USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=23 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 64 GLN :FLIP amide:sc= -1.6 F(o=-7.1!,f=-2.9) USER MOD Set 1.2: A 67 MET CE :methyl -160:sc= -1.27 (180deg=-0.542) USER MOD Single : A 8 SER OG : rot 180:sc= -0.138 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 11 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.3!) USER MOD Single : A 12 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -130:sc= -2.48 USER MOD Single : A 16 THR OG1 : rot -86:sc= -0.384 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -137:sc= -0.0576 (180deg=-0.519) USER MOD Single : A 31 THR OG1 : rot 34:sc= 0.402 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 34 THR OG1 : rot 28:sc= 0.0843 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 130:sc= -0.546 USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= -0.0231 (180deg=-0.353) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 170:sc= -0.451 USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= -1.68! (180deg=-2.02!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -116:sc= -0.323 (180deg=-3.43!) USER MOD Single : A 71 MET CE :methyl -131:sc= 0 (180deg=-1.71!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 6 -22.388 -1.027 16.280 1.00 0.00 N ATOM 58 CA PRO A 6 -22.391 -0.593 14.857 1.00 0.00 C ATOM 59 C PRO A 6 -23.760 -0.795 14.203 1.00 0.00 C ATOM 60 O PRO A 6 -24.781 -0.879 14.884 1.00 0.00 O ATOM 61 CB PRO A 6 -21.308 -1.473 14.222 1.00 0.00 C ATOM 62 CG PRO A 6 -21.315 -2.741 15.026 1.00 0.00 C ATOM 63 CD PRO A 6 -21.799 -2.372 16.439 1.00 0.00 C ATOM 0 HA PRO A 6 -22.192 0.472 14.734 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -21.525 -1.670 13.172 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -20.333 -0.987 14.260 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -21.974 -3.482 14.573 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -20.318 -3.181 15.062 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -22.534 -3.088 16.808 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.975 -2.364 17.153 1.00 0.00 H new ATOM 71 N ILE A 7 -23.771 -0.867 12.879 1.00 0.00 N ATOM 72 CA ILE A 7 -25.011 -1.054 12.133 1.00 0.00 C ATOM 73 C ILE A 7 -25.612 -2.406 12.478 1.00 0.00 C ATOM 74 O ILE A 7 -26.738 -2.716 12.084 1.00 0.00 O ATOM 75 CB ILE A 7 -24.723 -0.979 10.625 1.00 0.00 C ATOM 76 CG1 ILE A 7 -24.654 0.482 10.188 1.00 0.00 C ATOM 77 CG2 ILE A 7 -25.835 -1.676 9.822 1.00 0.00 C ATOM 78 CD1 ILE A 7 -23.521 1.192 10.934 1.00 0.00 C ATOM 0 H ILE A 7 -22.936 -0.799 12.298 1.00 0.00 H new ATOM 0 HA ILE A 7 -25.718 -0.269 12.400 1.00 0.00 H new ATOM 0 HB ILE A 7 -23.773 -1.479 10.435 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -24.488 0.542 9.112 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.603 0.978 10.392 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -25.611 -1.611 8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -25.895 -2.724 10.117 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -26.789 -1.188 10.022 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -23.475 2.235 10.619 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -23.706 1.145 12.007 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -22.574 0.703 10.708 1.00 0.00 H new ATOM 90 N SER A 8 -24.855 -3.219 13.185 1.00 0.00 N ATOM 91 CA SER A 8 -25.336 -4.539 13.536 1.00 0.00 C ATOM 92 C SER A 8 -26.659 -4.413 14.269 1.00 0.00 C ATOM 93 O SER A 8 -27.497 -5.312 14.210 1.00 0.00 O ATOM 94 CB SER A 8 -24.318 -5.244 14.432 1.00 0.00 C ATOM 95 OG SER A 8 -24.151 -4.497 15.632 1.00 0.00 O ATOM 0 H SER A 8 -23.919 -2.995 13.523 1.00 0.00 H new ATOM 0 HA SER A 8 -25.475 -5.125 12.628 1.00 0.00 H new ATOM 0 HB2 SER A 8 -24.657 -6.254 14.663 1.00 0.00 H new ATOM 0 HB3 SER A 8 -23.364 -5.339 13.913 1.00 0.00 H new ATOM 0 HG SER A 8 -23.500 -4.947 16.210 1.00 0.00 H new ATOM 101 N GLN A 9 -26.851 -3.281 14.941 1.00 0.00 N ATOM 102 CA GLN A 9 -28.100 -3.051 15.662 1.00 0.00 C ATOM 103 C GLN A 9 -29.286 -3.012 14.703 1.00 0.00 C ATOM 104 O GLN A 9 -30.280 -3.710 14.894 1.00 0.00 O ATOM 105 CB GLN A 9 -28.030 -1.716 16.393 1.00 0.00 C ATOM 106 CG GLN A 9 -29.340 -1.482 17.151 1.00 0.00 C ATOM 107 CD GLN A 9 -29.216 -0.245 18.038 1.00 0.00 C ATOM 108 OE1 GLN A 9 -28.426 0.650 17.746 1.00 0.00 O ATOM 109 NE2 GLN A 9 -29.962 -0.137 19.105 1.00 0.00 N ATOM 0 H GLN A 9 -26.172 -2.522 15.002 1.00 0.00 H new ATOM 0 HA GLN A 9 -28.236 -3.870 16.369 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -27.190 -1.713 17.087 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -27.859 -0.908 15.682 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -30.160 -1.353 16.445 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -29.578 -2.354 17.760 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -30.617 -0.880 19.346 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -29.889 0.691 19.697 1.00 0.00 H new ATOM 118 N LEU A 10 -29.166 -2.183 13.670 1.00 0.00 N ATOM 119 CA LEU A 10 -30.225 -2.049 12.680 1.00 0.00 C ATOM 120 C LEU A 10 -30.395 -3.353 11.925 1.00 0.00 C ATOM 121 O LEU A 10 -31.510 -3.745 11.580 1.00 0.00 O ATOM 122 CB LEU A 10 -29.904 -0.911 11.708 1.00 0.00 C ATOM 123 CG LEU A 10 -29.951 0.438 12.448 1.00 0.00 C ATOM 124 CD1 LEU A 10 -29.458 1.548 11.511 1.00 0.00 C ATOM 125 CD2 LEU A 10 -31.392 0.750 12.907 1.00 0.00 C ATOM 0 H LEU A 10 -28.349 -1.597 13.499 1.00 0.00 H new ATOM 0 HA LEU A 10 -31.158 -1.813 13.192 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -28.917 -1.062 11.271 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -30.620 -0.910 10.886 1.00 0.00 H new ATOM 0 HG LEU A 10 -29.308 0.383 13.327 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -29.490 2.505 12.032 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -28.434 1.336 11.203 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -30.099 1.593 10.631 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -31.409 1.707 13.429 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -32.048 0.799 12.038 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -31.738 -0.035 13.579 1.00 0.00 H new ATOM 137 N GLN A 11 -29.275 -4.014 11.663 1.00 0.00 N ATOM 138 CA GLN A 11 -29.304 -5.273 10.934 1.00 0.00 C ATOM 139 C GLN A 11 -30.195 -6.280 11.649 1.00 0.00 C ATOM 140 O GLN A 11 -31.037 -6.924 11.029 1.00 0.00 O ATOM 141 CB GLN A 11 -27.885 -5.844 10.837 1.00 0.00 C ATOM 142 CG GLN A 11 -27.905 -7.132 10.009 1.00 0.00 C ATOM 143 CD GLN A 11 -26.483 -7.640 9.801 1.00 0.00 C ATOM 144 OE1 GLN A 11 -25.528 -7.025 10.274 1.00 0.00 O ATOM 145 NE2 GLN A 11 -26.284 -8.732 9.112 1.00 0.00 N ATOM 0 H GLN A 11 -28.344 -3.703 11.941 1.00 0.00 H new ATOM 0 HA GLN A 11 -29.701 -5.088 9.936 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -27.219 -5.114 10.377 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -27.495 -6.047 11.834 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -28.501 -7.891 10.516 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -28.379 -6.947 9.045 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -27.077 -9.240 8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -25.335 -9.077 8.965 1.00 0.00 H new ATOM 154 N GLN A 12 -30.015 -6.406 12.956 1.00 0.00 N ATOM 155 CA GLN A 12 -30.825 -7.348 13.726 1.00 0.00 C ATOM 156 C GLN A 12 -32.299 -6.967 13.658 1.00 0.00 C ATOM 157 O GLN A 12 -33.161 -7.821 13.443 1.00 0.00 O ATOM 158 CB GLN A 12 -30.367 -7.352 15.187 1.00 0.00 C ATOM 159 CG GLN A 12 -28.986 -8.001 15.296 1.00 0.00 C ATOM 160 CD GLN A 12 -29.077 -9.491 14.982 1.00 0.00 C ATOM 161 OE1 GLN A 12 -28.557 -9.946 13.962 1.00 0.00 O ATOM 162 NE2 GLN A 12 -29.707 -10.284 15.804 1.00 0.00 N ATOM 0 H GLN A 12 -29.330 -5.881 13.500 1.00 0.00 H new ATOM 0 HA GLN A 12 -30.698 -8.343 13.299 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -30.330 -6.332 15.569 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -31.084 -7.897 15.801 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -28.294 -7.518 14.606 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -28.587 -7.857 16.300 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -30.137 -9.906 16.648 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -29.769 -11.282 15.603 1.00 0.00 H new ATOM 171 N CYS A 13 -32.579 -5.681 13.835 1.00 0.00 N ATOM 172 CA CYS A 13 -33.952 -5.192 13.786 1.00 0.00 C ATOM 173 C CYS A 13 -34.561 -5.411 12.405 1.00 0.00 C ATOM 174 O CYS A 13 -35.687 -5.883 12.281 1.00 0.00 O ATOM 175 CB CYS A 13 -33.996 -3.704 14.137 1.00 0.00 C ATOM 176 SG CYS A 13 -35.713 -3.134 14.122 1.00 0.00 S ATOM 0 H CYS A 13 -31.878 -4.962 14.013 1.00 0.00 H new ATOM 0 HA CYS A 13 -34.535 -5.753 14.516 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -33.555 -3.538 15.120 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -33.405 -3.133 13.421 1.00 0.00 H new ATOM 0 HG CYS A 13 -35.753 -1.870 14.422 1.00 0.00 H new ATOM 182 N CYS A 14 -33.809 -5.048 11.371 1.00 0.00 N ATOM 183 CA CYS A 14 -34.284 -5.191 9.999 1.00 0.00 C ATOM 184 C CYS A 14 -34.588 -6.648 9.664 1.00 0.00 C ATOM 185 O CYS A 14 -35.636 -6.955 9.096 1.00 0.00 O ATOM 186 CB CYS A 14 -33.231 -4.657 9.029 1.00 0.00 C ATOM 187 SG CYS A 14 -33.842 -4.810 7.331 1.00 0.00 S ATOM 0 H CYS A 14 -32.872 -4.654 11.456 1.00 0.00 H new ATOM 0 HA CYS A 14 -35.206 -4.617 9.902 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -33.009 -3.614 9.254 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -32.300 -5.213 9.144 1.00 0.00 H new ATOM 0 HG CYS A 14 -32.938 -5.386 6.595 1.00 0.00 H new ATOM 193 N LEU A 15 -33.662 -7.539 10.003 1.00 0.00 N ATOM 194 CA LEU A 15 -33.848 -8.960 9.718 1.00 0.00 C ATOM 195 C LEU A 15 -35.074 -9.498 10.460 1.00 0.00 C ATOM 196 O LEU A 15 -35.892 -10.208 9.882 1.00 0.00 O ATOM 197 CB LEU A 15 -32.585 -9.749 10.136 1.00 0.00 C ATOM 198 CG LEU A 15 -31.606 -9.897 8.960 1.00 0.00 C ATOM 199 CD1 LEU A 15 -31.087 -8.527 8.504 1.00 0.00 C ATOM 200 CD2 LEU A 15 -30.426 -10.754 9.415 1.00 0.00 C ATOM 0 H LEU A 15 -32.785 -7.308 10.470 1.00 0.00 H new ATOM 0 HA LEU A 15 -34.009 -9.085 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -32.090 -9.238 10.962 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -32.873 -10.736 10.499 1.00 0.00 H new ATOM 0 HG LEU A 15 -32.124 -10.365 8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -30.396 -8.658 7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -31.926 -7.908 8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -30.570 -8.040 9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -29.721 -10.869 8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -29.927 -10.270 10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -30.787 -11.735 9.724 1.00 0.00 H new ATOM 212 N THR A 16 -35.192 -9.155 11.738 1.00 0.00 N ATOM 213 CA THR A 16 -36.326 -9.614 12.532 1.00 0.00 C ATOM 214 C THR A 16 -37.586 -8.834 12.171 1.00 0.00 C ATOM 215 O THR A 16 -38.694 -9.363 12.230 1.00 0.00 O ATOM 216 CB THR A 16 -36.023 -9.432 14.021 1.00 0.00 C ATOM 217 OG1 THR A 16 -35.760 -8.060 14.282 1.00 0.00 O ATOM 218 CG2 THR A 16 -34.802 -10.272 14.395 1.00 0.00 C ATOM 0 H THR A 16 -34.526 -8.569 12.241 1.00 0.00 H new ATOM 0 HA THR A 16 -36.493 -10.670 12.318 1.00 0.00 H new ATOM 0 HB THR A 16 -36.879 -9.755 14.614 1.00 0.00 H new ATOM 0 HG1 THR A 16 -34.814 -7.870 14.110 1.00 0.00 H new ATOM 0 HG21 THR A 16 -34.584 -10.144 15.455 1.00 0.00 H new ATOM 0 HG22 THR A 16 -35.007 -11.323 14.191 1.00 0.00 H new ATOM 0 HG23 THR A 16 -33.944 -9.948 13.806 1.00 0.00 H new ATOM 226 N LEU A 17 -37.401 -7.568 11.801 1.00 0.00 N ATOM 227 CA LEU A 17 -38.518 -6.699 11.434 1.00 0.00 C ATOM 228 C LEU A 17 -39.721 -6.961 12.336 1.00 0.00 C ATOM 229 O LEU A 17 -40.745 -7.477 11.888 1.00 0.00 O ATOM 230 CB LEU A 17 -38.913 -6.930 9.972 1.00 0.00 C ATOM 231 CG LEU A 17 -39.921 -5.860 9.519 1.00 0.00 C ATOM 232 CD1 LEU A 17 -39.272 -4.461 9.532 1.00 0.00 C ATOM 233 CD2 LEU A 17 -40.400 -6.201 8.104 1.00 0.00 C ATOM 0 H LEU A 17 -36.486 -7.120 11.747 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.200 -5.664 11.561 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -38.027 -6.896 9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -39.349 -7.922 9.858 1.00 0.00 H new ATOM 0 HG LEU A 17 -40.767 -5.848 10.206 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -40.001 -3.719 9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -38.937 -4.225 10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -38.418 -4.450 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -41.116 -5.449 7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -39.547 -6.216 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -40.878 -7.181 8.108 1.00 0.00 H new ATOM 245 N ARG A 18 -39.586 -6.614 13.610 1.00 0.00 N ATOM 246 CA ARG A 18 -40.668 -6.826 14.564 1.00 0.00 C ATOM 247 C ARG A 18 -41.840 -5.905 14.252 1.00 0.00 C ATOM 248 O ARG A 18 -41.668 -4.697 14.096 1.00 0.00 O ATOM 249 CB ARG A 18 -40.164 -6.557 15.983 1.00 0.00 C ATOM 250 CG ARG A 18 -39.162 -7.642 16.380 1.00 0.00 C ATOM 251 CD ARG A 18 -38.527 -7.285 17.723 1.00 0.00 C ATOM 252 NE ARG A 18 -37.602 -8.333 18.137 1.00 0.00 N ATOM 253 CZ ARG A 18 -36.370 -8.397 17.641 1.00 0.00 C ATOM 254 NH1 ARG A 18 -35.559 -9.342 18.030 1.00 0.00 N ATOM 255 NH2 ARG A 18 -35.973 -7.514 16.766 1.00 0.00 N ATOM 0 H ARG A 18 -38.747 -6.189 14.004 1.00 0.00 H new ATOM 0 HA ARG A 18 -41.005 -7.860 14.488 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -39.693 -5.575 16.034 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -41.000 -6.546 16.682 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -39.664 -8.607 16.448 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -38.391 -7.737 15.615 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -37.999 -6.335 17.643 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -39.303 -7.156 18.478 1.00 0.00 H new ATOM 0 HE ARG A 18 -37.905 -9.029 18.819 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -35.870 -10.031 18.714 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -34.614 -9.391 17.650 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -36.608 -6.775 16.463 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -35.028 -7.563 16.385 1.00 0.00 H new ATOM 269 N THR A 19 -43.037 -6.484 14.164 1.00 0.00 N ATOM 270 CA THR A 19 -44.244 -5.710 13.872 1.00 0.00 C ATOM 271 C THR A 19 -45.417 -6.203 14.712 1.00 0.00 C ATOM 272 O THR A 19 -45.637 -7.406 14.845 1.00 0.00 O ATOM 273 CB THR A 19 -44.592 -5.819 12.386 1.00 0.00 C ATOM 274 OG1 THR A 19 -43.503 -5.337 11.614 1.00 0.00 O ATOM 275 CG2 THR A 19 -45.841 -4.987 12.087 1.00 0.00 C ATOM 0 H THR A 19 -43.197 -7.483 14.290 1.00 0.00 H new ATOM 0 HA THR A 19 -44.050 -4.667 14.121 1.00 0.00 H new ATOM 0 HB THR A 19 -44.787 -6.861 12.133 1.00 0.00 H new ATOM 0 HG1 THR A 19 -43.721 -5.407 10.661 1.00 0.00 H new ATOM 0 HG21 THR A 19 -46.086 -5.067 11.028 1.00 0.00 H new ATOM 0 HG22 THR A 19 -46.676 -5.358 12.682 1.00 0.00 H new ATOM 0 HG23 THR A 19 -45.652 -3.943 12.338 1.00 0.00 H new ATOM 283 N GLU A 20 -46.172 -5.268 15.274 1.00 0.00 N ATOM 284 CA GLU A 20 -47.322 -5.625 16.094 1.00 0.00 C ATOM 285 C GLU A 20 -48.395 -6.295 15.238 1.00 0.00 C ATOM 286 O GLU A 20 -48.745 -5.804 14.166 1.00 0.00 O ATOM 287 CB GLU A 20 -47.899 -4.373 16.758 1.00 0.00 C ATOM 288 CG GLU A 20 -49.020 -4.775 17.720 1.00 0.00 C ATOM 289 CD GLU A 20 -49.573 -3.540 18.419 1.00 0.00 C ATOM 290 OE1 GLU A 20 -49.098 -2.455 18.127 1.00 0.00 O ATOM 291 OE2 GLU A 20 -50.465 -3.695 19.238 1.00 0.00 O ATOM 0 H GLU A 20 -46.011 -4.265 15.178 1.00 0.00 H new ATOM 0 HA GLU A 20 -46.997 -6.324 16.865 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -47.116 -3.841 17.298 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -48.283 -3.691 16.000 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -49.816 -5.281 17.173 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -48.641 -5.482 18.458 1.00 0.00 H new ATOM 298 N GLY A 21 -48.917 -7.416 15.726 1.00 0.00 N ATOM 299 CA GLY A 21 -49.956 -8.156 15.008 1.00 0.00 C ATOM 300 C GLY A 21 -49.352 -9.212 14.089 1.00 0.00 C ATOM 301 O GLY A 21 -50.064 -10.063 13.556 1.00 0.00 O ATOM 0 H GLY A 21 -48.640 -7.834 16.614 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -50.625 -8.634 15.724 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -50.559 -7.463 14.421 1.00 0.00 H new ATOM 305 N LYS A 22 -48.031 -9.163 13.917 1.00 0.00 N ATOM 306 CA LYS A 22 -47.331 -10.129 13.068 1.00 0.00 C ATOM 307 C LYS A 22 -46.049 -10.591 13.741 1.00 0.00 C ATOM 308 O LYS A 22 -45.187 -9.783 14.085 1.00 0.00 O ATOM 309 CB LYS A 22 -46.993 -9.492 11.712 1.00 0.00 C ATOM 310 CG LYS A 22 -48.270 -9.091 10.954 1.00 0.00 C ATOM 311 CD LYS A 22 -49.006 -10.343 10.454 1.00 0.00 C ATOM 312 CE LYS A 22 -50.129 -9.933 9.503 1.00 0.00 C ATOM 313 NZ LYS A 22 -50.806 -11.159 8.995 1.00 0.00 N ATOM 0 H LYS A 22 -47.425 -8.467 14.352 1.00 0.00 H new ATOM 0 HA LYS A 22 -47.984 -10.988 12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -46.367 -8.613 11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -46.415 -10.194 11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -48.923 -8.513 11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -48.015 -8.449 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -48.309 -11.008 9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -49.415 -10.898 11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -50.845 -9.294 10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -49.726 -9.354 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -51.573 -10.889 8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -50.117 -11.752 8.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -51.202 -11.694 9.795 1.00 0.00 H new ATOM 327 N GLU A 23 -45.935 -11.902 13.923 1.00 0.00 N ATOM 328 CA GLU A 23 -44.760 -12.476 14.557 1.00 0.00 C ATOM 329 C GLU A 23 -43.547 -12.387 13.625 1.00 0.00 C ATOM 330 O GLU A 23 -43.698 -12.448 12.404 1.00 0.00 O ATOM 331 CB GLU A 23 -45.044 -13.937 14.920 1.00 0.00 C ATOM 332 CG GLU A 23 -45.418 -14.729 13.663 1.00 0.00 C ATOM 333 CD GLU A 23 -45.676 -16.186 14.036 1.00 0.00 C ATOM 334 OE1 GLU A 23 -45.473 -16.524 15.190 1.00 0.00 O ATOM 335 OE2 GLU A 23 -46.077 -16.940 13.164 1.00 0.00 O ATOM 0 H GLU A 23 -46.640 -12.583 13.641 1.00 0.00 H new ATOM 0 HA GLU A 23 -44.533 -11.914 15.463 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -44.166 -14.380 15.391 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -45.855 -13.988 15.646 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -46.306 -14.299 13.200 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -44.614 -14.667 12.929 1.00 0.00 H new ATOM 342 N PRO A 24 -42.353 -12.262 14.161 1.00 0.00 N ATOM 343 CA PRO A 24 -41.114 -12.184 13.329 1.00 0.00 C ATOM 344 C PRO A 24 -40.834 -13.499 12.597 1.00 0.00 C ATOM 345 O PRO A 24 -41.108 -14.581 13.114 1.00 0.00 O ATOM 346 CB PRO A 24 -40.011 -11.859 14.356 1.00 0.00 C ATOM 347 CG PRO A 24 -40.537 -12.356 15.664 1.00 0.00 C ATOM 348 CD PRO A 24 -42.049 -12.167 15.604 1.00 0.00 C ATOM 0 HA PRO A 24 -41.188 -11.439 12.537 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -39.073 -12.350 14.096 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -39.810 -10.788 14.393 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -40.280 -13.404 15.816 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -40.106 -11.799 16.496 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -42.572 -12.934 16.175 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -42.349 -11.203 16.015 1.00 0.00 H new ATOM 356 N ASP A 25 -40.285 -13.387 11.389 1.00 0.00 N ATOM 357 CA ASP A 25 -39.964 -14.563 10.581 1.00 0.00 C ATOM 358 C ASP A 25 -38.622 -15.137 10.999 1.00 0.00 C ATOM 359 O ASP A 25 -38.054 -14.730 12.013 1.00 0.00 O ATOM 360 CB ASP A 25 -39.929 -14.199 9.093 1.00 0.00 C ATOM 361 CG ASP A 25 -38.729 -13.308 8.792 1.00 0.00 C ATOM 362 OD1 ASP A 25 -38.053 -12.919 9.731 1.00 0.00 O ATOM 363 OD2 ASP A 25 -38.498 -13.036 7.625 1.00 0.00 O ATOM 0 H ASP A 25 -40.053 -12.497 10.949 1.00 0.00 H new ATOM 0 HA ASP A 25 -40.739 -15.312 10.743 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -39.876 -15.106 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -40.850 -13.686 8.816 1.00 0.00 H new ATOM 368 N ILE A 26 -38.113 -16.088 10.214 1.00 0.00 N ATOM 369 CA ILE A 26 -36.824 -16.712 10.520 1.00 0.00 C ATOM 370 C ILE A 26 -35.826 -16.430 9.389 1.00 0.00 C ATOM 371 O ILE A 26 -35.743 -17.197 8.429 1.00 0.00 O ATOM 372 CB ILE A 26 -37.011 -18.229 10.677 1.00 0.00 C ATOM 373 CG1 ILE A 26 -38.040 -18.521 11.803 1.00 0.00 C ATOM 374 CG2 ILE A 26 -35.659 -18.863 11.036 1.00 0.00 C ATOM 375 CD1 ILE A 26 -39.457 -18.647 11.218 1.00 0.00 C ATOM 0 H ILE A 26 -38.567 -16.440 9.371 1.00 0.00 H new ATOM 0 HA ILE A 26 -36.437 -16.296 11.450 1.00 0.00 H new ATOM 0 HB ILE A 26 -37.381 -18.651 9.743 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -37.770 -19.442 12.320 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -38.015 -17.721 12.543 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -35.781 -19.940 11.150 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -34.940 -18.661 10.242 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -35.295 -18.438 11.972 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -40.165 -18.852 12.021 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -39.730 -17.716 10.722 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -39.481 -19.463 10.496 1.00 0.00 H new ATOM 387 N PRO A 27 -35.066 -15.357 9.484 1.00 0.00 N ATOM 388 CA PRO A 27 -34.064 -14.994 8.445 1.00 0.00 C ATOM 389 C PRO A 27 -32.761 -15.770 8.612 1.00 0.00 C ATOM 390 O PRO A 27 -32.342 -16.073 9.729 1.00 0.00 O ATOM 391 CB PRO A 27 -33.870 -13.490 8.663 1.00 0.00 C ATOM 392 CG PRO A 27 -34.098 -13.281 10.130 1.00 0.00 C ATOM 393 CD PRO A 27 -35.078 -14.372 10.585 1.00 0.00 C ATOM 0 HA PRO A 27 -34.391 -15.238 7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -32.869 -13.174 8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -34.575 -12.910 8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -33.160 -13.349 10.681 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -34.508 -12.289 10.320 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -34.762 -14.823 11.526 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -36.077 -13.967 10.745 1.00 0.00 H new ATOM 401 N LEU A 28 -32.128 -16.091 7.488 1.00 0.00 N ATOM 402 CA LEU A 28 -30.867 -16.837 7.501 1.00 0.00 C ATOM 403 C LEU A 28 -29.907 -16.276 6.461 1.00 0.00 C ATOM 404 O LEU A 28 -30.327 -15.780 5.416 1.00 0.00 O ATOM 405 CB LEU A 28 -31.124 -18.321 7.202 1.00 0.00 C ATOM 406 CG LEU A 28 -31.955 -18.465 5.900 1.00 0.00 C ATOM 407 CD1 LEU A 28 -31.519 -19.716 5.130 1.00 0.00 C ATOM 408 CD2 LEU A 28 -33.445 -18.593 6.242 1.00 0.00 C ATOM 0 H LEU A 28 -32.464 -15.848 6.556 1.00 0.00 H new ATOM 0 HA LEU A 28 -30.423 -16.738 8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -30.176 -18.849 7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -31.655 -18.781 8.035 1.00 0.00 H new ATOM 0 HG LEU A 28 -31.789 -17.580 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -32.109 -19.806 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -30.463 -19.635 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -31.674 -20.598 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -34.022 -18.694 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -33.601 -19.473 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -33.772 -17.704 6.780 1.00 0.00 H new ATOM 420 N TYR A 29 -28.614 -16.364 6.744 1.00 0.00 N ATOM 421 CA TYR A 29 -27.602 -15.869 5.815 1.00 0.00 C ATOM 422 C TYR A 29 -27.083 -17.007 4.940 1.00 0.00 C ATOM 423 O TYR A 29 -26.729 -18.075 5.439 1.00 0.00 O ATOM 424 CB TYR A 29 -26.435 -15.265 6.596 1.00 0.00 C ATOM 425 CG TYR A 29 -25.891 -16.289 7.564 1.00 0.00 C ATOM 426 CD1 TYR A 29 -24.932 -17.217 7.138 1.00 0.00 C ATOM 427 CD2 TYR A 29 -26.340 -16.305 8.890 1.00 0.00 C ATOM 428 CE1 TYR A 29 -24.424 -18.161 8.038 1.00 0.00 C ATOM 429 CE2 TYR A 29 -25.831 -17.251 9.790 1.00 0.00 C ATOM 430 CZ TYR A 29 -24.873 -18.177 9.364 1.00 0.00 C ATOM 431 OH TYR A 29 -24.369 -19.106 10.251 1.00 0.00 O ATOM 0 H TYR A 29 -28.241 -16.770 7.602 1.00 0.00 H new ATOM 0 HA TYR A 29 -28.055 -15.107 5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -25.651 -14.946 5.909 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -26.766 -14.378 7.137 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -24.585 -17.204 6.115 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -27.078 -15.589 9.219 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -23.685 -18.877 7.709 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -26.178 -17.265 10.813 1.00 0.00 H new ATOM 0 HH TYR A 29 -24.785 -18.979 11.129 1.00 0.00 H new ATOM 441 N LYS A 30 -27.037 -16.771 3.630 1.00 0.00 N ATOM 442 CA LYS A 30 -26.550 -17.783 2.691 1.00 0.00 C ATOM 443 C LYS A 30 -25.768 -17.125 1.558 1.00 0.00 C ATOM 444 O LYS A 30 -26.026 -15.976 1.200 1.00 0.00 O ATOM 445 CB LYS A 30 -27.735 -18.569 2.118 1.00 0.00 C ATOM 446 CG LYS A 30 -28.664 -17.619 1.359 1.00 0.00 C ATOM 447 CD LYS A 30 -29.885 -18.391 0.854 1.00 0.00 C ATOM 448 CE LYS A 30 -30.753 -17.464 0.001 1.00 0.00 C ATOM 449 NZ LYS A 30 -31.207 -16.311 0.829 1.00 0.00 N ATOM 0 H LYS A 30 -27.328 -15.895 3.196 1.00 0.00 H new ATOM 0 HA LYS A 30 -25.886 -18.465 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -27.376 -19.352 1.451 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -28.281 -19.061 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -28.980 -16.805 2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -28.134 -17.168 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.567 -19.253 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -30.461 -18.774 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -30.187 -17.107 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -31.614 -18.009 -0.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -32.212 -16.121 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -31.083 -16.537 1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -30.644 -15.470 0.591 1.00 0.00 H new ATOM 463 N THR A 31 -24.810 -17.859 0.996 1.00 0.00 N ATOM 464 CA THR A 31 -24.004 -17.327 -0.096 1.00 0.00 C ATOM 465 C THR A 31 -24.840 -17.247 -1.363 1.00 0.00 C ATOM 466 O THR A 31 -25.409 -18.243 -1.807 1.00 0.00 O ATOM 467 CB THR A 31 -22.789 -18.226 -0.335 1.00 0.00 C ATOM 468 OG1 THR A 31 -23.230 -19.545 -0.630 1.00 0.00 O ATOM 469 CG2 THR A 31 -21.916 -18.246 0.921 1.00 0.00 C ATOM 0 H THR A 31 -24.576 -18.812 1.275 1.00 0.00 H new ATOM 0 HA THR A 31 -23.661 -16.328 0.171 1.00 0.00 H new ATOM 0 HB THR A 31 -22.208 -17.841 -1.173 1.00 0.00 H new ATOM 0 HG1 THR A 31 -24.069 -19.504 -1.135 1.00 0.00 H new ATOM 0 HG21 THR A 31 -21.050 -18.886 0.752 1.00 0.00 H new ATOM 0 HG22 THR A 31 -21.580 -17.234 1.147 1.00 0.00 H new ATOM 0 HG23 THR A 31 -22.495 -18.632 1.760 1.00 0.00 H new ATOM 477 N LEU A 32 -24.920 -16.052 -1.939 1.00 0.00 N ATOM 478 CA LEU A 32 -25.700 -15.852 -3.154 1.00 0.00 C ATOM 479 C LEU A 32 -24.841 -16.136 -4.382 1.00 0.00 C ATOM 480 O LEU A 32 -25.218 -16.921 -5.252 1.00 0.00 O ATOM 481 CB LEU A 32 -26.221 -14.398 -3.204 1.00 0.00 C ATOM 482 CG LEU A 32 -27.541 -14.328 -4.005 1.00 0.00 C ATOM 483 CD1 LEU A 32 -28.728 -14.642 -3.083 1.00 0.00 C ATOM 484 CD2 LEU A 32 -27.720 -12.927 -4.600 1.00 0.00 C ATOM 0 H LEU A 32 -24.458 -15.214 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 32 -26.546 -16.539 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -26.382 -14.027 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -25.473 -13.752 -3.665 1.00 0.00 H new ATOM 0 HG LEU A 32 -27.501 -15.061 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -29.655 -14.591 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -28.612 -15.643 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -28.761 -13.915 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -28.653 -12.887 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -27.749 -12.191 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -26.885 -12.705 -5.265 1.00 0.00 H new ATOM 496 N GLN A 33 -23.683 -15.487 -4.442 1.00 0.00 N ATOM 497 CA GLN A 33 -22.774 -15.672 -5.567 1.00 0.00 C ATOM 498 C GLN A 33 -21.368 -15.219 -5.199 1.00 0.00 C ATOM 499 O GLN A 33 -21.188 -14.322 -4.376 1.00 0.00 O ATOM 500 CB GLN A 33 -23.273 -14.881 -6.778 1.00 0.00 C ATOM 501 CG GLN A 33 -22.355 -15.140 -7.975 1.00 0.00 C ATOM 502 CD GLN A 33 -22.908 -14.454 -9.220 1.00 0.00 C ATOM 503 OE1 GLN A 33 -23.580 -13.427 -9.119 1.00 0.00 O ATOM 504 NE2 GLN A 33 -22.662 -14.963 -10.395 1.00 0.00 N ATOM 0 H GLN A 33 -23.354 -14.834 -3.731 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.745 -16.733 -5.817 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -24.295 -15.174 -7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -23.293 -13.816 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -21.353 -14.769 -7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -22.267 -16.212 -8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -22.105 -15.814 -10.476 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -23.026 -14.510 -11.233 1.00 0.00 H new ATOM 513 N THR A 34 -20.364 -15.840 -5.812 1.00 0.00 N ATOM 514 CA THR A 34 -18.972 -15.482 -5.540 1.00 0.00 C ATOM 515 C THR A 34 -18.398 -14.708 -6.718 1.00 0.00 C ATOM 516 O THR A 34 -18.572 -15.098 -7.872 1.00 0.00 O ATOM 517 CB THR A 34 -18.151 -16.753 -5.317 1.00 0.00 C ATOM 518 OG1 THR A 34 -18.127 -17.515 -6.516 1.00 0.00 O ATOM 519 CG2 THR A 34 -18.788 -17.582 -4.201 1.00 0.00 C ATOM 0 H THR A 34 -20.485 -16.588 -6.495 1.00 0.00 H new ATOM 0 HA THR A 34 -18.931 -14.859 -4.646 1.00 0.00 H new ATOM 0 HB THR A 34 -17.133 -16.484 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.221 -16.916 -7.286 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.203 -18.488 -4.042 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.810 -16.998 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.805 -17.852 -4.484 1.00 0.00 H new ATOM 527 N VAL A 35 -17.710 -13.606 -6.423 1.00 0.00 N ATOM 528 CA VAL A 35 -17.110 -12.780 -7.470 1.00 0.00 C ATOM 529 C VAL A 35 -15.699 -12.359 -7.061 1.00 0.00 C ATOM 530 O VAL A 35 -15.370 -12.335 -5.876 1.00 0.00 O ATOM 531 CB VAL A 35 -17.980 -11.542 -7.712 1.00 0.00 C ATOM 532 CG1 VAL A 35 -19.389 -11.979 -8.122 1.00 0.00 C ATOM 533 CG2 VAL A 35 -18.051 -10.704 -6.431 1.00 0.00 C ATOM 0 H VAL A 35 -17.555 -13.266 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.049 -13.359 -8.392 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.542 -10.942 -8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -20.008 -11.098 -8.294 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -19.335 -12.569 -9.037 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -19.829 -12.582 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.670 -9.824 -6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.486 -11.301 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.047 -10.390 -6.145 1.00 0.00 H new ATOM 543 N GLY A 36 -14.867 -12.036 -8.049 1.00 0.00 N ATOM 544 CA GLY A 36 -13.488 -11.624 -7.782 1.00 0.00 C ATOM 545 C GLY A 36 -12.986 -10.665 -8.858 1.00 0.00 C ATOM 546 O GLY A 36 -12.015 -10.961 -9.556 1.00 0.00 O ATOM 0 H GLY A 36 -15.120 -12.051 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.431 -11.143 -6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.843 -12.502 -7.743 1.00 0.00 H new ATOM 550 N PRO A 37 -13.628 -9.535 -9.016 1.00 0.00 N ATOM 551 CA PRO A 37 -13.236 -8.527 -10.047 1.00 0.00 C ATOM 552 C PRO A 37 -11.898 -7.866 -9.726 1.00 0.00 C ATOM 553 O PRO A 37 -11.196 -7.398 -10.623 1.00 0.00 O ATOM 554 CB PRO A 37 -14.394 -7.513 -10.017 1.00 0.00 C ATOM 555 CG PRO A 37 -14.962 -7.625 -8.638 1.00 0.00 C ATOM 556 CD PRO A 37 -14.786 -9.087 -8.225 1.00 0.00 C ATOM 0 HA PRO A 37 -13.088 -8.973 -11.031 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.040 -6.502 -10.218 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -15.143 -7.745 -10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -14.443 -6.960 -7.948 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.014 -7.340 -8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -14.601 -9.182 -7.155 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -15.676 -9.676 -8.448 1.00 0.00 H new ATOM 564 N SER A 38 -11.551 -7.836 -8.441 1.00 0.00 N ATOM 565 CA SER A 38 -10.295 -7.235 -7.990 1.00 0.00 C ATOM 566 C SER A 38 -9.296 -8.319 -7.599 1.00 0.00 C ATOM 567 O SER A 38 -9.564 -9.510 -7.753 1.00 0.00 O ATOM 568 CB SER A 38 -10.552 -6.326 -6.790 1.00 0.00 C ATOM 569 OG SER A 38 -10.848 -7.122 -5.652 1.00 0.00 O ATOM 0 H SER A 38 -12.124 -8.222 -7.690 1.00 0.00 H new ATOM 0 HA SER A 38 -9.880 -6.648 -8.809 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.677 -5.705 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.381 -5.651 -7.002 1.00 0.00 H new ATOM 0 HG SER A 38 -11.012 -6.541 -4.880 1.00 0.00 H new ATOM 575 N HIS A 39 -8.141 -7.898 -7.097 1.00 0.00 N ATOM 576 CA HIS A 39 -7.111 -8.845 -6.691 1.00 0.00 C ATOM 577 C HIS A 39 -7.650 -9.777 -5.609 1.00 0.00 C ATOM 578 O HIS A 39 -7.493 -10.995 -5.693 1.00 0.00 O ATOM 579 CB HIS A 39 -5.895 -8.086 -6.155 1.00 0.00 C ATOM 580 CG HIS A 39 -4.843 -9.068 -5.724 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.098 -9.798 -6.634 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.398 -9.451 -4.482 1.00 0.00 C ATOM 583 CE1 HIS A 39 -3.251 -10.576 -5.936 1.00 0.00 C ATOM 584 NE2 HIS A 39 -3.393 -10.403 -4.620 1.00 0.00 N ATOM 0 H HIS A 39 -7.896 -6.917 -6.962 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.817 -9.439 -7.556 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.497 -7.425 -6.925 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.187 -7.457 -5.314 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.771 -9.071 -3.542 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.543 -11.257 -6.385 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.875 -10.869 -3.875 1.00 0.00 H new ATOM 592 N ALA A 40 -8.293 -9.197 -4.599 1.00 0.00 N ATOM 593 CA ALA A 40 -8.863 -9.985 -3.507 1.00 0.00 C ATOM 594 C ALA A 40 -10.250 -10.497 -3.882 1.00 0.00 C ATOM 595 O ALA A 40 -11.009 -9.816 -4.571 1.00 0.00 O ATOM 596 CB ALA A 40 -8.961 -9.131 -2.243 1.00 0.00 C ATOM 0 H ALA A 40 -8.433 -8.190 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.210 -10.838 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.387 -9.725 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.966 -8.789 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.600 -8.269 -2.435 1.00 0.00 H new ATOM 602 N ARG A 41 -10.579 -11.699 -3.415 1.00 0.00 N ATOM 603 CA ARG A 41 -11.883 -12.287 -3.702 1.00 0.00 C ATOM 604 C ARG A 41 -12.942 -11.697 -2.776 1.00 0.00 C ATOM 605 O ARG A 41 -12.662 -11.379 -1.619 1.00 0.00 O ATOM 606 CB ARG A 41 -11.827 -13.812 -3.513 1.00 0.00 C ATOM 607 CG ARG A 41 -11.236 -14.470 -4.764 1.00 0.00 C ATOM 608 CD ARG A 41 -9.816 -13.952 -4.990 1.00 0.00 C ATOM 609 NE ARG A 41 -9.123 -14.793 -5.958 1.00 0.00 N ATOM 610 CZ ARG A 41 -7.908 -14.478 -6.394 1.00 0.00 C ATOM 611 NH1 ARG A 41 -7.304 -15.251 -7.252 1.00 0.00 N ATOM 612 NH2 ARG A 41 -7.321 -13.396 -5.962 1.00 0.00 N ATOM 0 H ARG A 41 -9.967 -12.279 -2.842 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.146 -12.062 -4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.220 -14.057 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.828 -14.201 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.225 -15.554 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.857 -14.249 -5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.849 -12.923 -5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.269 -13.944 -4.047 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.578 -15.637 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.764 -16.097 -7.588 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.371 -15.010 -7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.795 -12.792 -5.290 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.388 -13.154 -6.296 1.00 0.00 H new ATOM 626 N THR A 42 -14.161 -11.557 -3.292 1.00 0.00 N ATOM 627 CA THR A 42 -15.272 -11.010 -2.514 1.00 0.00 C ATOM 628 C THR A 42 -16.496 -11.909 -2.637 1.00 0.00 C ATOM 629 O THR A 42 -16.689 -12.584 -3.648 1.00 0.00 O ATOM 630 CB THR A 42 -15.606 -9.597 -3.000 1.00 0.00 C ATOM 631 OG1 THR A 42 -15.948 -9.640 -4.376 1.00 0.00 O ATOM 632 CG2 THR A 42 -14.396 -8.684 -2.799 1.00 0.00 C ATOM 0 H THR A 42 -14.406 -11.815 -4.248 1.00 0.00 H new ATOM 0 HA THR A 42 -14.977 -10.964 -1.466 1.00 0.00 H new ATOM 0 HB THR A 42 -16.448 -9.207 -2.429 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.164 -8.736 -4.688 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.637 -7.679 -3.146 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.137 -8.650 -1.741 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.550 -9.071 -3.367 1.00 0.00 H new ATOM 640 N TYR A 43 -17.318 -11.919 -1.591 1.00 0.00 N ATOM 641 CA TYR A 43 -18.529 -12.739 -1.561 1.00 0.00 C ATOM 642 C TYR A 43 -19.765 -11.855 -1.618 1.00 0.00 C ATOM 643 O TYR A 43 -19.765 -10.737 -1.098 1.00 0.00 O ATOM 644 CB TYR A 43 -18.558 -13.571 -0.277 1.00 0.00 C ATOM 645 CG TYR A 43 -17.414 -14.555 -0.292 1.00 0.00 C ATOM 646 CD1 TYR A 43 -16.169 -14.190 0.233 1.00 0.00 C ATOM 647 CD2 TYR A 43 -17.598 -15.834 -0.832 1.00 0.00 C ATOM 648 CE1 TYR A 43 -15.108 -15.103 0.219 1.00 0.00 C ATOM 649 CE2 TYR A 43 -16.537 -16.746 -0.845 1.00 0.00 C ATOM 650 CZ TYR A 43 -15.291 -16.380 -0.322 1.00 0.00 C ATOM 651 OH TYR A 43 -14.245 -17.280 -0.337 1.00 0.00 O ATOM 0 H TYR A 43 -17.167 -11.365 -0.748 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.525 -13.402 -2.426 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -18.481 -12.920 0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.507 -14.101 -0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -16.027 -13.204 0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.558 -16.116 -1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.148 -14.821 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.679 -17.733 -1.259 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.542 -18.120 -0.746 1.00 0.00 H new ATOM 661 N THR A 44 -20.823 -12.358 -2.255 1.00 0.00 N ATOM 662 CA THR A 44 -22.068 -11.603 -2.380 1.00 0.00 C ATOM 663 C THR A 44 -23.184 -12.314 -1.632 1.00 0.00 C ATOM 664 O THR A 44 -23.453 -13.493 -1.874 1.00 0.00 O ATOM 665 CB THR A 44 -22.449 -11.470 -3.855 1.00 0.00 C ATOM 666 OG1 THR A 44 -21.408 -10.800 -4.553 1.00 0.00 O ATOM 667 CG2 THR A 44 -23.744 -10.671 -3.983 1.00 0.00 C ATOM 0 H THR A 44 -20.842 -13.280 -2.690 1.00 0.00 H new ATOM 0 HA THR A 44 -21.923 -10.611 -1.952 1.00 0.00 H new ATOM 0 HB THR A 44 -22.595 -12.463 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.650 -10.716 -5.499 1.00 0.00 H new ATOM 0 HG21 THR A 44 -24.012 -10.579 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 44 -24.543 -11.185 -3.449 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.603 -9.678 -3.556 1.00 0.00 H new ATOM 675 N VAL A 45 -23.836 -11.589 -0.723 1.00 0.00 N ATOM 676 CA VAL A 45 -24.931 -12.155 0.063 1.00 0.00 C ATOM 677 C VAL A 45 -26.126 -11.213 0.049 1.00 0.00 C ATOM 678 O VAL A 45 -25.970 -9.996 -0.072 1.00 0.00 O ATOM 679 CB VAL A 45 -24.475 -12.371 1.509 1.00 0.00 C ATOM 680 CG1 VAL A 45 -23.283 -13.325 1.532 1.00 0.00 C ATOM 681 CG2 VAL A 45 -24.063 -11.033 2.126 1.00 0.00 C ATOM 0 H VAL A 45 -23.626 -10.613 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 45 -25.220 -13.110 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 45 -25.297 -12.798 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -22.959 -13.478 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -23.574 -14.281 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -22.464 -12.898 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -23.739 -11.191 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -23.244 -10.604 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -24.912 -10.350 2.114 1.00 0.00 H new ATOM 691 N ALA A 46 -27.321 -11.782 0.180 1.00 0.00 N ATOM 692 CA ALA A 46 -28.541 -10.983 0.188 1.00 0.00 C ATOM 693 C ALA A 46 -29.599 -11.629 1.070 1.00 0.00 C ATOM 694 O ALA A 46 -29.974 -12.784 0.865 1.00 0.00 O ATOM 695 CB ALA A 46 -29.078 -10.833 -1.237 1.00 0.00 C ATOM 0 H ALA A 46 -27.470 -12.786 0.281 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.305 -9.998 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.989 -10.235 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.330 -10.339 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -29.298 -11.818 -1.649 1.00 0.00 H new ATOM 701 N VAL A 47 -30.090 -10.868 2.044 1.00 0.00 N ATOM 702 CA VAL A 47 -31.121 -11.364 2.950 1.00 0.00 C ATOM 703 C VAL A 47 -32.499 -11.103 2.359 1.00 0.00 C ATOM 704 O VAL A 47 -32.696 -10.142 1.603 1.00 0.00 O ATOM 705 CB VAL A 47 -31.001 -10.679 4.314 1.00 0.00 C ATOM 706 CG1 VAL A 47 -29.811 -11.267 5.080 1.00 0.00 C ATOM 707 CG2 VAL A 47 -30.786 -9.175 4.114 1.00 0.00 C ATOM 0 H VAL A 47 -29.792 -9.910 2.226 1.00 0.00 H new ATOM 0 HA VAL A 47 -30.986 -12.437 3.082 1.00 0.00 H new ATOM 0 HB VAL A 47 -31.916 -10.843 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -29.726 -10.779 6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -29.963 -12.337 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -28.896 -11.104 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -30.701 -8.687 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -29.872 -9.011 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -31.633 -8.756 3.571 1.00 0.00 H new ATOM 717 N TYR A 48 -33.459 -11.958 2.709 1.00 0.00 N ATOM 718 CA TYR A 48 -34.825 -11.817 2.211 1.00 0.00 C ATOM 719 C TYR A 48 -35.810 -11.848 3.370 1.00 0.00 C ATOM 720 O TYR A 48 -35.535 -12.424 4.422 1.00 0.00 O ATOM 721 CB TYR A 48 -35.149 -12.962 1.236 1.00 0.00 C ATOM 722 CG TYR A 48 -35.312 -14.257 2.004 1.00 0.00 C ATOM 723 CD1 TYR A 48 -36.579 -14.622 2.472 1.00 0.00 C ATOM 724 CD2 TYR A 48 -34.209 -15.083 2.253 1.00 0.00 C ATOM 725 CE1 TYR A 48 -36.747 -15.810 3.190 1.00 0.00 C ATOM 726 CE2 TYR A 48 -34.378 -16.275 2.970 1.00 0.00 C ATOM 727 CZ TYR A 48 -35.648 -16.636 3.440 1.00 0.00 C ATOM 728 OH TYR A 48 -35.817 -17.807 4.146 1.00 0.00 O ATOM 0 H TYR A 48 -33.316 -12.752 3.333 1.00 0.00 H new ATOM 0 HA TYR A 48 -34.910 -10.863 1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -36.063 -12.737 0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -34.351 -13.062 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -37.429 -13.985 2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -33.230 -14.802 1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -37.726 -16.089 3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -33.530 -16.916 3.160 1.00 0.00 H new ATOM 0 HH TYR A 48 -35.401 -18.547 3.657 1.00 0.00 H new ATOM 738 N PHE A 49 -36.962 -11.226 3.162 1.00 0.00 N ATOM 739 CA PHE A 49 -38.002 -11.181 4.183 1.00 0.00 C ATOM 740 C PHE A 49 -39.378 -11.244 3.530 1.00 0.00 C ATOM 741 O PHE A 49 -39.732 -10.383 2.725 1.00 0.00 O ATOM 742 CB PHE A 49 -37.874 -9.888 4.986 1.00 0.00 C ATOM 743 CG PHE A 49 -38.921 -9.870 6.072 1.00 0.00 C ATOM 744 CD1 PHE A 49 -38.637 -10.419 7.328 1.00 0.00 C ATOM 745 CD2 PHE A 49 -40.181 -9.315 5.818 1.00 0.00 C ATOM 746 CE1 PHE A 49 -39.614 -10.414 8.330 1.00 0.00 C ATOM 747 CE2 PHE A 49 -41.156 -9.308 6.820 1.00 0.00 C ATOM 748 CZ PHE A 49 -40.874 -9.856 8.076 1.00 0.00 C ATOM 0 H PHE A 49 -37.201 -10.745 2.295 1.00 0.00 H new ATOM 0 HA PHE A 49 -37.885 -12.036 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -36.878 -9.815 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -37.998 -9.026 4.331 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -37.665 -10.846 7.524 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -40.400 -8.892 4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -39.397 -10.840 9.298 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -42.128 -8.879 6.624 1.00 0.00 H new ATOM 0 HZ PHE A 49 -41.627 -9.849 8.850 1.00 0.00 H new ATOM 758 N LYS A 50 -40.151 -12.265 3.886 1.00 0.00 N ATOM 759 CA LYS A 50 -41.488 -12.429 3.327 1.00 0.00 C ATOM 760 C LYS A 50 -41.418 -12.849 1.857 1.00 0.00 C ATOM 761 O LYS A 50 -42.374 -12.660 1.106 1.00 0.00 O ATOM 762 CB LYS A 50 -42.277 -11.110 3.453 1.00 0.00 C ATOM 763 CG LYS A 50 -43.794 -11.390 3.512 1.00 0.00 C ATOM 764 CD LYS A 50 -44.226 -11.700 4.952 1.00 0.00 C ATOM 765 CE LYS A 50 -45.745 -11.862 4.998 1.00 0.00 C ATOM 766 NZ LYS A 50 -46.139 -13.066 4.212 1.00 0.00 N ATOM 0 H LYS A 50 -39.878 -12.986 4.554 1.00 0.00 H new ATOM 0 HA LYS A 50 -41.998 -13.213 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -41.965 -10.577 4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -42.053 -10.463 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -44.344 -10.526 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -44.041 -12.230 2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -43.741 -12.611 5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -43.914 -10.896 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -46.080 -11.963 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -46.229 -10.974 4.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -47.107 -13.347 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -46.100 -12.846 3.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -45.485 -13.847 4.422 1.00 0.00 H new ATOM 780 N GLY A 51 -40.287 -13.422 1.452 1.00 0.00 N ATOM 781 CA GLY A 51 -40.122 -13.859 0.066 1.00 0.00 C ATOM 782 C GLY A 51 -39.666 -12.709 -0.828 1.00 0.00 C ATOM 783 O GLY A 51 -39.793 -12.774 -2.049 1.00 0.00 O ATOM 0 H GLY A 51 -39.481 -13.593 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -39.393 -14.668 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -41.065 -14.260 -0.306 1.00 0.00 H new ATOM 787 N GLU A 52 -39.135 -11.652 -0.212 1.00 0.00 N ATOM 788 CA GLU A 52 -38.662 -10.483 -0.962 1.00 0.00 C ATOM 789 C GLU A 52 -37.335 -9.990 -0.395 1.00 0.00 C ATOM 790 O GLU A 52 -37.111 -10.034 0.813 1.00 0.00 O ATOM 791 CB GLU A 52 -39.704 -9.362 -0.902 1.00 0.00 C ATOM 792 CG GLU A 52 -39.237 -8.185 -1.761 1.00 0.00 C ATOM 793 CD GLU A 52 -40.322 -7.114 -1.815 1.00 0.00 C ATOM 794 OE1 GLU A 52 -41.347 -7.305 -1.182 1.00 0.00 O ATOM 795 OE2 GLU A 52 -40.117 -6.124 -2.498 1.00 0.00 O ATOM 0 H GLU A 52 -39.021 -11.579 0.799 1.00 0.00 H new ATOM 0 HA GLU A 52 -38.513 -10.774 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -40.667 -9.727 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -39.848 -9.039 0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -38.320 -7.765 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -39.004 -8.530 -2.769 1.00 0.00 H new ATOM 802 N ARG A 53 -36.451 -9.530 -1.279 1.00 0.00 N ATOM 803 CA ARG A 53 -35.150 -9.047 -0.857 1.00 0.00 C ATOM 804 C ARG A 53 -35.319 -7.859 0.067 1.00 0.00 C ATOM 805 O ARG A 53 -36.011 -6.899 -0.268 1.00 0.00 O ATOM 806 CB ARG A 53 -34.321 -8.636 -2.074 1.00 0.00 C ATOM 807 CG ARG A 53 -33.986 -9.878 -2.901 1.00 0.00 C ATOM 808 CD ARG A 53 -33.172 -9.475 -4.131 1.00 0.00 C ATOM 809 NE ARG A 53 -33.988 -8.680 -5.041 1.00 0.00 N ATOM 810 CZ ARG A 53 -33.463 -8.146 -6.142 1.00 0.00 C ATOM 811 NH1 ARG A 53 -34.209 -7.433 -6.940 1.00 0.00 N ATOM 812 NH2 ARG A 53 -32.204 -8.340 -6.422 1.00 0.00 N ATOM 0 H ARG A 53 -36.616 -9.484 -2.284 1.00 0.00 H new ATOM 0 HA ARG A 53 -34.632 -9.847 -0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -34.875 -7.920 -2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -33.405 -8.140 -1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -33.422 -10.588 -2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -34.903 -10.380 -3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -32.296 -8.904 -3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -32.808 -10.366 -4.642 1.00 0.00 H new ATOM 0 HE ARG A 53 -34.975 -8.531 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -35.194 -7.285 -6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -33.807 -7.024 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -31.623 -8.900 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -31.800 -7.932 -7.265 1.00 0.00 H new ATOM 826 N ILE A 54 -34.687 -7.928 1.238 1.00 0.00 N ATOM 827 CA ILE A 54 -34.777 -6.847 2.212 1.00 0.00 C ATOM 828 C ILE A 54 -33.442 -6.119 2.336 1.00 0.00 C ATOM 829 O ILE A 54 -33.390 -4.980 2.798 1.00 0.00 O ATOM 830 CB ILE A 54 -35.193 -7.402 3.578 1.00 0.00 C ATOM 831 CG1 ILE A 54 -35.376 -6.246 4.563 1.00 0.00 C ATOM 832 CG2 ILE A 54 -34.112 -8.346 4.101 1.00 0.00 C ATOM 833 CD1 ILE A 54 -36.110 -6.744 5.809 1.00 0.00 C ATOM 0 H ILE A 54 -34.111 -8.717 1.532 1.00 0.00 H new ATOM 0 HA ILE A 54 -35.530 -6.138 1.867 1.00 0.00 H new ATOM 0 HB ILE A 54 -36.131 -7.948 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -34.406 -5.835 4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -35.941 -5.441 4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -34.411 -8.739 5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -33.980 -9.171 3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -33.173 -7.803 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -36.239 -5.919 6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -37.087 -7.134 5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -35.528 -7.534 6.283 1.00 0.00 H new ATOM 845 N GLY A 55 -32.364 -6.783 1.919 1.00 0.00 N ATOM 846 CA GLY A 55 -31.032 -6.179 1.995 1.00 0.00 C ATOM 847 C GLY A 55 -30.052 -6.925 1.095 1.00 0.00 C ATOM 848 O GLY A 55 -30.178 -8.132 0.888 1.00 0.00 O ATOM 0 H GLY A 55 -32.384 -7.726 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -31.084 -5.132 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.676 -6.199 3.025 1.00 0.00 H new ATOM 852 N CYS A 56 -29.073 -6.195 0.564 1.00 0.00 N ATOM 853 CA CYS A 56 -28.073 -6.794 -0.315 1.00 0.00 C ATOM 854 C CYS A 56 -26.747 -6.054 -0.202 1.00 0.00 C ATOM 855 O CYS A 56 -26.692 -4.832 -0.331 1.00 0.00 O ATOM 856 CB CYS A 56 -28.561 -6.750 -1.765 1.00 0.00 C ATOM 857 SG CYS A 56 -27.338 -7.542 -2.840 1.00 0.00 S ATOM 0 H CYS A 56 -28.952 -5.195 0.726 1.00 0.00 H new ATOM 0 HA CYS A 56 -27.924 -7.830 -0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -29.521 -7.259 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -28.719 -5.717 -2.075 1.00 0.00 H new ATOM 0 HG CYS A 56 -27.754 -7.506 -4.071 1.00 0.00 H new ATOM 863 N GLY A 57 -25.680 -6.809 0.039 1.00 0.00 N ATOM 864 CA GLY A 57 -24.350 -6.218 0.165 1.00 0.00 C ATOM 865 C GLY A 57 -23.271 -7.243 -0.160 1.00 0.00 C ATOM 866 O GLY A 57 -23.523 -8.448 -0.151 1.00 0.00 O ATOM 0 H GLY A 57 -25.708 -7.823 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -24.261 -5.364 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.208 -5.843 1.178 1.00 0.00 H new ATOM 870 N LYS A 58 -22.068 -6.759 -0.446 1.00 0.00 N ATOM 871 CA LYS A 58 -20.951 -7.640 -0.774 1.00 0.00 C ATOM 872 C LYS A 58 -19.632 -7.033 -0.313 1.00 0.00 C ATOM 873 O LYS A 58 -19.534 -5.823 -0.103 1.00 0.00 O ATOM 874 CB LYS A 58 -20.910 -7.883 -2.284 1.00 0.00 C ATOM 875 CG LYS A 58 -20.785 -6.541 -3.018 1.00 0.00 C ATOM 876 CD LYS A 58 -20.761 -6.765 -4.538 1.00 0.00 C ATOM 877 CE LYS A 58 -22.185 -6.973 -5.071 1.00 0.00 C ATOM 878 NZ LYS A 58 -22.147 -7.073 -6.557 1.00 0.00 N ATOM 0 H LYS A 58 -21.840 -5.765 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 58 -21.095 -8.589 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -20.067 -8.527 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -21.814 -8.401 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -21.621 -5.894 -2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.874 -6.031 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.303 -5.908 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.147 -7.634 -4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.616 -7.879 -4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.824 -6.143 -4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.111 -7.214 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.752 -6.197 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.551 -7.878 -6.836 1.00 0.00 H new ATOM 892 N GLY A 59 -18.620 -7.879 -0.164 1.00 0.00 N ATOM 893 CA GLY A 59 -17.309 -7.410 0.267 1.00 0.00 C ATOM 894 C GLY A 59 -16.362 -8.579 0.515 1.00 0.00 C ATOM 895 O GLY A 59 -16.687 -9.732 0.228 1.00 0.00 O ATOM 0 H GLY A 59 -18.680 -8.883 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.887 -6.751 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.412 -6.821 1.179 1.00 0.00 H new ATOM 899 N PRO A 60 -15.199 -8.302 1.044 1.00 0.00 N ATOM 900 CA PRO A 60 -14.171 -9.349 1.341 1.00 0.00 C ATOM 901 C PRO A 60 -14.712 -10.441 2.265 1.00 0.00 C ATOM 902 O PRO A 60 -14.245 -11.579 2.237 1.00 0.00 O ATOM 903 CB PRO A 60 -13.037 -8.560 2.023 1.00 0.00 C ATOM 904 CG PRO A 60 -13.217 -7.154 1.553 1.00 0.00 C ATOM 905 CD PRO A 60 -14.723 -6.959 1.417 1.00 0.00 C ATOM 0 HA PRO A 60 -13.849 -9.876 0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.106 -8.626 3.109 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.059 -8.949 1.741 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.792 -6.445 2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.713 -6.991 0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -15.171 -6.617 2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.967 -6.218 0.655 1.00 0.00 H new ATOM 913 N SER A 61 -15.687 -10.079 3.094 1.00 0.00 N ATOM 914 CA SER A 61 -16.273 -11.026 4.035 1.00 0.00 C ATOM 915 C SER A 61 -17.689 -10.603 4.407 1.00 0.00 C ATOM 916 O SER A 61 -18.045 -9.429 4.308 1.00 0.00 O ATOM 917 CB SER A 61 -15.416 -11.102 5.298 1.00 0.00 C ATOM 918 OG SER A 61 -15.975 -12.054 6.192 1.00 0.00 O ATOM 0 H SER A 61 -16.086 -9.141 3.133 1.00 0.00 H new ATOM 0 HA SER A 61 -16.310 -12.006 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.395 -11.384 5.041 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.366 -10.124 5.776 1.00 0.00 H new ATOM 0 HG SER A 61 -15.347 -12.223 6.925 1.00 0.00 H new ATOM 924 N LYS A 62 -18.494 -11.574 4.823 1.00 0.00 N ATOM 925 CA LYS A 62 -19.875 -11.303 5.198 1.00 0.00 C ATOM 926 C LYS A 62 -19.931 -10.305 6.346 1.00 0.00 C ATOM 927 O LYS A 62 -20.760 -9.394 6.349 1.00 0.00 O ATOM 928 CB LYS A 62 -20.561 -12.601 5.628 1.00 0.00 C ATOM 929 CG LYS A 62 -22.023 -12.314 5.981 1.00 0.00 C ATOM 930 CD LYS A 62 -22.775 -13.623 6.257 1.00 0.00 C ATOM 931 CE LYS A 62 -22.324 -14.220 7.596 1.00 0.00 C ATOM 932 NZ LYS A 62 -23.232 -15.339 7.965 1.00 0.00 N ATOM 0 H LYS A 62 -18.215 -12.551 4.909 1.00 0.00 H new ATOM 0 HA LYS A 62 -20.389 -10.882 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -20.507 -13.336 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -20.046 -13.030 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -22.072 -11.668 6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -22.503 -11.778 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -23.849 -13.437 6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -22.589 -14.334 5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -21.298 -14.579 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -22.337 -13.454 8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -23.015 -15.658 8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -24.219 -15.014 7.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.097 -16.129 7.302 1.00 0.00 H new ATOM 946 N LYS A 63 -19.055 -10.486 7.327 1.00 0.00 N ATOM 947 CA LYS A 63 -19.035 -9.593 8.472 1.00 0.00 C ATOM 948 C LYS A 63 -18.833 -8.151 8.020 1.00 0.00 C ATOM 949 O LYS A 63 -19.433 -7.237 8.567 1.00 0.00 O ATOM 950 CB LYS A 63 -17.917 -10.008 9.437 1.00 0.00 C ATOM 951 CG LYS A 63 -16.558 -9.877 8.745 1.00 0.00 C ATOM 952 CD LYS A 63 -15.450 -10.346 9.685 1.00 0.00 C ATOM 953 CE LYS A 63 -14.103 -10.215 8.976 1.00 0.00 C ATOM 954 NZ LYS A 63 -13.013 -10.659 9.889 1.00 0.00 N ATOM 0 H LYS A 63 -18.360 -11.232 7.351 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.993 -9.661 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.943 -9.382 10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -18.071 -11.036 9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.547 -10.470 7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.386 -8.841 8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.454 -9.750 10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.620 -11.381 9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.098 -10.818 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.939 -9.181 8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.097 -10.569 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.013 -10.066 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.167 -11.652 10.157 1.00 0.00 H new ATOM 968 N GLN A 64 -17.984 -7.950 7.023 1.00 0.00 N ATOM 969 CA GLN A 64 -17.738 -6.608 6.512 1.00 0.00 C ATOM 970 C GLN A 64 -18.922 -6.117 5.672 1.00 0.00 C ATOM 971 O GLN A 64 -19.344 -4.965 5.779 1.00 0.00 O ATOM 972 CB GLN A 64 -16.454 -6.592 5.680 1.00 0.00 C ATOM 973 CG GLN A 64 -16.089 -5.152 5.299 1.00 0.00 C ATOM 974 CD GLN A 64 -15.810 -4.324 6.552 1.00 0.00 C ATOM 975 OE1 GLN A 64 -16.459 -3.208 6.743 1.00 0.00 O flip ATOM 976 NE2 GLN A 64 -14.979 -4.705 7.377 1.00 0.00 N flip ATOM 0 H GLN A 64 -17.459 -8.689 6.556 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.621 -5.933 7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.639 -7.044 6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -16.588 -7.192 4.780 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -15.212 -5.151 4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.903 -4.702 4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.473 -5.578 7.226 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.797 -4.148 8.212 1.00 0.00 H new ATOM 985 N ALA A 65 -19.430 -7.007 4.821 1.00 0.00 N ATOM 986 CA ALA A 65 -20.549 -6.686 3.935 1.00 0.00 C ATOM 987 C ALA A 65 -21.858 -6.531 4.703 1.00 0.00 C ATOM 988 O ALA A 65 -22.827 -5.979 4.179 1.00 0.00 O ATOM 989 CB ALA A 65 -20.707 -7.784 2.880 1.00 0.00 C ATOM 0 H ALA A 65 -19.082 -7.961 4.726 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.325 -5.733 3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.542 -7.540 2.223 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.792 -7.858 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -20.900 -8.737 3.373 1.00 0.00 H new ATOM 995 N LYS A 66 -21.898 -7.054 5.924 1.00 0.00 N ATOM 996 CA LYS A 66 -23.119 -6.991 6.720 1.00 0.00 C ATOM 997 C LYS A 66 -23.590 -5.549 6.850 1.00 0.00 C ATOM 998 O LYS A 66 -24.784 -5.265 6.755 1.00 0.00 O ATOM 999 CB LYS A 66 -22.864 -7.582 8.124 1.00 0.00 C ATOM 1000 CG LYS A 66 -22.208 -6.538 9.048 1.00 0.00 C ATOM 1001 CD LYS A 66 -21.751 -7.197 10.353 1.00 0.00 C ATOM 1002 CE LYS A 66 -21.179 -6.126 11.283 1.00 0.00 C ATOM 1003 NZ LYS A 66 -19.987 -5.501 10.638 1.00 0.00 N ATOM 0 H LYS A 66 -21.112 -7.519 6.379 1.00 0.00 H new ATOM 0 HA LYS A 66 -23.892 -7.573 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -23.806 -7.918 8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.220 -8.458 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -21.356 -6.082 8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -22.916 -5.738 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -22.589 -7.702 10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.997 -7.957 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.934 -5.368 11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.900 -6.569 12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.139 -5.704 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.865 -5.891 9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.125 -4.472 10.577 1.00 0.00 H new ATOM 1017 N MET A 67 -22.642 -4.654 7.094 1.00 0.00 N ATOM 1018 CA MET A 67 -22.964 -3.248 7.265 1.00 0.00 C ATOM 1019 C MET A 67 -23.615 -2.696 6.008 1.00 0.00 C ATOM 1020 O MET A 67 -24.597 -1.960 6.081 1.00 0.00 O ATOM 1021 CB MET A 67 -21.689 -2.452 7.565 1.00 0.00 C ATOM 1022 CG MET A 67 -21.166 -2.820 8.957 1.00 0.00 C ATOM 1023 SD MET A 67 -19.829 -1.690 9.420 1.00 0.00 S ATOM 1024 CE MET A 67 -18.583 -2.297 8.254 1.00 0.00 C ATOM 0 H MET A 67 -21.650 -4.877 7.177 1.00 0.00 H new ATOM 0 HA MET A 67 -23.660 -3.153 8.099 1.00 0.00 H new ATOM 0 HB2 MET A 67 -20.930 -2.666 6.813 1.00 0.00 H new ATOM 0 HB3 MET A 67 -21.896 -1.383 7.515 1.00 0.00 H new ATOM 0 HG2 MET A 67 -21.973 -2.763 9.687 1.00 0.00 H new ATOM 0 HG3 MET A 67 -20.805 -3.848 8.961 1.00 0.00 H new ATOM 0 HE1 MET A 67 -17.591 -1.998 8.593 1.00 0.00 H new ATOM 0 HE2 MET A 67 -18.635 -3.384 8.199 1.00 0.00 H new ATOM 0 HE3 MET A 67 -18.772 -1.874 7.267 1.00 0.00 H new ATOM 1034 N GLY A 68 -23.063 -3.055 4.857 1.00 0.00 N ATOM 1035 CA GLY A 68 -23.608 -2.582 3.591 1.00 0.00 C ATOM 1036 C GLY A 68 -24.985 -3.170 3.325 1.00 0.00 C ATOM 1037 O GLY A 68 -25.914 -2.452 2.960 1.00 0.00 O ATOM 0 H GLY A 68 -22.249 -3.664 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -23.672 -1.494 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -22.933 -2.852 2.779 1.00 0.00 H new ATOM 1041 N ALA A 69 -25.114 -4.480 3.504 1.00 0.00 N ATOM 1042 CA ALA A 69 -26.391 -5.142 3.267 1.00 0.00 C ATOM 1043 C ALA A 69 -27.462 -4.624 4.217 1.00 0.00 C ATOM 1044 O ALA A 69 -28.575 -4.303 3.800 1.00 0.00 O ATOM 1045 CB ALA A 69 -26.233 -6.653 3.451 1.00 0.00 C ATOM 0 H ALA A 69 -24.361 -5.097 3.808 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.702 -4.924 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.190 -7.143 3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -25.495 -7.030 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -25.902 -6.863 4.468 1.00 0.00 H new ATOM 1051 N ALA A 70 -27.122 -4.547 5.498 1.00 0.00 N ATOM 1052 CA ALA A 70 -28.067 -4.069 6.495 1.00 0.00 C ATOM 1053 C ALA A 70 -28.452 -2.618 6.238 1.00 0.00 C ATOM 1054 O ALA A 70 -29.626 -2.271 6.213 1.00 0.00 O ATOM 1055 CB ALA A 70 -27.442 -4.186 7.880 1.00 0.00 C ATOM 0 H ALA A 70 -26.207 -4.807 5.867 1.00 0.00 H new ATOM 0 HA ALA A 70 -28.968 -4.680 6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -28.148 -3.828 8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -27.196 -5.229 8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -26.534 -3.585 7.921 1.00 0.00 H new ATOM 1061 N MET A 71 -27.448 -1.777 6.038 1.00 0.00 N ATOM 1062 CA MET A 71 -27.679 -0.367 5.784 1.00 0.00 C ATOM 1063 C MET A 71 -28.508 -0.186 4.519 1.00 0.00 C ATOM 1064 O MET A 71 -29.353 0.706 4.444 1.00 0.00 O ATOM 1065 CB MET A 71 -26.346 0.369 5.676 1.00 0.00 C ATOM 1066 CG MET A 71 -26.592 1.875 5.542 1.00 0.00 C ATOM 1067 SD MET A 71 -25.006 2.748 5.537 1.00 0.00 S ATOM 1068 CE MET A 71 -25.670 4.428 5.437 1.00 0.00 C ATOM 0 H MET A 71 -26.465 -2.049 6.047 1.00 0.00 H new ATOM 0 HA MET A 71 -28.239 0.058 6.617 1.00 0.00 H new ATOM 0 HB2 MET A 71 -25.737 0.168 6.557 1.00 0.00 H new ATOM 0 HB3 MET A 71 -25.788 0.005 4.813 1.00 0.00 H new ATOM 0 HG2 MET A 71 -27.137 2.085 4.622 1.00 0.00 H new ATOM 0 HG3 MET A 71 -27.211 2.228 6.367 1.00 0.00 H new ATOM 0 HE1 MET A 71 -25.158 4.975 4.645 1.00 0.00 H new ATOM 0 HE2 MET A 71 -26.737 4.385 5.217 1.00 0.00 H new ATOM 0 HE3 MET A 71 -25.516 4.937 6.388 1.00 0.00 H new ATOM 1078 N ASP A 72 -28.266 -1.039 3.528 1.00 0.00 N ATOM 1079 CA ASP A 72 -29.001 -0.960 2.278 1.00 0.00 C ATOM 1080 C ASP A 72 -30.487 -1.167 2.537 1.00 0.00 C ATOM 1081 O ASP A 72 -31.328 -0.479 1.962 1.00 0.00 O ATOM 1082 CB ASP A 72 -28.494 -2.029 1.310 1.00 0.00 C ATOM 1083 CG ASP A 72 -29.162 -1.859 -0.049 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -28.924 -0.842 -0.679 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -29.901 -2.746 -0.439 1.00 0.00 O ATOM 0 H ASP A 72 -27.572 -1.785 3.569 1.00 0.00 H new ATOM 0 HA ASP A 72 -28.848 0.025 1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -27.412 -1.952 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -28.706 -3.022 1.707 1.00 0.00 H new ATOM 1090 N ALA A 73 -30.808 -2.119 3.410 1.00 0.00 N ATOM 1091 CA ALA A 73 -32.202 -2.396 3.730 1.00 0.00 C ATOM 1092 C ALA A 73 -32.863 -1.157 4.321 1.00 0.00 C ATOM 1093 O ALA A 73 -33.967 -0.786 3.931 1.00 0.00 O ATOM 1094 CB ALA A 73 -32.290 -3.536 4.740 1.00 0.00 C ATOM 0 H ALA A 73 -30.131 -2.703 3.901 1.00 0.00 H new ATOM 0 HA ALA A 73 -32.717 -2.679 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -33.336 -3.736 4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -31.835 -4.432 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -31.762 -3.256 5.652 1.00 0.00 H new ATOM 1100 N LEU A 74 -32.174 -0.508 5.252 1.00 0.00 N ATOM 1101 CA LEU A 74 -32.706 0.701 5.871 1.00 0.00 C ATOM 1102 C LEU A 74 -32.907 1.790 4.823 1.00 0.00 C ATOM 1103 O LEU A 74 -33.930 2.473 4.816 1.00 0.00 O ATOM 1104 CB LEU A 74 -31.752 1.192 6.975 1.00 0.00 C ATOM 1105 CG LEU A 74 -32.054 0.467 8.299 1.00 0.00 C ATOM 1106 CD1 LEU A 74 -33.414 0.925 8.873 1.00 0.00 C ATOM 1107 CD2 LEU A 74 -32.079 -1.049 8.063 1.00 0.00 C ATOM 0 H LEU A 74 -31.256 -0.794 5.592 1.00 0.00 H new ATOM 0 HA LEU A 74 -33.673 0.469 6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -30.718 1.011 6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -31.861 2.268 7.108 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.272 0.714 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.609 0.401 9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.388 1.999 9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.205 0.698 8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.293 -1.560 9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.852 -1.291 7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -31.110 -1.375 7.686 1.00 0.00 H new ATOM 1119 N GLU A 75 -31.927 1.948 3.939 1.00 0.00 N ATOM 1120 CA GLU A 75 -32.024 2.965 2.897 1.00 0.00 C ATOM 1121 C GLU A 75 -33.181 2.655 1.951 1.00 0.00 C ATOM 1122 O GLU A 75 -33.916 3.553 1.539 1.00 0.00 O ATOM 1123 CB GLU A 75 -30.718 3.023 2.106 1.00 0.00 C ATOM 1124 CG GLU A 75 -29.620 3.617 2.987 1.00 0.00 C ATOM 1125 CD GLU A 75 -28.279 3.542 2.269 1.00 0.00 C ATOM 1126 OE1 GLU A 75 -28.204 2.853 1.265 1.00 0.00 O ATOM 1127 OE2 GLU A 75 -27.346 4.179 2.730 1.00 0.00 O ATOM 0 H GLU A 75 -31.070 1.395 3.922 1.00 0.00 H new ATOM 0 HA GLU A 75 -32.207 3.930 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -30.435 2.024 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -30.849 3.629 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -29.856 4.654 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -29.567 3.075 3.931 1.00 0.00 H new ATOM 1134 N LYS A 76 -33.337 1.379 1.615 1.00 0.00 N ATOM 1135 CA LYS A 76 -34.411 0.955 0.722 1.00 0.00 C ATOM 1136 C LYS A 76 -35.747 0.947 1.455 1.00 0.00 C ATOM 1137 O LYS A 76 -36.799 1.182 0.858 1.00 0.00 O ATOM 1138 CB LYS A 76 -34.106 -0.450 0.193 1.00 0.00 C ATOM 1139 CG LYS A 76 -32.848 -0.416 -0.701 1.00 0.00 C ATOM 1140 CD LYS A 76 -33.218 -0.054 -2.152 1.00 0.00 C ATOM 1141 CE LYS A 76 -33.677 -1.307 -2.913 1.00 0.00 C ATOM 1142 NZ LYS A 76 -33.964 -0.949 -4.330 1.00 0.00 N ATOM 0 H LYS A 76 -32.737 0.623 1.945 1.00 0.00 H new ATOM 0 HA LYS A 76 -34.476 1.657 -0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -33.952 -1.136 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -34.956 -0.826 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -32.138 0.312 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -32.354 -1.387 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -34.011 0.694 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -32.358 0.390 -2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -32.905 -2.075 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -34.568 -1.724 -2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -34.275 -1.797 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -34.715 -0.230 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -33.103 -0.570 -4.774 1.00 0.00 H new ATOM 1156 N TYR A 77 -35.699 0.668 2.754 1.00 0.00 N ATOM 1157 CA TYR A 77 -36.910 0.621 3.566 1.00 0.00 C ATOM 1158 C TYR A 77 -38.033 -0.088 2.808 1.00 0.00 C ATOM 1159 O TYR A 77 -39.007 0.539 2.389 1.00 0.00 O ATOM 1160 CB TYR A 77 -37.340 2.047 3.934 1.00 0.00 C ATOM 1161 CG TYR A 77 -38.207 2.020 5.172 1.00 0.00 C ATOM 1162 CD1 TYR A 77 -37.615 2.108 6.437 1.00 0.00 C ATOM 1163 CD2 TYR A 77 -39.597 1.900 5.054 1.00 0.00 C ATOM 1164 CE1 TYR A 77 -38.413 2.078 7.585 1.00 0.00 C ATOM 1165 CE2 TYR A 77 -40.395 1.871 6.203 1.00 0.00 C ATOM 1166 CZ TYR A 77 -39.802 1.959 7.469 1.00 0.00 C ATOM 1167 OH TYR A 77 -40.588 1.927 8.603 1.00 0.00 O ATOM 0 H TYR A 77 -34.838 0.472 3.265 1.00 0.00 H new ATOM 0 HA TYR A 77 -36.703 0.062 4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -36.461 2.668 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -37.888 2.496 3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -36.543 2.199 6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -40.053 1.830 4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -37.957 2.147 8.561 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -41.468 1.781 6.114 1.00 0.00 H new ATOM 0 HH TYR A 77 -41.530 1.842 8.346 1.00 0.00 H new ATOM 1177 N ASN A 78 -37.884 -1.398 2.629 1.00 0.00 N ATOM 1178 CA ASN A 78 -38.886 -2.182 1.913 1.00 0.00 C ATOM 1179 C ASN A 78 -40.077 -2.470 2.817 1.00 0.00 C ATOM 1180 O ASN A 78 -39.910 -2.811 3.989 1.00 0.00 O ATOM 1181 CB ASN A 78 -38.271 -3.499 1.438 1.00 0.00 C ATOM 1182 CG ASN A 78 -37.237 -3.225 0.356 1.00 0.00 C ATOM 1183 OD1 ASN A 78 -37.376 -2.268 -0.407 1.00 0.00 O ATOM 1184 ND2 ASN A 78 -36.196 -4.003 0.244 1.00 0.00 N ATOM 0 H ASN A 78 -37.086 -1.935 2.967 1.00 0.00 H new ATOM 0 HA ASN A 78 -39.228 -1.610 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -37.805 -4.016 2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -39.050 -4.156 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -35.497 -3.819 -0.476 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -36.081 -4.795 0.876 1.00 0.00 H new ATOM 1191 N PHE A 79 -41.283 -2.318 2.275 1.00 0.00 N ATOM 1192 CA PHE A 79 -42.487 -2.555 3.058 1.00 0.00 C ATOM 1193 C PHE A 79 -42.727 -4.058 3.249 1.00 0.00 C ATOM 1194 O PHE A 79 -42.434 -4.852 2.353 1.00 0.00 O ATOM 1195 CB PHE A 79 -43.692 -1.932 2.351 1.00 0.00 C ATOM 1196 CG PHE A 79 -43.508 -0.437 2.284 1.00 0.00 C ATOM 1197 CD1 PHE A 79 -42.819 0.133 1.206 1.00 0.00 C ATOM 1198 CD2 PHE A 79 -44.017 0.380 3.300 1.00 0.00 C ATOM 1199 CE1 PHE A 79 -42.641 1.520 1.145 1.00 0.00 C ATOM 1200 CE2 PHE A 79 -43.839 1.766 3.239 1.00 0.00 C ATOM 1201 CZ PHE A 79 -43.152 2.337 2.160 1.00 0.00 C ATOM 0 H PHE A 79 -41.449 -2.035 1.309 1.00 0.00 H new ATOM 0 HA PHE A 79 -42.356 -2.096 4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -43.793 -2.344 1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -44.609 -2.174 2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -42.425 -0.497 0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -44.547 -0.060 4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -42.109 1.960 0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -44.231 2.396 4.024 1.00 0.00 H new ATOM 0 HZ PHE A 79 -43.017 3.407 2.111 1.00 0.00 H new