16 -39.713 -9.528 16.728 1.00 0.00 O ATOM 216 CB THR A 16 -36.649 -9.233 16.856 1.00 0.00 C ATOM 217 OG1 THR A 16 -35.296 -9.503 16.515 1.00 0.00 O ATOM 218 CG2 THR A 16 -37.031 -10.048 18.096 1.00 0.00 C ATOM 0 H THR A 16 -36.309 -8.393 14.533 1.00 0.00 H new ATOM 0 HA THR A 16 -37.623 -10.716 15.641 1.00 0.00 H new ATOM 0 HB THR A 16 -36.770 -8.171 17.067 1.00 0.00 H new ATOM 0 HG1 THR A 16 -34.956 -8.790 15.935 1.00 0.00 H new ATOM 0 HG21 THR A 16 -36.387 -9.766 18.929 1.00 0.00 H new ATOM 0 HG22 THR A 16 -38.070 -9.848 18.357 1.00 0.00 H new ATOM 0 HG23 THR A 16 -36.907 -11.110 17.885 1.00 0.00 H new ATOM 226 N LEU A 17 -39.267 -8.005 15.133 1.00 0.00 N ATOM 227 CA LEU A 17 -40.568 -7.367 15.255 1.00 0.00 C ATOM 228 C LEU A 17 -41.638 -8.229 14.594 1.00 0.00 C ATOM 229 O LEU A 17 -41.575 -8.502 13.394 1.00 0.00 O ATOM 230 CB LEU A 17 -40.539 -5.984 14.590 1.00 0.00 C ATOM 231 CG LEU A 17 -41.900 -5.288 14.759 1.00 0.00 C ATOM 232 CD1 LEU A 17 -42.175 -5.027 16.252 1.00 0.00 C ATOM 233 CD2 LEU A 17 -41.893 -3.964 13.992 1.00 0.00 C ATOM 0 H LEU A 17 -38.650 -7.590 14.435 1.00 0.00 H new ATOM 0 HA LEU A 17 -40.804 -7.252 16.313 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -39.752 -5.374 15.035 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -40.303 -6.086 13.531 1.00 0.00 H new ATOM 0 HG LEU A 17 -42.686 -5.931 14.363 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -43.141 -4.534 16.363 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -42.187 -5.974 16.791 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -41.392 -4.388 16.660 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -42.857 -3.470 14.111 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -41.105 -3.321 14.383 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -41.712 -4.157 12.935 1.00 0.00 H new ATOM 245 N ARG A 18 -42.624 -8.651 15.381 1.00 0.00 N ATOM 246 CA ARG A 18 -43.700 -9.483 14.860 1.00 0.00 C ATOM 247 C ARG A 18 -44.523 -8.717 13.831 1.00 0.00 C ATOM 248 O ARG A 18 -44.927 -7.579 14.068 1.00 0.00 O ATOM 249 CB ARG A 18 -44.610 -9.940 16.004 1.00 0.00 C ATOM 250 CG ARG A 18 -43.843 -10.903 16.912 1.00 0.00 C ATOM 251 CD ARG A 18 -44.736 -11.320 18.083 1.00 0.00 C ATOM 252 NE ARG A 18 -45.897 -12.057 17.593 1.00 0.00 N ATOM 253 CZ ARG A 18 -46.883 -12.406 18.411 1.00 0.00 C ATOM 254 NH1 ARG A 18 -47.912 -13.064 17.950 1.00 0.00 N ATOM 255 NH2 ARG A 18 -46.824 -12.091 19.677 1.00 0.00 N ATOM 0 H ARG A 18 -42.699 -8.432 16.374 1.00 0.00 H new ATOM 0 HA ARG A 18 -43.256 -10.354 14.378 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -44.953 -9.078 16.577 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -45.498 -10.430 15.603 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -43.531 -11.782 16.347 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -42.937 -10.425 17.284 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -44.170 -11.939 18.779 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -45.062 -10.438 18.634 1.00 0.00 H new ATOM 0 HE ARG A 18 -45.952 -12.308 16.606 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -47.959 -13.310 16.961 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -48.669 -13.332 18.579 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -46.020 -11.577 20.038 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -47.582 -12.359 20.305 1.00 0.00 H new ATOM 269 N THR A 19 -44.772 -9.352 12.687 1.00 0.00 N ATOM 270 CA THR A 19 -45.554 -8.723 11.623 1.00 0.00 C ATOM 271 C THR A 19 -47.000 -9.206 11.672 1.00 0.00 C ATOM 272 O THR A 19 -47.267 -10.407 11.645 1.00 0.00 O ATOM 273 CB THR A 19 -44.941 -9.058 10.262 1.00 0.00 C ATOM 274 OG1 THR A 19 -43.599 -8.591 10.222 1.00 0.00 O ATOM 275 CG2 THR A 19 -45.750 -8.372 9.161 1.00 0.00 C ATOM 0 H THR A 19 -44.447 -10.295 12.473 1.00 0.00 H new ATOM 0 HA THR A 19 -45.540 -7.643 11.768 1.00 0.00 H new ATOM 0 HB THR A 19 -44.956 -10.137 10.109 1.00 0.00 H new ATOM 0 HG1 THR A 19 -43.204 -8.806 9.351 1.00 0.00 H new ATOM 0 HG21 THR A 19 -45.316 -8.608 8.190 1.00 0.00 H new ATOM 0 HG22 THR A 19 -46.781 -8.725 9.193 1.00 0.00 H new ATOM 0 HG23 THR A 19 -45.731 -7.293 9.314 1.00 0.00 H new ATOM 283 N GLU A 20 -47.931 -8.263 11.748 1.00 0.00 N ATOM 284 CA GLU A 20 -49.346 -8.610 11.800 1.00 0.00 C ATOM 285 C GLU A 20 -49.809 -9.165 10.457 1.00 0.00 C ATOM 286 O GLU A 20 -49.528 -8.589 9.409 1.00 0.00 O ATOM 287 CB GLU A 20 -50.174 -7.374 12.155 1.00 0.00 C ATOM 288 CG GLU A 20 -49.897 -6.972 13.605 1.00 0.00 C ATOM 289 CD GLU A 20 -50.642 -5.685 13.940 1.00 0.00 C ATOM 290 OE1 GLU A 20 -51.168 -5.073 13.026 1.00 0.00 O ATOM 291 OE2 GLU A 20 -50.677 -5.331 15.108 1.00 0.00 O ATOM 0 H GLU A 20 -47.735 -7.262 11.775 1.00 0.00 H new ATOM 0 HA GLU A 20 -49.487 -9.373 12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -49.925 -6.552 11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -51.235 -7.584 12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -50.211 -7.770 14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -48.826 -6.832 13.754 1.00 0.00 H new ATOM 298 N GLY A 21 -50.524 -10.285 10.499 1.00 0.00 N ATOM 299 CA GLY A 21 -51.027 -10.908 9.278 1.00 0.00 C ATOM 300 C GLY A 21 -50.014 -11.900 8.719 1.00 0.00 C ATOM 301 O GLY A 21 -50.312 -12.640 7.784 1.00 0.00 O ATOM 0 H GLY A 21 -50.767 -10.777 11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -51.967 -11.419 9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -51.240 -10.140 8.534 1.00 0.00 H new ATOM 305 N LYS A 22 -48.816 -11.914 9.302 1.00 0.00 N ATOM 306 CA LYS A 22 -47.760 -12.824 8.854 1.00 0.00 C ATOM 307 C LYS A 22 -47.020 -13.413 10.041 1.00 0.00 C ATOM 308 O LYS A 22 -46.807 -12.742 11.053 1.00 0.00 O ATOM 309 CB LYS A 22 -46.770 -12.076 7.955 1.00 0.00 C ATOM 310 CG LYS A 22 -47.504 -11.526 6.709 1.00 0.00 C ATOM 311 CD LYS A 22 -47.936 -10.079 6.955 1.00 0.00 C ATOM 312 CE LYS A 22 -48.967 -9.668 5.910 1.00 0.00 C ATOM 313 NZ LYS A 22 -48.350 -9.741 4.557 1.00 0.00 N ATOM 0 H LYS A 22 -48.552 -11.310 10.081 1.00 0.00 H new ATOM 0 HA LYS A 22 -48.223 -13.634 8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -46.310 -11.257 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -45.966 -12.745 7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -46.849 -11.576 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -48.376 -12.142 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -48.358 -9.980 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -47.071 -9.417 6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -49.836 -10.324 5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -49.319 -8.656 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -48.946 -9.230 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -47.405 -9.308 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -48.267 -10.736 4.266 1.00 0.00 H new ATOM 327 N GLU A 23 -46.636 -14.679 9.909 1.00 0.00 N ATOM 328 CA GLU A 23 -45.932 -15.354 10.980 1.00 0.00 C ATOM 329 C GLU A 23 -44.518 -14.789 11.139 1.00 0.00 C ATOM 330 O GLU A 23 -43.912 -14.329 10.168 1.00 0.00 O ATOM 331 CB GLU A 23 -45.861 -16.859 10.696 1.00 0.00 C ATOM 332 CG GLU A 23 -45.187 -17.094 9.348 1.00 0.00 C ATOM 333 CD GLU A 23 -45.079 -18.590 9.078 1.00 0.00 C ATOM 334 OE1 GLU A 23 -45.336 -19.360 9.989 1.00 0.00 O ATOM 335 OE2 GLU A 23 -44.742 -18.945 7.960 1.00 0.00 O ATOM 0 H GLU A 23 -46.801 -15.248 9.079 1.00 0.00 H new ATOM 0 HA GLU A 23 -46.479 -15.188 11.908 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -45.303 -17.362 11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -46.864 -17.286 10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -45.760 -16.613 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -44.195 -16.642 9.343 1.00 0.00 H new ATOM 342 N PRO A 24 -43.970 -14.831 12.332 1.00 0.00 N ATOM 343 CA PRO A 24 -42.589 -14.336 12.599 1.00 0.00 C ATOM 344 C PRO A 24 -41.598 -14.820 11.541 1.00 0.00 C ATOM 345 O PRO A 24 -41.879 -15.752 10.790 1.00 0.00 O ATOM 346 CB PRO A 24 -42.246 -14.932 13.974 1.00 0.00 C ATOM 347 CG PRO A 24 -43.560 -15.168 14.656 1.00 0.00 C ATOM 348 CD PRO A 24 -44.612 -15.335 13.562 1.00 0.00 C ATOM 0 HA PRO A 24 -42.532 -13.248 12.575 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -41.687 -15.862 13.869 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -41.623 -14.249 14.552 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -43.513 -16.058 15.284 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -43.811 -14.331 15.307 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -44.906 -16.379 13.454 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -45.516 -14.772 13.795 1.00 0.00 H new ATOM 356 N ASP A 25 -40.441 -14.171 11.488 1.00 0.00 N ATOM 357 CA ASP A 25 -39.410 -14.533 10.519 1.00 0.00 C ATOM 358 C ASP A 25 -38.032 -14.325 11.118 1.00 0.00 C ATOM 359 O ASP A 25 -37.877 -13.610 12.109 1.00 0.00 O ATOM 360 CB ASP A 25 -39.557 -13.679 9.262 1.00 0.00 C ATOM 361 CG ASP A 25 -40.938 -13.889 8.650 1.00 0.00 C ATOM 362 OD1 ASP A 25 -41.338 -15.033 8.518 1.00 0.00 O ATOM 363 OD2 ASP A 25 -41.575 -12.901 8.323 1.00 0.00 O ATOM 0 H ASP A 25 -40.192 -13.395 12.101 1.00 0.00 H new ATOM 0 HA ASP A 25 -39.528 -15.584 10.257 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -39.415 -12.627 9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -38.785 -13.944 8.539 1.00 0.00 H new ATOM 368 N ILE A 26 -37.030 -14.959 10.515 1.00 0.00 N ATOM 369 CA ILE A 26 -35.661 -14.840 11.001 1.00 0.00 C ATOM 370 C ILE A 26 -34.695 -14.627 9.836 1.00 0.00 C ATOM 371 O ILE A 26 -34.938 -15.101 8.728 1.00 0.00 O ATOM 372 CB ILE A 26 -35.270 -16.104 11.771 1.00 0.00 C ATOM 373 CG1 ILE A 26 -35.540 -17.333 10.906 1.00 0.00 C ATOM 374 CG2 ILE A 26 -36.085 -16.186 13.059 1.00 0.00 C ATOM 375 CD1 ILE A 26 -34.909 -18.562 11.560 1.00 0.00 C ATOM 0 H ILE A 26 -37.140 -15.556 9.695 1.00 0.00 H new ATOM 0 HA ILE A 26 -35.603 -13.978 11.666 1.00 0.00 H new ATOM 0 HB ILE A 26 -34.209 -16.068 12.019 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -36.614 -17.480 10.789 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -35.128 -17.187 9.908 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -35.808 -17.086 13.608 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -35.883 -15.309 13.674 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -37.147 -16.222 12.816 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -35.101 -19.441 10.944 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -33.833 -18.412 11.654 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -35.342 -18.711 12.549 1.00 0.00 H new ATOM 387 N PRO A 27 -33.612 -13.931 10.071 1.00 0.00 N ATOM 388 CA PRO A 27 -32.590 -13.659 9.019 1.00 0.00 C ATOM 389 C PRO A 27 -31.832 -14.921 8.626 1.00 0.00 C ATOM 390 O PRO A 27 -31.587 -15.792 9.457 1.00 0.00 O ATOM 391 CB PRO A 27 -31.654 -12.639 9.690 1.00 0.00 C ATOM 392 CG PRO A 27 -31.794 -12.907 11.154 1.00 0.00 C ATOM 393 CD PRO A 27 -33.238 -13.319 11.361 1.00 0.00 C ATOM 0 HA PRO A 27 -33.032 -13.294 8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -30.623 -12.769 9.360 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -31.941 -11.616 9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -31.113 -13.695 11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -31.553 -12.020 11.739 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -33.339 -14.026 12.185 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -33.870 -12.462 11.597 1.00 0.00 H new ATOM 401 N LEU A 28 -31.452 -15.004 7.358 1.00 0.00 N ATOM 402 CA LEU A 28 -30.704 -16.156 6.860 1.00 0.00 C ATOM 403 C LEU A 28 -29.610 -15.701 5.904 1.00 0.00 C ATOM 404 O LEU A 28 -29.889 -15.242 4.798 1.00 0.00 O ATOM 405 CB LEU A 28 -31.649 -17.111 6.139 1.00 0.00 C ATOM 406 CG LEU A 28 -32.577 -16.308 5.183 1.00 0.00 C ATOM 407 CD1 LEU A 28 -32.593 -16.968 3.802 1.00 0.00 C ATOM 408 CD2 LEU A 28 -34.003 -16.280 5.746 1.00 0.00 C ATOM 0 H LEU A 28 -31.648 -14.291 6.655 1.00 0.00 H new ATOM 0 HA LEU A 28 -30.245 -16.669 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -31.077 -17.846 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -32.247 -17.662 6.864 1.00 0.00 H new ATOM 0 HG LEU A 28 -32.200 -15.289 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -33.244 -16.402 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -31.582 -16.983 3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -32.964 -17.989 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -34.649 -15.716 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -34.377 -17.299 5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -33.998 -15.804 6.727 1.00 0.00 H new ATOM 420 N TYR A 29 -28.362 -15.831 6.335 1.00 0.00 N ATOM 421 CA TYR A 29 -27.232 -15.431 5.504 1.00 0.00 C ATOM 422 C TYR A 29 -26.703 -16.625 4.724 1.00 0.00 C ATOM 423 O TYR A 29 -26.048 -17.499 5.288 1.00 0.00 O ATOM 424 CB TYR A 29 -26.118 -14.872 6.390 1.00 0.00 C ATOM 425 CG TYR A 29 -26.654 -13.712 7.200 1.00 0.00 C ATOM 426 CD1 TYR A 29 -26.844 -13.846 8.582 1.00 0.00 C ATOM 427 CD2 TYR A 29 -26.963 -12.502 6.566 1.00 0.00 C ATOM 428 CE1 TYR A 29 -27.341 -12.771 9.327 1.00 0.00 C ATOM 429 CE2 TYR A 29 -27.462 -11.428 7.311 1.00 0.00 C ATOM 430 CZ TYR A 29 -27.649 -11.561 8.693 1.00 0.00 C ATOM 431 OH TYR A 29 -28.139 -10.502 9.428 1.00 0.00 O ATOM 0 H TYR A 29 -28.107 -16.207 7.248 1.00 0.00 H new ATOM 0 HA TYR A 29 -27.565 -14.666 4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -25.741 -15.650 7.054 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -25.280 -14.544 5.775 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -26.607 -14.779 9.072 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -26.816 -12.398 5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -27.487 -12.875 10.392 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -27.703 -10.496 6.821 1.00 0.00 H new ATOM 0 HH TYR A 29 -28.299 -9.738 8.835 1.00 0.00 H new ATOM 441 N LYS A 30 -26.986 -16.654 3.421 1.00 0.00 N ATOM 442 CA LYS A 30 -26.529 -17.749 2.562 1.00 0.00 C ATOM 443 C LYS A 30 -25.888 -17.201 1.302 1.00 0.00 C ATOM 444 O LYS A 30 -26.415 -16.287 0.676 1.00 0.00 O ATOM 445 CB LYS A 30 -27.720 -18.634 2.185 1.00 0.00 C ATOM 446 CG LYS A 30 -28.416 -19.147 3.451 1.00 0.00 C ATOM 447 CD LYS A 30 -27.518 -20.164 4.167 1.00 0.00 C ATOM 448 CE LYS A 30 -28.306 -20.849 5.276 1.00 0.00 C ATOM 449 NZ LYS A 30 -27.455 -21.898 5.902 1.00 0.00 N ATOM 0 H LYS A 30 -27.527 -15.936 2.939 1.00 0.00 H new ATOM 0 HA LYS A 30 -25.790 -18.337 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -28.425 -18.068 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -27.381 -19.475 1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -28.638 -18.313 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -29.368 -19.610 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -27.152 -20.905 3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -26.644 -19.663 4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.614 -20.119 6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -29.215 -21.294 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.987 -22.370 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.182 -22.598 5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.600 -21.460 6.300 1.00 0.00 H new ATOM 463 N THR A 31 -24.744 -17.778 0.935 1.00 0.00 N ATOM 464 CA THR A 31 -24.018 -17.354 -0.265 1.00 0.00 C ATOM 465 C THR A 31 -23.810 -18.532 -1.206 1.00 0.00 C ATOM 466 O THR A 31 -23.564 -19.653 -0.766 1.00 0.00 O ATOM 467 CB THR A 31 -22.666 -16.765 0.126 1.00 0.00 C ATOM 468 OG1 THR A 31 -21.943 -16.437 -1.049 1.00 0.00 O ATOM 469 CG2 THR A 31 -21.883 -17.784 0.951 1.00 0.00 C ATOM 0 H THR A 31 -24.300 -18.539 1.449 1.00 0.00 H new ATOM 0 HA THR A 31 -24.609 -16.595 -0.777 1.00 0.00 H new ATOM 0 HB THR A 31 -22.815 -15.865 0.722 1.00 0.00 H new ATOM 0 HG1 THR A 31 -22.190 -15.536 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 31 -20.917 -17.362 1.230 1.00 0.00 H new ATOM 0 HG22 THR A 31 -22.444 -18.031 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 31 -21.727 -18.687 0.361 1.00 0.00 H new ATOM 477 N LEU A 32 -23.911 -18.270 -2.507 1.00 0.00 N ATOM 478 CA LEU A 32 -23.728 -19.319 -3.508 1.00 0.00 C ATOM 479 C LEU A 32 -23.063 -18.749 -4.755 1.00 0.00 C ATOM 480 O LEU A 32 -23.244 -19.266 -5.857 1.00 0.00 O ATOM 481 CB LEU A 32 -25.082 -19.920 -3.887 1.00 0.00 C ATOM 482 CG LEU A 32 -26.104 -18.785 -4.160 1.00 0.00 C ATOM 483 CD1 LEU A 32 -27.055 -19.201 -5.286 1.00 0.00 C ATOM 484 CD2 LEU A 32 -26.917 -18.499 -2.888 1.00 0.00 C ATOM 0 H LEU A 32 -24.117 -17.348 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 32 -23.090 -20.095 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -24.977 -20.547 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -25.443 -20.561 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 32 -25.563 -17.886 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -27.770 -18.400 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -26.482 -19.395 -6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -27.590 -20.105 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -27.633 -17.701 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -27.452 -19.400 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -26.244 -18.192 -2.087 1.00 0.00 H new ATOM 496 N GLN A 33 -22.301 -17.676 -4.575 1.00 0.00 N ATOM 497 CA GLN A 33 -21.613 -17.042 -5.695 1.00 0.00 C ATOM 498 C GLN A 33 -20.446 -16.202 -5.195 1.00 0.00 C ATOM 499 O GLN A 33 -20.500 -15.637 -4.104 1.00 0.00 O ATOM 500 CB GLN A 33 -22.586 -16.159 -6.476 1.00 0.00 C ATOM 501 CG GLN A 33 -21.874 -15.569 -7.695 1.00 0.00 C ATOM 502 CD GLN A 33 -22.876 -14.830 -8.575 1.00 0.00 C ATOM 503 OE1 GLN A 33 -24.018 -14.614 -8.170 1.00 0.00 O ATOM 504 NE2 GLN A 33 -22.516 -14.431 -9.764 1.00 0.00 N ATOM 0 H GLN A 33 -22.144 -17.229 -3.672 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.230 -17.823 -6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -23.449 -16.744 -6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -22.960 -15.359 -5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -21.088 -14.887 -7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -21.393 -16.363 -8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.569 -14.611 -10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -23.182 -13.939 -10.360 1.00 0.00 H new ATOM 513 N THR A 34 -19.387 -16.129 -5.998 1.00 0.00 N ATOM 514 CA THR A 34 -18.200 -15.353 -5.630 1.00 0.00 C ATOM 515 C THR A 34 -17.755 -14.488 -6.802 1.00 0.00 C ATOM 516 O THR A 34 -17.914 -14.868 -7.960 1.00 0.00 O ATOM 517 CB THR A 34 -17.067 -16.297 -5.229 1.00 0.00 C ATOM 518 OG1 THR A 34 -15.960 -15.531 -4.777 1.00 0.00 O ATOM 519 CG2 THR A 34 -16.650 -17.141 -6.434 1.00 0.00 C ATOM 0 H THR A 34 -19.324 -16.594 -6.904 1.00 0.00 H new ATOM 0 HA THR A 34 -18.448 -14.709 -4.787 1.00 0.00 H new ATOM 0 HB THR A 34 -17.406 -16.957 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.276 -14.818 -4.183 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.842 -17.813 -6.145 1.00 0.00 H new ATOM 0 HG22 THR A 34 -17.502 -17.726 -6.781 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.308 -16.487 -7.236 1.00 0.00 H new ATOM 527 N VAL A 35 -17.211 -13.319 -6.486 1.00 0.00 N ATOM 528 CA VAL A 35 -16.749 -12.376 -7.510 1.00 0.00 C ATOM 529 C VAL A 35 -15.312 -11.952 -7.239 1.00 0.00 C ATOM 530 O VAL A 35 -14.850 -11.978 -6.098 1.00 0.00 O ATOM 531 CB VAL A 35 -17.649 -11.144 -7.532 1.00 0.00 C ATOM 532 CG1 VAL A 35 -17.137 -10.164 -8.589 1.00 0.00 C ATOM 533 CG2 VAL A 35 -19.080 -11.562 -7.878 1.00 0.00 C ATOM 0 H VAL A 35 -17.077 -12.996 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.793 -12.874 -8.479 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.638 -10.667 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.777 -9.282 -8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.117 -9.867 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.151 -10.644 -9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.723 -10.682 -7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.093 -12.038 -8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.445 -12.264 -7.129 1.00 0.00 H new ATOM 543 N GLY A 36 -14.604 -11.580 -8.298 1.00 0.00 N ATOM 544 CA GLY A 36 -13.214 -11.166 -8.165 1.00 0.00 C ATOM 545 C GLY A 36 -12.293 -12.369 -7.998 1.00 0.00 C ATOM 546 O GLY A 36 -11.502 -12.432 -7.056 1.00 0.00 O ATOM 0 H GLY A 36 -14.966 -11.557 -9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.916 -10.596 -9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.110 -10.503 -7.306 1.00 0.00 H new ATOM 550 N PRO A 37 -12.380 -13.315 -8.897 1.00 0.00 N ATOM 551 CA PRO A 37 -11.534 -14.544 -8.861 1.00 0.00 C ATOM 552 C PRO A 37 -10.075 -14.238 -9.184 1.00 0.00 C ATOM 553 O PRO A 37 -9.769 -13.232 -9.823 1.00 0.00 O ATOM 554 CB PRO A 37 -12.165 -15.448 -9.933 1.00 0.00 C ATOM 555 CG PRO A 37 -12.829 -14.505 -10.888 1.00 0.00 C ATOM 556 CD PRO A 37 -13.299 -13.316 -10.052 1.00 0.00 C ATOM 0 HA PRO A 37 -11.512 -15.006 -7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.410 -16.052 -10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.885 -16.138 -9.494 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.135 -14.185 -11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.669 -14.985 -11.389 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.238 -12.383 -10.613 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.336 -13.432 -9.738 1.00 0.00 H new ATOM 564 N SER A 38 -9.182 -15.114 -8.736 1.00 0.00 N ATOM 565 CA SER A 38 -7.755 -14.936 -8.982 1.00 0.00 C ATOM 566 C SER A 38 -7.199 -13.814 -8.112 1.00 0.00 C ATOM 567 O SER A 38 -6.308 -14.038 -7.291 1.00 0.00 O ATOM 568 CB SER A 38 -7.516 -14.607 -10.459 1.00 0.00 C ATOM 569 OG SER A 38 -7.576 -13.199 -10.644 1.00 0.00 O ATOM 0 H SER A 38 -9.419 -15.951 -8.203 1.00 0.00 H new ATOM 0 HA SER A 38 -7.242 -15.864 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.544 -14.985 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.266 -15.099 -11.079 1.00 0.00 H new ATOM 0 HG SER A 38 -8.512 -12.919 -10.727 1.00 0.00 H new ATOM 575 N HIS A 39 -7.732 -12.609 -8.294 1.00 0.00 N ATOM 576 CA HIS A 39 -7.282 -11.459 -7.516 1.00 0.00 C ATOM 577 C HIS A 39 -7.950 -11.453 -6.144 1.00 0.00 C ATOM 578 O HIS A 39 -7.729 -12.352 -5.337 1.00 0.00 O ATOM 579 CB HIS A 39 -7.616 -10.164 -8.259 1.00 0.00 C ATOM 580 CG HIS A 39 -6.741 -10.038 -9.474 1.00 0.00 C ATOM 581 ND1 HIS A 39 -6.810 -8.946 -10.324 1.00 0.00 N ATOM 582 CD2 HIS A 39 -5.773 -10.860 -9.996 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.909 -9.137 -11.304 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.249 -10.289 -11.152 1.00 0.00 N ATOM 0 H HIS A 39 -8.470 -12.404 -8.968 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.203 -11.529 -7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.666 -10.162 -8.553 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.468 -9.307 -7.602 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.465 -11.805 -9.574 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.740 -8.444 -12.115 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.518 -10.668 -11.754 1.00 0.00 H new ATOM 592 N ALA A 40 -8.770 -10.433 -5.890 1.00 0.00 N ATOM 593 CA ALA A 40 -9.465 -10.323 -4.615 1.00 0.00 C ATOM 594 C ALA A 40 -10.777 -11.098 -4.659 1.00 0.00 C ATOM 595 O ALA A 40 -11.733 -10.681 -5.315 1.00 0.00 O ATOM 596 CB ALA A 40 -9.745 -8.852 -4.302 1.00 0.00 C ATOM 0 H ALA A 40 -8.966 -9.678 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.833 -10.745 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.265 -8.776 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.803 -8.306 -4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.367 -8.425 -5.089 1.00 0.00 H new ATOM 602 N ARG A 41 -10.818 -12.224 -3.956 1.00 0.00 N ATOM 603 CA ARG A 41 -12.021 -13.046 -3.922 1.00 0.00 C ATOM 604 C ARG A 41 -13.042 -12.452 -2.961 1.00 0.00 C ATOM 605 O ARG A 41 -12.723 -12.164 -1.809 1.00 0.00 O ATOM 606 CB ARG A 41 -11.669 -14.469 -3.476 1.00 0.00 C ATOM 607 CG ARG A 41 -12.931 -15.335 -3.482 1.00 0.00 C ATOM 608 CD ARG A 41 -12.556 -16.785 -3.173 1.00 0.00 C ATOM 609 NE ARG A 41 -11.736 -17.334 -4.247 1.00 0.00 N ATOM 610 CZ ARG A 41 -11.226 -18.558 -4.165 1.00 0.00 C ATOM 611 NH1 ARG A 41 -10.493 -19.026 -5.138 1.00 0.00 N ATOM 612 NH2 ARG A 41 -11.461 -19.294 -3.112 1.00 0.00 N ATOM 0 H ARG A 41 -10.039 -12.586 -3.406 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.450 -13.074 -4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.920 -14.895 -4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.233 -14.451 -2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.641 -14.966 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.422 -15.274 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.013 -16.834 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.459 -17.384 -3.053 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.551 -16.768 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.312 -18.452 -5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.101 -19.966 -5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.036 -18.929 -2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.070 -20.234 -3.049 1.00 0.00 H new ATOM 626 N THR A 42 -14.271 -12.274 -3.441 1.00 0.00 N ATOM 627 CA THR A 42 -15.341 -11.711 -2.613 1.00 0.00 C ATOM 628 C THR A 42 -16.576 -12.600 -2.675 1.00 0.00 C ATOM 629 O THR A 42 -16.819 -13.270 -3.676 1.00 0.00 O ATOM 630 CB THR A 42 -15.698 -10.310 -3.108 1.00 0.00 C ATOM 631 OG1 THR A 42 -16.259 -10.397 -4.410 1.00 0.00 O ATOM 632 CG2 THR A 42 -14.433 -9.448 -3.155 1.00 0.00 C ATOM 0 H THR A 42 -14.552 -12.509 -4.393 1.00 0.00 H new ATOM 0 HA THR A 42 -14.992 -11.654 -1.582 1.00 0.00 H new ATOM 0 HB THR A 42 -16.421 -9.858 -2.429 1.00 0.00 H new ATOM 0 HG1 THR A 42 -15.800 -11.098 -4.918 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.687 -8.448 -3.508 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.001 -9.381 -2.157 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.710 -9.900 -3.834 1.00 0.00 H new ATOM 640 N TYR A 43 -17.351 -12.603 -1.593 1.00 0.00 N ATOM 641 CA TYR A 43 -18.566 -13.418 -1.521 1.00 0.00 C ATOM 642 C TYR A 43 -19.799 -12.533 -1.583 1.00 0.00 C ATOM 643 O TYR A 43 -19.786 -11.406 -1.091 1.00 0.00 O ATOM 644 CB TYR A 43 -18.577 -14.219 -0.221 1.00 0.00 C ATOM 645 CG TYR A 43 -17.422 -15.191 -0.224 1.00 0.00 C ATOM 646 CD1 TYR A 43 -16.171 -14.795 0.265 1.00 0.00 C ATOM 647 CD2 TYR A 43 -17.602 -16.491 -0.715 1.00 0.00 C ATOM 648 CE1 TYR A 43 -15.101 -15.697 0.265 1.00 0.00 C ATOM 649 CE2 TYR A 43 -16.531 -17.393 -0.716 1.00 0.00 C ATOM 650 CZ TYR A 43 -15.280 -16.996 -0.227 1.00 0.00 C ATOM 651 OH TYR A 43 -14.226 -17.885 -0.227 1.00 0.00 O ATOM 0 H TYR A 43 -17.162 -12.053 -0.755 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.578 -14.103 -2.369 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -18.500 -13.547 0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.520 -14.757 -0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -16.032 -13.793 0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.566 -16.797 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.137 -15.391 0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.670 -18.395 -1.094 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.521 -18.742 -0.601 1.00 0.00 H new ATOM 661 N THR A 44 -20.864 -13.044 -2.196 1.00 0.00 N ATOM 662 CA THR A 44 -22.109 -12.284 -2.320 1.00 0.00 C ATOM 663 C THR A 44 -23.143 -12.807 -1.334 1.00 0.00 C ATOM 664 O THR A 44 -23.235 -14.010 -1.094 1.00 0.00 O ATOM 665 CB THR A 44 -22.651 -12.413 -3.745 1.00 0.00 C ATOM 666 OG1 THR A 44 -22.977 -13.773 -4.007 1.00 0.00 O ATOM 667 CG2 THR A 44 -21.591 -11.941 -4.742 1.00 0.00 C ATOM 0 H THR A 44 -20.892 -13.975 -2.613 1.00 0.00 H new ATOM 0 HA THR A 44 -21.906 -11.236 -2.100 1.00 0.00 H new ATOM 0 HB THR A 44 -23.545 -11.798 -3.849 1.00 0.00 H new ATOM 0 HG1 THR A 44 -22.153 -14.294 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 44 -21.979 -12.034 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 44 -21.342 -10.899 -4.542 1.00 0.00 H new ATOM 0 HG23 THR A 44 -20.696 -12.554 -4.639 1.00 0.00 H new ATOM 675 N VAL A 45 -23.920 -11.891 -0.764 1.00 0.00 N ATOM 676 CA VAL A 45 -24.954 -12.260 0.202 1.00 0.00 C ATOM 677 C VAL A 45 -26.215 -11.442 -0.033 1.00 0.00 C ATOM 678 O VAL A 45 -26.147 -10.250 -0.349 1.00 0.00 O ATOM 679 CB VAL A 45 -24.445 -12.027 1.623 1.00 0.00 C ATOM 680 CG1 VAL A 45 -24.079 -10.554 1.800 1.00 0.00 C ATOM 681 CG2 VAL A 45 -25.541 -12.402 2.622 1.00 0.00 C ATOM 0 H VAL A 45 -23.855 -10.891 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 45 -25.191 -13.316 0.073 1.00 0.00 H new ATOM 0 HB VAL A 45 -23.563 -12.643 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -23.716 -10.389 2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -23.300 -10.285 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -24.960 -9.937 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -25.180 -12.237 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -26.422 -11.785 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -25.803 -13.453 2.497 1.00 0.00 H new ATOM 691 N ALA A 46 -27.371 -12.085 0.132 1.00 0.00 N ATOM 692 CA ALA A 46 -28.654 -11.408 -0.054 1.00 0.00 C ATOM 693 C ALA A 46 -29.629 -11.822 1.040 1.00 0.00 C ATOM 694 O ALA A 46 -29.954 -12.999 1.187 1.00 0.00 O ATOM 695 CB ALA A 46 -29.233 -11.762 -1.425 1.00 0.00 C ATOM 0 H ALA A 46 -27.445 -13.068 0.393 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.496 -10.331 0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -30.189 -11.255 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.542 -11.444 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -29.382 -12.840 -1.490 1.00 0.00 H new ATOM 701 N VAL A 47 -30.089 -10.842 1.809 1.00 0.00 N ATOM 702 CA VAL A 47 -31.029 -11.102 2.897 1.00 0.00 C ATOM 703 C VAL A 47 -32.459 -11.079 2.377 1.00 0.00 C ATOM 704 O VAL A 47 -32.805 -10.248 1.545 1.00 0.00 O ATOM 705 CB VAL A 47 -30.867 -10.052 3.996 1.00 0.00 C ATOM 706 CG1 VAL A 47 -31.870 -10.329 5.120 1.00 0.00 C ATOM 707 CG2 VAL A 47 -29.445 -10.123 4.555 1.00 0.00 C ATOM 0 H VAL A 47 -29.828 -9.862 1.701 1.00 0.00 H new ATOM 0 HA VAL A 47 -30.816 -12.088 3.309 1.00 0.00 H new ATOM 0 HB VAL A 47 -31.050 -9.060 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -31.754 -9.580 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -32.884 -10.284 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -31.687 -11.320 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -29.325 -9.376 5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -29.266 -11.115 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -28.730 -9.929 3.756 1.00 0.00 H new ATOM 717 N TYR A 48 -33.286 -11.992 2.881 1.00 0.00 N ATOM 718 CA TYR A 48 -34.689 -12.071 2.463 1.00 0.00 C ATOM 719 C TYR A 48 -35.603 -11.701 3.620 1.00 0.00 C ATOM 720 O TYR A 48 -35.280 -11.942 4.784 1.00 0.00 O ATOM 721 CB TYR A 48 -35.010 -13.490 1.993 1.00 0.00 C ATOM 722 CG TYR A 48 -34.185 -13.812 0.767 1.00 0.00 C ATOM 723 CD1 TYR A 48 -32.934 -14.424 0.908 1.00 0.00 C ATOM 724 CD2 TYR A 48 -34.673 -13.498 -0.507 1.00 0.00 C ATOM 725 CE1 TYR A 48 -32.170 -14.723 -0.225 1.00 0.00 C ATOM 726 CE2 TYR A 48 -33.908 -13.797 -1.642 1.00 0.00 C ATOM 727 CZ TYR A 48 -32.656 -14.410 -1.501 1.00 0.00 C ATOM 728 OH TYR A 48 -31.904 -14.705 -2.619 1.00 0.00 O ATOM 0 H TYR A 48 -33.013 -12.686 3.577 1.00 0.00 H new ATOM 0 HA TYR A 48 -34.851 -11.371 1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -34.796 -14.205 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -36.072 -13.577 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -32.559 -14.665 1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -35.638 -13.026 -0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -31.205 -15.195 -0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -34.283 -13.555 -2.625 1.00 0.00 H new ATOM 0 HH TYR A 48 -32.388 -14.423 -3.423 1.00 0.00 H new ATOM 738 N PHE A 49 -36.747 -11.107 3.294 1.00 0.00 N ATOM 739 CA PHE A 49 -37.702 -10.703 4.316 1.00 0.00 C ATOM 740 C PHE A 49 -39.115 -10.918 3.819 1.00 0.00 C ATOM 741 O PHE A 49 -39.550 -10.263 2.884 1.00 0.00 O ATOM 742 CB PHE A 49 -37.491 -9.224 4.664 1.00 0.00 C ATOM 743 CG PHE A 49 -38.265 -8.881 5.919 1.00 0.00 C ATOM 744 CD1 PHE A 49 -37.977 -9.544 7.122 1.00 0.00 C ATOM 745 CD2 PHE A 49 -39.274 -7.909 5.885 1.00 0.00 C ATOM 746 CE1 PHE A 49 -38.695 -9.237 8.278 1.00 0.00 C ATOM 747 CE2 PHE A 49 -39.989 -7.601 7.047 1.00 0.00 C ATOM 748 CZ PHE A 49 -39.699 -8.268 8.242 1.00 0.00 C ATOM 0 H PHE A 49 -37.032 -10.897 2.338 1.00 0.00 H new ATOM 0 HA PHE A 49 -37.546 -11.308 5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -36.430 -9.023 4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -37.822 -8.595 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -37.199 -10.292 7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -39.500 -7.397 4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -38.474 -9.750 9.202 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -40.764 -6.849 7.022 1.00 0.00 H new ATOM 0 HZ PHE A 49 -40.253 -8.033 9.139 1.00 0.00 H new ATOM 758 N LYS A 50 -39.830 -11.839 4.462 1.00 0.00 N ATOM 759 CA LYS A 50 -41.209 -12.146 4.083 1.00 0.00 C ATOM 760 C LYS A 50 -41.369 -12.109 2.562 1.00 0.00 C ATOM 761 O LYS A 50 -42.392 -11.649 2.050 1.00 0.00 O ATOM 762 CB LYS A 50 -42.180 -11.157 4.726 1.00 0.00 C ATOM 763 CG LYS A 50 -41.854 -9.727 4.283 1.00 0.00 C ATOM 764 CD LYS A 50 -42.933 -8.772 4.766 1.00 0.00 C ATOM 765 CE LYS A 50 -43.080 -8.875 6.288 1.00 0.00 C ATOM 766 NZ LYS A 50 -43.994 -10.001 6.622 1.00 0.00 N ATOM 0 H LYS A 50 -39.478 -12.386 5.248 1.00 0.00 H new ATOM 0 HA LYS A 50 -41.440 -13.149 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -43.203 -11.407 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -42.119 -11.231 5.812 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -40.886 -9.426 4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -41.778 -9.683 3.197 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -42.678 -7.750 4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -43.882 -9.008 4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -42.105 -9.035 6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -43.473 -7.941 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -44.941 -9.628 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -44.051 -10.653 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -43.629 -10.510 7.452 1.00 0.00 H new ATOM 780 N GLY A 51 -40.354 -12.585 1.852 1.00 0.00 N ATOM 781 CA GLY A 51 -40.394 -12.590 0.395 1.00 0.00 C ATOM 782 C GLY A 51 -39.937 -11.256 -0.184 1.00 0.00 C ATOM 783 O GLY A 51 -40.280 -10.913 -1.313 1.00 0.00 O ATOM 0 H GLY A 51 -39.500 -12.969 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -39.757 -13.389 0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -41.409 -12.805 0.059 1.00 0.00 H new ATOM 787 N GLU A 52 -39.165 -10.506 0.596 1.00 0.00 N ATOM 788 CA GLU A 52 -38.664 -9.202 0.153 1.00 0.00 C ATOM 789 C GLU A 52 -37.205 -9.025 0.559 1.00 0.00 C ATOM 790 O GLU A 52 -36.848 -9.200 1.722 1.00 0.00 O ATOM 791 CB GLU A 52 -39.512 -8.087 0.774 1.00 0.00 C ATOM 792 CG GLU A 52 -40.976 -8.255 0.352 1.00 0.00 C ATOM 793 CD GLU A 52 -41.098 -8.148 -1.164 1.00 0.00 C ATOM 794 OE1 GLU A 52 -40.265 -7.483 -1.759 1.00 0.00 O ATOM 795 OE2 GLU A 52 -42.015 -8.738 -1.710 1.00 0.00 O ATOM 0 H GLU A 52 -38.871 -10.774 1.535 1.00 0.00 H new ATOM 0 HA GLU A 52 -38.733 -9.151 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -39.431 -8.118 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -39.141 -7.113 0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -41.351 -9.222 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -41.590 -7.492 0.829 1.00 0.00 H new ATOM 802 N ARG A 53 -36.369 -8.667 -0.413 1.00 0.00 N ATOM 803 CA ARG A 53 -34.959 -8.463 -0.159 1.00 0.00 C ATOM 804 C ARG A 53 -34.752 -7.213 0.675 1.00 0.00 C ATOM 805 O ARG A 53 -35.305 -6.157 0.366 1.00 0.00 O ATOM 806 CB ARG A 53 -34.196 -8.338 -1.480 1.00 0.00 C ATOM 807 CG ARG A 53 -34.291 -9.659 -2.247 1.00 0.00 C ATOM 808 CD ARG A 53 -33.552 -9.529 -3.580 1.00 0.00 C ATOM 809 NE ARG A 53 -32.121 -9.350 -3.349 1.00 0.00 N ATOM 810 CZ ARG A 53 -31.291 -9.080 -4.352 1.00 0.00 C ATOM 811 NH1 ARG A 53 -30.017 -8.925 -4.119 1.00 0.00 N ATOM 812 NH2 ARG A 53 -31.751 -8.971 -5.568 1.00 0.00 N ATOM 0 H ARG A 53 -36.651 -8.514 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 53 -34.577 -9.323 0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -34.612 -7.527 -2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -33.152 -8.090 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -33.858 -10.467 -1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -35.336 -9.916 -2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -33.721 -10.419 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -33.946 -8.682 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 53 -31.752 -9.434 -2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -29.658 -9.011 -3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -29.379 -8.718 -4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -32.747 -9.093 -5.749 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -31.114 -8.764 -6.337 1.00 0.00 H new ATOM 826 N ILE A 54 -33.950 -7.331 1.729 1.00 0.00 N ATOM 827 CA ILE A 54 -33.672 -6.194 2.605 1.00 0.00 C ATOM 828 C ILE A 54 -32.168 -6.016 2.802 1.00 0.00 C ATOM 829 O ILE A 54 -31.729 -5.233 3.645 1.00 0.00 O ATOM 830 CB ILE A 54 -34.345 -6.404 3.959 1.00 0.00 C ATOM 831 CG1 ILE A 54 -33.904 -7.750 4.545 1.00 0.00 C ATOM 832 CG2 ILE A 54 -35.865 -6.400 3.779 1.00 0.00 C ATOM 833 CD1 ILE A 54 -34.345 -7.848 6.008 1.00 0.00 C ATOM 0 H ILE A 54 -33.483 -8.197 1.998 1.00 0.00 H new ATOM 0 HA ILE A 54 -34.070 -5.295 2.136 1.00 0.00 H new ATOM 0 HB ILE A 54 -34.057 -5.600 4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -34.338 -8.567 3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -32.821 -7.850 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -36.346 -6.550 4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -36.179 -5.443 3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -36.153 -7.204 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -34.029 -8.807 6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -33.890 -7.040 6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -35.430 -7.768 6.067 1.00 0.00 H new ATOM 845 N GLY A 55 -31.384 -6.745 2.019 1.00 0.00 N ATOM 846 CA GLY A 55 -29.932 -6.654 2.112 1.00 0.00 C ATOM 847 C GLY A 55 -29.276 -7.293 0.898 1.00 0.00 C ATOM 848 O GLY A 55 -29.660 -8.380 0.474 1.00 0.00 O ATOM 0 H GLY A 55 -31.725 -7.402 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -29.632 -5.609 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -29.589 -7.149 3.020 1.00 0.00 H new ATOM 852 N CYS A 56 -28.261 -6.622 0.363 1.00 0.00 N ATOM 853 CA CYS A 56 -27.527 -7.141 -0.783 1.00 0.00 C ATOM 854 C CYS A 56 -26.175 -6.446 -0.896 1.00 0.00 C ATOM 855 O CYS A 56 -26.106 -5.250 -1.181 1.00 0.00 O ATOM 856 CB CYS A 56 -28.338 -6.926 -2.060 1.00 0.00 C ATOM 857 SG CYS A 56 -27.442 -7.624 -3.468 1.00 0.00 S ATOM 0 H CYS A 56 -27.929 -5.720 0.705 1.00 0.00 H new ATOM 0 HA CYS A 56 -27.361 -8.209 -0.645 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -29.316 -7.399 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -28.513 -5.862 -2.218 1.00 0.00 H new ATOM 0 HG CYS A 56 -26.243 -7.122 -3.511 1.00 0.00 H new ATOM 863 N GLY A 57 -25.105 -7.197 -0.673 1.00 0.00 N ATOM 864 CA GLY A 57 -23.758 -6.633 -0.750 1.00 0.00 C ATOM 865 C GLY A 57 -22.727 -7.726 -0.991 1.00 0.00 C ATOM 866 O GLY A 57 -23.059 -8.911 -1.004 1.00 0.00 O ATOM 0 H GLY A 57 -25.139 -8.189 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -23.712 -5.899 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -23.526 -6.106 0.176 1.00 0.00 H new ATOM 870 N LYS A 58 -21.471 -7.324 -1.170 1.00 0.00 N ATOM 871 CA LYS A 58 -20.391 -8.286 -1.397 1.00 0.00 C ATOM 872 C LYS A 58 -19.111 -7.823 -0.713 1.00 0.00 C ATOM 873 O LYS A 58 -18.933 -6.635 -0.440 1.00 0.00 O ATOM 874 CB LYS A 58 -20.145 -8.443 -2.897 1.00 0.00 C ATOM 875 CG LYS A 58 -19.677 -7.111 -3.485 1.00 0.00 C ATOM 876 CD LYS A 58 -19.518 -7.253 -4.999 1.00 0.00 C ATOM 877 CE LYS A 58 -18.982 -5.943 -5.578 1.00 0.00 C ATOM 878 NZ LYS A 58 -19.961 -4.849 -5.325 1.00 0.00 N ATOM 0 H LYS A 58 -21.176 -6.348 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 58 -20.686 -9.247 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.394 -9.213 -3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -21.059 -8.769 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.398 -6.326 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.730 -6.815 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.836 -8.071 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.477 -7.500 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.022 -5.698 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.810 -6.050 -6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.772 -4.057 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.926 -5.203 -5.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.870 -4.522 -4.342 1.00 0.00 H new ATOM 892 N GLY A 59 -18.222 -8.770 -0.435 1.00 0.00 N ATOM 893 CA GLY A 59 -16.971 -8.443 0.222 1.00 0.00 C ATOM 894 C GLY A 59 -16.175 -9.703 0.548 1.00 0.00 C ATOM 895 O GLY A 59 -16.551 -10.802 0.148 1.00 0.00 O ATOM 0 H GLY A 59 -18.346 -9.759 -0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.379 -7.791 -0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.172 -7.889 1.139 1.00 0.00 H new ATOM 899 N PRO A 60 -15.080 -9.560 1.252 1.00 0.00 N ATOM 900 CA PRO A 60 -14.210 -10.717 1.630 1.00 0.00 C ATOM 901 C PRO A 60 -14.929 -11.666 2.577 1.00 0.00 C ATOM 902 O PRO A 60 -14.513 -12.808 2.765 1.00 0.00 O ATOM 903 CB PRO A 60 -12.988 -10.062 2.300 1.00 0.00 C ATOM 904 CG PRO A 60 -13.465 -8.718 2.753 1.00 0.00 C ATOM 905 CD PRO A 60 -14.552 -8.287 1.771 1.00 0.00 C ATOM 0 HA PRO A 60 -13.932 -11.330 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.633 -10.658 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.157 -9.970 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.858 -8.768 3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.645 -7.999 2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -15.329 -7.703 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.146 -7.667 0.972 1.00 0.00 H new ATOM 913 N SER A 61 -16.017 -11.183 3.166 1.00 0.00 N ATOM 914 CA SER A 61 -16.802 -11.993 4.089 1.00 0.00 C ATOM 915 C SER A 61 -18.272 -11.608 3.999 1.00 0.00 C ATOM 916 O SER A 61 -18.615 -10.432 3.887 1.00 0.00 O ATOM 917 CB SER A 61 -16.299 -11.778 5.521 1.00 0.00 C ATOM 918 OG SER A 61 -14.960 -12.246 5.625 1.00 0.00 O ATOM 0 H SER A 61 -16.374 -10.239 3.022 1.00 0.00 H new ATOM 0 HA SER A 61 -16.692 -13.044 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.348 -10.721 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.938 -12.309 6.227 1.00 0.00 H new ATOM 0 HG SER A 61 -14.635 -12.108 6.539 1.00 0.00 H new ATOM 924 N LYS A 62 -19.139 -12.613 4.058 1.00 0.00 N ATOM 925 CA LYS A 62 -20.573 -12.377 3.989 1.00 0.00 C ATOM 926 C LYS A 62 -21.082 -11.793 5.299 1.00 0.00 C ATOM 927 O LYS A 62 -22.010 -10.983 5.311 1.00 0.00 O ATOM 928 CB LYS A 62 -21.297 -13.693 3.687 1.00 0.00 C ATOM 929 CG LYS A 62 -21.032 -14.691 4.815 1.00 0.00 C ATOM 930 CD LYS A 62 -21.650 -16.044 4.459 1.00 0.00 C ATOM 931 CE LYS A 62 -21.320 -17.060 5.553 1.00 0.00 C ATOM 932 NZ LYS A 62 -21.958 -16.639 6.831 1.00 0.00 N ATOM 0 H LYS A 62 -18.874 -13.593 4.153 1.00 0.00 H new ATOM 0 HA LYS A 62 -20.773 -11.662 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -22.368 -13.517 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -20.951 -14.101 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.959 -14.800 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -21.456 -14.321 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -22.730 -15.946 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.266 -16.390 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -21.676 -18.049 5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.240 -17.135 5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -21.229 -16.282 7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -22.651 -15.887 6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -22.440 -17.453 7.263 1.00 0.00 H new ATOM 946 N LYS A 63 -20.469 -12.212 6.403 1.00 0.00 N ATOM 947 CA LYS A 63 -20.878 -11.726 7.711 1.00 0.00 C ATOM 948 C LYS A 63 -20.706 -10.209 7.798 1.00 0.00 C ATOM 949 O LYS A 63 -21.625 -9.489 8.177 1.00 0.00 O ATOM 950 CB LYS A 63 -20.024 -12.390 8.791 1.00 0.00 C ATOM 951 CG LYS A 63 -20.431 -13.859 8.942 1.00 0.00 C ATOM 952 CD LYS A 63 -19.398 -14.604 9.793 1.00 0.00 C ATOM 953 CE LYS A 63 -19.451 -14.101 11.238 1.00 0.00 C ATOM 954 NZ LYS A 63 -18.616 -14.978 12.100 1.00 0.00 N ATOM 0 H LYS A 63 -19.697 -12.879 6.416 1.00 0.00 H new ATOM 0 HA LYS A 63 -21.929 -11.973 7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.969 -12.321 8.527 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.150 -11.868 9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.414 -13.926 9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.510 -14.326 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.596 -15.676 9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.399 -14.453 9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.091 -13.073 11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -20.481 -14.097 11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.652 -14.636 13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.979 -15.952 12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.632 -14.960 11.763 1.00 0.00 H new ATOM 968 N GLN A 64 -19.533 -9.732 7.421 1.00 0.00 N ATOM 969 CA GLN A 64 -19.263 -8.298 7.447 1.00 0.00 C ATOM 970 C GLN A 64 -20.122 -7.570 6.418 1.00 0.00 C ATOM 971 O GLN A 64 -20.603 -6.459 6.663 1.00 0.00 O ATOM 972 CB GLN A 64 -17.784 -8.036 7.163 1.00 0.00 C ATOM 973 CG GLN A 64 -17.489 -6.542 7.320 1.00 0.00 C ATOM 974 CD GLN A 64 -16.003 -6.279 7.108 1.00 0.00 C ATOM 975 OE1 GLN A 64 -15.176 -7.161 7.335 1.00 0.00 O ATOM 976 NE2 GLN A 64 -15.613 -5.110 6.678 1.00 0.00 N ATOM 0 H GLN A 64 -18.756 -10.307 7.095 1.00 0.00 H new ATOM 0 HA GLN A 64 -19.511 -7.921 8.439 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -17.164 -8.614 7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.533 -8.363 6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.074 -5.970 6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.788 -6.206 8.313 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -16.300 -4.380 6.490 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.621 -4.926 6.529 1.00 0.00 H new ATOM 985 N ALA A 65 -20.290 -8.193 5.258 1.00 0.00 N ATOM 986 CA ALA A 65 -21.066 -7.590 4.182 1.00 0.00 C ATOM 987 C ALA A 65 -22.508 -7.378 4.607 1.00 0.00 C ATOM 988 O ALA A 65 -23.207 -6.534 4.052 1.00 0.00 O ATOM 989 CB ALA A 65 -21.028 -8.485 2.941 1.00 0.00 C ATOM 0 H ALA A 65 -19.902 -9.110 5.039 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.624 -6.622 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.611 -8.025 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.996 -8.608 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -21.450 -9.460 3.183 1.00 0.00 H new ATOM 995 N LYS A 66 -22.957 -8.156 5.579 1.00 0.00 N ATOM 996 CA LYS A 66 -24.329 -8.038 6.039 1.00 0.00 C ATOM 997 C LYS A 66 -24.629 -6.598 6.457 1.00 0.00 C ATOM 998 O LYS A 66 -25.717 -6.080 6.199 1.00 0.00 O ATOM 999 CB LYS A 66 -24.559 -8.993 7.234 1.00 0.00 C ATOM 1000 CG LYS A 66 -24.366 -8.265 8.581 1.00 0.00 C ATOM 1001 CD LYS A 66 -24.717 -9.180 9.750 1.00 0.00 C ATOM 1002 CE LYS A 66 -23.530 -10.068 10.087 1.00 0.00 C ATOM 1003 NZ LYS A 66 -22.363 -9.207 10.450 1.00 0.00 N ATOM 0 H LYS A 66 -22.401 -8.865 6.057 1.00 0.00 H new ATOM 0 HA LYS A 66 -25.000 -8.310 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -25.566 -9.406 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -23.867 -9.832 7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -23.333 -7.931 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.993 -7.374 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -24.994 -8.584 10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -25.581 -9.794 9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -23.780 -10.732 10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -23.280 -10.701 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.874 -9.614 11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.705 -9.157 9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.697 -8.250 10.684 1.00 0.00 H new ATOM 1017 N MET A 67 -23.675 -5.988 7.170 1.00 0.00 N ATOM 1018 CA MET A 67 -23.877 -4.635 7.671 1.00 0.00 C ATOM 1019 C MET A 67 -24.105 -3.664 6.525 1.00 0.00 C ATOM 1020 O MET A 67 -25.056 -2.879 6.536 1.00 0.00 O ATOM 1021 CB MET A 67 -22.652 -4.190 8.478 1.00 0.00 C ATOM 1022 CG MET A 67 -22.566 -4.987 9.783 1.00 0.00 C ATOM 1023 SD MET A 67 -21.080 -4.501 10.695 1.00 0.00 S ATOM 1024 CE MET A 67 -21.147 -5.809 11.946 1.00 0.00 C ATOM 0 H MET A 67 -22.774 -6.404 7.407 1.00 0.00 H new ATOM 0 HA MET A 67 -24.759 -4.636 8.311 1.00 0.00 H new ATOM 0 HB2 MET A 67 -21.746 -4.339 7.891 1.00 0.00 H new ATOM 0 HB3 MET A 67 -22.718 -3.124 8.697 1.00 0.00 H new ATOM 0 HG2 MET A 67 -23.453 -4.806 10.390 1.00 0.00 H new ATOM 0 HG3 MET A 67 -22.539 -6.055 9.567 1.00 0.00 H new ATOM 0 HE1 MET A 67 -20.581 -5.501 12.825 1.00 0.00 H new ATOM 0 HE2 MET A 67 -22.184 -5.991 12.227 1.00 0.00 H new ATOM 0 HE3 MET A 67 -20.716 -6.724 11.539 1.00 0.00 H new ATOM 1034 N GLY A 68 -23.234 -3.742 5.532 1.00 0.00 N ATOM 1035 CA GLY A 68 -23.343 -2.876 4.365 1.00 0.00 C ATOM 1036 C GLY A 68 -24.529 -3.258 3.492 1.00 0.00 C ATOM 1037 O GLY A 68 -25.204 -2.394 2.934 1.00 0.00 O ATOM 0 H GLY A 68 -22.448 -4.391 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -23.447 -1.840 4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -22.425 -2.936 3.780 1.00 0.00 H new ATOM 1041 N ALA A 69 -24.753 -4.560 3.350 1.00 0.00 N ATOM 1042 CA ALA A 69 -25.840 -5.046 2.512 1.00 0.00 C ATOM 1043 C ALA A 69 -27.184 -4.536 3.015 1.00 0.00 C ATOM 1044 O ALA A 69 -27.985 -4.020 2.237 1.00 0.00 O ATOM 1045 CB ALA A 69 -25.843 -6.581 2.517 1.00 0.00 C ATOM 0 H ALA A 69 -24.202 -5.291 3.800 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.686 -4.676 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -26.657 -6.945 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -24.893 -6.948 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -25.981 -6.941 3.536 1.00 0.00 H new ATOM 1051 N ALA A 70 -27.420 -4.679 4.316 1.00 0.00 N ATOM 1052 CA ALA A 70 -28.679 -4.233 4.900 1.00 0.00 C ATOM 1053 C ALA A 70 -28.853 -2.731 4.728 1.00 0.00 C ATOM 1054 O ALA A 70 -29.901 -2.271 4.281 1.00 0.00 O ATOM 1055 CB ALA A 70 -28.709 -4.580 6.389 1.00 0.00 C ATOM 0 H ALA A 70 -26.765 -5.095 4.978 1.00 0.00 H new ATOM 0 HA ALA A 70 -29.495 -4.741 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -29.652 -4.245 6.822 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -28.616 -5.659 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -27.881 -4.084 6.895 1.00 0.00 H new ATOM 1061 N MET A 71 -27.818 -1.977 5.071 1.00 0.00 N ATOM 1062 CA MET A 71 -27.872 -0.526 4.942 1.00 0.00 C ATOM 1063 C MET A 71 -28.086 -0.120 3.492 1.00 0.00 C ATOM 1064 O MET A 71 -28.877 0.776 3.203 1.00 0.00 O ATOM 1065 CB MET A 71 -26.574 0.097 5.462 1.00 0.00 C ATOM 1066 CG MET A 71 -26.634 1.620 5.316 1.00 0.00 C ATOM 1067 SD MET A 71 -25.178 2.355 6.098 1.00 0.00 S ATOM 1068 CE MET A 71 -23.943 1.737 4.927 1.00 0.00 C ATOM 0 H MET A 71 -26.938 -2.341 5.437 1.00 0.00 H new ATOM 0 HA MET A 71 -28.712 -0.163 5.535 1.00 0.00 H new ATOM 0 HB2 MET A 71 -26.425 -0.172 6.508 1.00 0.00 H new ATOM 0 HB3 MET A 71 -25.723 -0.297 4.907 1.00 0.00 H new ATOM 0 HG2 MET A 71 -26.672 1.894 4.262 1.00 0.00 H new ATOM 0 HG3 MET A 71 -27.543 2.005 5.779 1.00 0.00 H new ATOM 0 HE1 MET A 71 -23.066 2.384 4.948 1.00 0.00 H new ATOM 0 HE2 MET A 71 -23.654 0.723 5.205 1.00 0.00 H new ATOM 0 HE3 MET A 71 -24.365 1.732 3.922 1.00 0.00 H new ATOM 1078 N ASP A 72 -27.355 -0.762 2.583 1.00 0.00 N ATOM 1079 CA ASP A 72 -27.461 -0.430 1.170 1.00 0.00 C ATOM 1080 C ASP A 72 -28.874 -0.679 0.665 1.00 0.00 C ATOM 1081 O ASP A 72 -29.488 0.197 0.055 1.00 0.00 O ATOM 1082 CB ASP A 72 -26.475 -1.279 0.363 1.00 0.00 C ATOM 1083 CG ASP A 72 -26.503 -0.861 -1.102 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -27.296 0.004 -1.433 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -25.731 -1.411 -1.869 1.00 0.00 O ATOM 0 H ASP A 72 -26.691 -1.506 2.799 1.00 0.00 H new ATOM 0 HA ASP A 72 -27.224 0.627 1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -25.468 -1.161 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -26.733 -2.334 0.453 1.00 0.00 H new ATOM 1090 N ALA A 73 -29.382 -1.880 0.927 1.00 0.00 N ATOM 1091 CA ALA A 73 -30.727 -2.236 0.497 1.00 0.00 C ATOM 1092 C ALA A 73 -31.768 -1.368 1.189 1.00 0.00 C ATOM 1093 O ALA A 73 -32.724 -0.905 0.567 1.00 0.00 O ATOM 1094 CB ALA A 73 -31.002 -3.704 0.801 1.00 0.00 C ATOM 0 H ALA A 73 -28.887 -2.616 1.430 1.00 0.00 H new ATOM 0 HA ALA A 73 -30.794 -2.068 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -32.010 -3.960 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -30.281 -4.327 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -30.912 -3.877 1.873 1.00 0.00 H new ATOM 1100 N LEU A 74 -31.583 -1.172 2.486 1.00 0.00 N ATOM 1101 CA LEU A 74 -32.521 -0.378 3.263 1.00 0.00 C ATOM 1102 C LEU A 74 -32.564 1.061 2.764 1.00 0.00 C ATOM 1103 O LEU A 74 -33.635 1.654 2.651 1.00 0.00 O ATOM 1104 CB LEU A 74 -32.113 -0.388 4.739 1.00 0.00 C ATOM 1105 CG LEU A 74 -33.243 0.196 5.606 1.00 0.00 C ATOM 1106 CD1 LEU A 74 -34.337 -0.862 5.827 1.00 0.00 C ATOM 1107 CD2 LEU A 74 -32.682 0.633 6.959 1.00 0.00 C ATOM 0 H LEU A 74 -30.799 -1.549 3.018 1.00 0.00 H new ATOM 0 HA LEU A 74 -33.512 -0.818 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -31.891 -1.407 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -31.202 0.194 4.876 1.00 0.00 H new ATOM 0 HG LEU A 74 -33.672 1.057 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -35.132 -0.440 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -34.746 -1.169 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -33.909 -1.728 6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -33.485 1.046 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.245 -0.227 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -31.915 1.392 6.807 1.00 0.00 H new ATOM 1119 N GLU A 75 -31.392 1.624 2.503 1.00 0.00 N ATOM 1120 CA GLU A 75 -31.310 3.005 2.048 1.00 0.00 C ATOM 1121 C GLU A 75 -31.941 3.171 0.671 1.00 0.00 C ATOM 1122 O GLU A 75 -32.719 4.099 0.441 1.00 0.00 O ATOM 1123 CB GLU A 75 -29.844 3.444 1.991 1.00 0.00 C ATOM 1124 CG GLU A 75 -29.760 4.923 1.603 1.00 0.00 C ATOM 1125 CD GLU A 75 -28.310 5.384 1.607 1.00 0.00 C ATOM 1126 OE1 GLU A 75 -27.453 4.582 1.942 1.00 0.00 O ATOM 1127 OE2 GLU A 75 -28.074 6.532 1.269 1.00 0.00 O ATOM 0 H GLU A 75 -30.493 1.151 2.597 1.00 0.00 H new ATOM 0 HA GLU A 75 -31.858 3.627 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -29.369 3.285 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -29.301 2.837 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -30.194 5.073 0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -30.342 5.524 2.302 1.00 0.00 H new ATOM 1134 N LYS A 76 -31.596 2.277 -0.245 1.00 0.00 N ATOM 1135 CA LYS A 76 -32.126 2.342 -1.602 1.00 0.00 C ATOM 1136 C LYS A 76 -33.532 1.757 -1.670 1.00 0.00 C ATOM 1137 O LYS A 76 -34.252 1.950 -2.649 1.00 0.00 O ATOM 1138 CB LYS A 76 -31.199 1.587 -2.557 1.00 0.00 C ATOM 1139 CG LYS A 76 -31.440 0.078 -2.431 1.00 0.00 C ATOM 1140 CD LYS A 76 -30.240 -0.699 -2.978 1.00 0.00 C ATOM 1141 CE LYS A 76 -30.095 -0.428 -4.475 1.00 0.00 C ATOM 1142 NZ LYS A 76 -31.380 -0.750 -5.158 1.00 0.00 N ATOM 0 H LYS A 76 -30.955 1.502 -0.076 1.00 0.00 H new ATOM 0 HA LYS A 76 -32.179 3.389 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -31.379 1.909 -3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -30.159 1.819 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -31.606 -0.185 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -32.341 -0.200 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -29.332 -0.401 -2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -30.374 -1.766 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -29.831 0.616 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -29.288 -1.032 -4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -31.201 -0.931 -6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -31.802 -1.596 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -32.035 0.052 -5.061 1.00 0.00 H new ATOM 1156 N TYR A 77 -33.906 1.021 -0.632 1.00 0.00 N ATOM 1157 CA TYR A 77 -35.223 0.392 -0.593 1.00 0.00 C ATOM 1158 C TYR A 77 -35.625 0.082 0.843 1.00 0.00 C ATOM 1159 O TYR A 77 -35.326 -0.991 1.363 1.00 0.00 O ATOM 1160 CB TYR A 77 -35.201 -0.908 -1.407 1.00 0.00 C ATOM 1161 CG TYR A 77 -36.517 -1.634 -1.234 1.00 0.00 C ATOM 1162 CD1 TYR A 77 -37.665 -1.163 -1.880 1.00 0.00 C ATOM 1163 CD2 TYR A 77 -36.588 -2.775 -0.422 1.00 0.00 C ATOM 1164 CE1 TYR A 77 -38.884 -1.831 -1.716 1.00 0.00 C ATOM 1165 CE2 TYR A 77 -37.807 -3.442 -0.258 1.00 0.00 C ATOM 1166 CZ TYR A 77 -38.955 -2.971 -0.906 1.00 0.00 C ATOM 1167 OH TYR A 77 -40.158 -3.628 -0.744 1.00 0.00 O ATOM 0 H TYR A 77 -33.324 0.845 0.187 1.00 0.00 H new ATOM 0 HA TYR A 77 -35.949 1.082 -1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -35.031 -0.687 -2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -34.378 -1.542 -1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -37.611 -0.284 -2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -35.702 -3.139 0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -39.770 -1.467 -2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -37.862 -4.320 0.368 1.00 0.00 H new ATOM 0 HH TYR A 77 -40.033 -4.399 -0.152 1.00 0.00 H new ATOM 1177 N ASN A 78 -36.320 1.024 1.470 1.00 0.00 N ATOM 1178 CA ASN A 78 -36.783 0.842 2.843 1.00 0.00 C ATOM 1179 C ASN A 78 -38.234 0.373 2.857 1.00 0.00 C ATOM 1180 O ASN A 78 -39.036 0.784 2.018 1.00 0.00 O ATOM 1181 CB ASN A 78 -36.652 2.154 3.614 1.00 0.00 C ATOM 1182 CG ASN A 78 -37.406 3.265 2.895 1.00 0.00 C ATOM 1183 OD1 ASN A 78 -38.538 3.064 2.457 1.00 0.00 O ATOM 1184 ND2 ASN A 78 -36.841 4.431 2.743 1.00 0.00 N ATOM 0 H ASN A 78 -36.575 1.919 1.052 1.00 0.00 H new ATOM 0 HA ASN A 78 -36.166 0.082 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -37.045 2.032 4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -35.600 2.423 3.712 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -37.338 5.179 2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -35.902 4.594 3.107 1.00 0.00 H new ATOM 1191 N PHE A 79 -38.569 -0.475 3.824 1.00 0.00 N ATOM 1192 CA PHE A 79 -39.932 -0.978 3.946 1.00 0.00 C ATOM 1193 C PHE A 79 -40.190 -1.473 5.367 1.00 0.00 C ATOM 1194 O PHE A 79 -40.520 -2.637 5.581 1.00 0.00 O ATOM 1195 CB PHE A 79 -40.156 -2.124 2.952 1.00 0.00 C ATOM 1196 CG PHE A 79 -41.638 -2.389 2.811 1.00 0.00 C ATOM 1197 CD1 PHE A 79 -42.418 -1.567 1.990 1.00 0.00 C ATOM 1198 CD2 PHE A 79 -42.231 -3.454 3.501 1.00 0.00 C ATOM 1199 CE1 PHE A 79 -43.791 -1.809 1.859 1.00 0.00 C ATOM 1200 CE2 PHE A 79 -43.602 -3.696 3.369 1.00 0.00 C ATOM 1201 CZ PHE A 79 -44.384 -2.873 2.548 1.00 0.00 C ATOM 0 H PHE A 79 -37.921 -0.826 4.529 1.00 0.00 H new ATOM 0 HA PHE A 79 -40.625 -0.166 3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -39.728 -1.867 1.983 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -39.646 -3.024 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -41.961 -0.746 1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -41.629 -4.088 4.135 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -44.393 -1.174 1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -44.058 -4.518 3.900 1.00 0.00 H new ATOM 0 HZ PHE A 79 -45.443 -3.059 2.447 1.00 0.00 H new