USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 863 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 78 SER OG : rot 180:sc= -0.032 USER MOD Set 1.2: A 105 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.115) USER MOD Set 2.1: A 11 MET CE :methyl 141:sc= -0.151 (180deg=0) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= -0.0384 USER MOD Set 3.1: A 6 MET CE :methyl -125:sc= -0.162 (180deg=0) USER MOD Set 3.2: A 20 CYS SG : rot -150:sc= -0.0757 USER MOD Set 4.1: A 10 SER OG : rot 15:sc= -0.429! USER MOD Set 4.2: A 71 ASN : amide:sc= -0.41 X(o=-0.84,f=-0.54) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0705 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 150:sc= -0.0664 USER MOD Single : A 7 TYR OH : rot 156:sc= 1.83 USER MOD Single : A 8 ASN : amide:sc= -0.518 K(o=-0.52,f=-5.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.17) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -113:sc= 0.775 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 15:sc= -0.631 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 136:sc= -0.277 (180deg=-3.06!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0684 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0767 USER MOD Single : A 74 LYS NZ :NH3+ -167:sc=-0.00501 (180deg=-0.147) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 153:sc= 1.42 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.132 K(o=-0.13,f=0.39) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -121:sc= -0.443 (180deg=-2.72!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 80:sc= 0.82 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.266 X(o=0.27,f=-0.0074) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -160:sc= -0.035 (180deg=-0.346) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.950 0.182 -0.298 1.00 0.00 N ATOM 2 CA MET A 1 1.796 1.071 -0.357 1.00 0.00 C ATOM 3 C MET A 1 1.217 1.117 -1.767 1.00 0.00 C ATOM 4 O MET A 1 1.871 0.721 -2.732 1.00 0.00 O ATOM 5 CB MET A 1 2.188 2.481 0.092 1.00 0.00 C ATOM 6 CG MET A 1 2.284 2.633 1.601 1.00 0.00 C ATOM 7 SD MET A 1 3.248 4.075 2.094 1.00 0.00 S ATOM 8 CE MET A 1 4.709 3.291 2.769 1.00 0.00 C ATOM 0 H1 MET A 1 2.710 -0.661 0.262 1.00 0.00 H new ATOM 0 H2 MET A 1 3.216 -0.106 -1.261 1.00 0.00 H new ATOM 0 H3 MET A 1 3.748 0.678 0.148 1.00 0.00 H new ATOM 0 HA MET A 1 1.034 0.681 0.317 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.148 2.741 -0.353 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.456 3.192 -0.291 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.280 2.712 2.019 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.736 1.736 2.025 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.404 4.055 3.118 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.425 2.650 3.604 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.189 2.689 1.997 1.00 0.00 H new ATOM 18 N THR A 2 -0.016 1.601 -1.880 1.00 0.00 N ATOM 19 CA THR A 2 -0.685 1.697 -3.172 1.00 0.00 C ATOM 20 C THR A 2 -0.393 3.033 -3.844 1.00 0.00 C ATOM 21 O THR A 2 -0.271 4.062 -3.177 1.00 0.00 O ATOM 22 CB THR A 2 -2.209 1.528 -3.029 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.501 0.424 -2.166 1.00 0.00 O ATOM 24 CG2 THR A 2 -2.858 1.302 -4.387 1.00 0.00 C ATOM 0 H THR A 2 -0.572 1.933 -1.092 1.00 0.00 H new ATOM 0 HA THR A 2 -0.294 0.890 -3.791 1.00 0.00 H new ATOM 0 HB THR A 2 -2.615 2.443 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.472 0.325 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.934 1.185 -4.261 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.659 2.158 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.446 0.401 -4.842 1.00 0.00 H new ATOM 32 N LEU A 3 -0.283 3.012 -5.168 1.00 0.00 N ATOM 33 CA LEU A 3 -0.006 4.224 -5.931 1.00 0.00 C ATOM 34 C LEU A 3 -1.251 4.694 -6.678 1.00 0.00 C ATOM 35 O LEU A 3 -1.664 4.081 -7.663 1.00 0.00 O ATOM 36 CB LEU A 3 1.133 3.978 -6.921 1.00 0.00 C ATOM 37 CG LEU A 3 2.545 3.972 -6.333 1.00 0.00 C ATOM 38 CD1 LEU A 3 3.558 3.534 -7.379 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.900 5.348 -5.787 1.00 0.00 C ATOM 0 H LEU A 3 -0.381 2.170 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 3 0.292 5.004 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.961 3.020 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.087 4.744 -7.695 1.00 0.00 H new ATOM 0 HG LEU A 3 2.572 3.258 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.556 3.536 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.314 2.529 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.530 4.223 -8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.908 5.326 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.855 6.082 -6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.192 5.623 -5.005 1.00 0.00 H new ATOM 51 N CYS A 4 -1.843 5.784 -6.203 1.00 0.00 N ATOM 52 CA CYS A 4 -3.040 6.337 -6.827 1.00 0.00 C ATOM 53 C CYS A 4 -2.718 7.628 -7.571 1.00 0.00 C ATOM 54 O CYS A 4 -1.679 8.245 -7.343 1.00 0.00 O ATOM 55 CB CYS A 4 -4.116 6.597 -5.771 1.00 0.00 C ATOM 56 SG CYS A 4 -4.951 5.104 -5.184 1.00 0.00 S ATOM 0 H CYS A 4 -1.514 6.302 -5.388 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.415 5.609 -7.546 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -3.660 7.104 -4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.860 7.277 -6.186 1.00 0.00 H new ATOM 0 HG CYS A 4 -5.324 5.272 -3.950 1.00 0.00 H new ATOM 62 N ALA A 5 -3.617 8.030 -8.464 1.00 0.00 N ATOM 63 CA ALA A 5 -3.429 9.248 -9.243 1.00 0.00 C ATOM 64 C ALA A 5 -4.626 10.182 -9.098 1.00 0.00 C ATOM 65 O ALA A 5 -5.735 9.743 -8.797 1.00 0.00 O ATOM 66 CB ALA A 5 -3.198 8.907 -10.707 1.00 0.00 C ATOM 0 H ALA A 5 -4.483 7.530 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.549 9.764 -8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.059 9.826 -11.277 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.308 8.285 -10.800 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.061 8.366 -11.095 1.00 0.00 H new ATOM 72 N MET A 6 -4.392 11.473 -9.312 1.00 0.00 N ATOM 73 CA MET A 6 -5.452 12.469 -9.206 1.00 0.00 C ATOM 74 C MET A 6 -5.781 13.061 -10.572 1.00 0.00 C ATOM 75 O MET A 6 -4.993 13.821 -11.136 1.00 0.00 O ATOM 76 CB MET A 6 -5.039 13.582 -8.240 1.00 0.00 C ATOM 77 CG MET A 6 -5.466 13.329 -6.804 1.00 0.00 C ATOM 78 SD MET A 6 -4.706 11.852 -6.102 1.00 0.00 S ATOM 79 CE MET A 6 -5.991 11.312 -4.978 1.00 0.00 C ATOM 0 H MET A 6 -3.479 11.853 -9.560 1.00 0.00 H new ATOM 0 HA MET A 6 -6.344 11.975 -8.821 1.00 0.00 H new ATOM 0 HB2 MET A 6 -3.956 13.697 -8.273 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.470 14.524 -8.578 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.203 14.193 -6.194 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.551 13.229 -6.764 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.578 11.211 -3.974 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.797 12.046 -4.967 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.382 10.349 -5.308 1.00 0.00 H new ATOM 89 N TYR A 7 -6.948 12.708 -11.099 1.00 0.00 N ATOM 90 CA TYR A 7 -7.380 13.202 -12.401 1.00 0.00 C ATOM 91 C TYR A 7 -8.427 14.301 -12.247 1.00 0.00 C ATOM 92 O TYR A 7 -9.579 14.033 -11.908 1.00 0.00 O ATOM 93 CB TYR A 7 -7.946 12.058 -13.243 1.00 0.00 C ATOM 94 CG TYR A 7 -7.585 12.148 -14.709 1.00 0.00 C ATOM 95 CD1 TYR A 7 -7.734 13.339 -15.409 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.095 11.043 -15.393 1.00 0.00 C ATOM 97 CE1 TYR A 7 -7.407 13.425 -16.748 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.764 11.120 -16.732 1.00 0.00 C ATOM 99 CZ TYR A 7 -6.922 12.314 -17.405 1.00 0.00 C ATOM 100 OH TYR A 7 -6.594 12.396 -18.739 1.00 0.00 O ATOM 0 H TYR A 7 -7.612 12.081 -10.644 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.511 13.621 -12.908 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.582 11.111 -12.845 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.032 12.048 -13.145 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.112 14.212 -14.897 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.971 10.107 -14.869 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.531 14.358 -17.278 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.384 10.251 -17.249 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.943 11.697 -18.959 1.00 0.00 H new ATOM 110 N ASN A 8 -8.017 15.540 -12.499 1.00 0.00 N ATOM 111 CA ASN A 8 -8.918 16.681 -12.389 1.00 0.00 C ATOM 112 C ASN A 8 -9.543 17.013 -13.741 1.00 0.00 C ATOM 113 O ASN A 8 -8.837 17.292 -14.710 1.00 0.00 O ATOM 114 CB ASN A 8 -8.168 17.900 -11.848 1.00 0.00 C ATOM 115 CG ASN A 8 -9.104 19.023 -11.447 1.00 0.00 C ATOM 116 OD1 ASN A 8 -10.081 18.806 -10.729 1.00 0.00 O ATOM 117 ND2 ASN A 8 -8.810 20.233 -11.910 1.00 0.00 N ATOM 0 H ASN A 8 -7.066 15.779 -12.781 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.716 16.416 -11.695 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.571 17.603 -10.986 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.474 18.262 -12.606 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.404 21.028 -11.673 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.990 20.367 -12.502 1.00 0.00 H new ATOM 124 N ILE A 9 -10.870 16.982 -13.797 1.00 0.00 N ATOM 125 CA ILE A 9 -11.589 17.282 -15.029 1.00 0.00 C ATOM 126 C ILE A 9 -12.691 18.308 -14.786 1.00 0.00 C ATOM 127 O ILE A 9 -13.530 18.136 -13.902 1.00 0.00 O ATOM 128 CB ILE A 9 -12.211 16.013 -15.640 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.937 16.351 -16.944 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.166 15.361 -14.651 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.564 15.150 -17.616 1.00 0.00 C ATOM 0 H ILE A 9 -11.469 16.752 -13.004 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.861 17.693 -15.728 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.411 15.307 -15.863 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.713 17.088 -16.738 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.232 16.816 -17.633 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.597 14.465 -15.098 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.623 15.089 -13.746 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.963 16.061 -14.400 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.061 15.465 -18.534 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.790 14.421 -17.854 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.294 14.698 -16.945 1.00 0.00 H new ATOM 143 N SER A 10 -12.683 19.375 -15.579 1.00 0.00 N ATOM 144 CA SER A 10 -13.681 20.430 -15.450 1.00 0.00 C ATOM 145 C SER A 10 -14.235 20.825 -16.815 1.00 0.00 C ATOM 146 O SER A 10 -13.679 21.686 -17.497 1.00 0.00 O ATOM 147 CB SER A 10 -13.074 21.654 -14.760 1.00 0.00 C ATOM 148 OG SER A 10 -11.658 21.627 -14.827 1.00 0.00 O ATOM 0 H SER A 10 -11.997 19.531 -16.317 1.00 0.00 H new ATOM 0 HA SER A 10 -14.501 20.047 -14.842 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.446 22.563 -15.232 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.392 21.683 -13.718 1.00 0.00 H new ATOM 0 HG SER A 10 -11.375 20.974 -15.500 1.00 0.00 H new ATOM 154 N MET A 11 -15.333 20.189 -17.208 1.00 0.00 N ATOM 155 CA MET A 11 -15.964 20.474 -18.492 1.00 0.00 C ATOM 156 C MET A 11 -16.211 21.970 -18.655 1.00 0.00 C ATOM 157 O MET A 11 -16.082 22.738 -17.703 1.00 0.00 O ATOM 158 CB MET A 11 -17.283 19.710 -18.617 1.00 0.00 C ATOM 159 CG MET A 11 -17.704 19.455 -20.055 1.00 0.00 C ATOM 160 SD MET A 11 -18.978 18.186 -20.192 1.00 0.00 S ATOM 161 CE MET A 11 -20.462 19.186 -20.101 1.00 0.00 C ATOM 0 H MET A 11 -15.805 19.473 -16.656 1.00 0.00 H new ATOM 0 HA MET A 11 -15.288 20.147 -19.282 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.191 18.755 -18.099 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.068 20.272 -18.111 1.00 0.00 H new ATOM 0 HG2 MET A 11 -18.073 20.383 -20.491 1.00 0.00 H new ATOM 0 HG3 MET A 11 -16.833 19.154 -20.636 1.00 0.00 H new ATOM 0 HE1 MET A 11 -21.206 18.796 -20.795 1.00 0.00 H new ATOM 0 HE2 MET A 11 -20.860 19.155 -19.087 1.00 0.00 H new ATOM 0 HE3 MET A 11 -20.223 20.216 -20.365 1.00 0.00 H new ATOM 171 N ALA A 12 -16.568 22.377 -19.869 1.00 0.00 N ATOM 172 CA ALA A 12 -16.835 23.781 -20.157 1.00 0.00 C ATOM 173 C ALA A 12 -17.830 24.365 -19.159 1.00 0.00 C ATOM 174 O ALA A 12 -19.020 24.055 -19.200 1.00 0.00 O ATOM 175 CB ALA A 12 -17.355 23.939 -21.578 1.00 0.00 C ATOM 0 H ALA A 12 -16.679 21.754 -20.669 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.899 24.331 -20.062 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.550 24.992 -21.779 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.610 23.567 -22.281 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.278 23.371 -21.693 1.00 0.00 H new ATOM 181 N GLY A 13 -17.333 25.214 -18.264 1.00 0.00 N ATOM 182 CA GLY A 13 -18.192 25.827 -17.268 1.00 0.00 C ATOM 183 C GLY A 13 -18.643 24.844 -16.206 1.00 0.00 C ATOM 184 O GLY A 13 -19.832 24.754 -15.899 1.00 0.00 O ATOM 0 H GLY A 13 -16.352 25.488 -18.211 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.661 26.652 -16.793 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.067 26.252 -17.760 1.00 0.00 H new ATOM 188 N SER A 14 -17.692 24.105 -15.644 1.00 0.00 N ATOM 189 CA SER A 14 -17.999 23.119 -14.614 1.00 0.00 C ATOM 190 C SER A 14 -16.864 23.025 -13.598 1.00 0.00 C ATOM 191 O SER A 14 -15.688 23.013 -13.962 1.00 0.00 O ATOM 192 CB SER A 14 -18.246 21.749 -15.247 1.00 0.00 C ATOM 193 OG SER A 14 -18.183 20.719 -14.275 1.00 0.00 O ATOM 0 H SER A 14 -16.703 24.170 -15.884 1.00 0.00 H new ATOM 0 HA SER A 14 -18.903 23.440 -14.096 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.223 21.739 -15.729 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.505 21.565 -16.025 1.00 0.00 H new ATOM 0 HG SER A 14 -18.346 19.853 -14.705 1.00 0.00 H new ATOM 199 N HIS A 15 -17.227 22.959 -12.321 1.00 0.00 N ATOM 200 CA HIS A 15 -16.240 22.865 -11.250 1.00 0.00 C ATOM 201 C HIS A 15 -15.254 21.732 -11.517 1.00 0.00 C ATOM 202 O HIS A 15 -15.542 20.786 -12.252 1.00 0.00 O ATOM 203 CB HIS A 15 -16.935 22.646 -9.906 1.00 0.00 C ATOM 204 CG HIS A 15 -18.020 21.615 -9.953 1.00 0.00 C ATOM 205 ND1 HIS A 15 -17.773 20.259 -9.915 1.00 0.00 N ATOM 206 CD2 HIS A 15 -19.365 21.749 -10.035 1.00 0.00 C ATOM 207 CE1 HIS A 15 -18.918 19.603 -9.973 1.00 0.00 C ATOM 208 NE2 HIS A 15 -19.900 20.484 -10.046 1.00 0.00 N ATOM 0 H HIS A 15 -18.196 22.969 -12.002 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.687 23.803 -11.216 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -16.192 22.346 -9.167 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.358 23.592 -9.567 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -19.915 22.677 -10.083 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.032 18.529 -9.963 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.894 20.261 -10.101 1.00 0.00 H new ATOM 216 N PRO A 16 -14.063 21.827 -10.909 1.00 0.00 N ATOM 217 CA PRO A 16 -13.011 20.819 -11.066 1.00 0.00 C ATOM 218 C PRO A 16 -13.363 19.501 -10.384 1.00 0.00 C ATOM 219 O PRO A 16 -13.311 19.390 -9.159 1.00 0.00 O ATOM 220 CB PRO A 16 -11.798 21.463 -10.390 1.00 0.00 C ATOM 221 CG PRO A 16 -12.377 22.418 -9.404 1.00 0.00 C ATOM 222 CD PRO A 16 -13.652 22.926 -10.020 1.00 0.00 C ATOM 0 HA PRO A 16 -12.847 20.562 -12.113 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.175 20.715 -9.899 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.167 21.977 -11.115 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.573 21.925 -8.452 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.687 23.238 -9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.408 23.135 -9.263 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.490 23.851 -10.573 1.00 0.00 H new ATOM 230 N THR A 17 -13.722 18.503 -11.186 1.00 0.00 N ATOM 231 CA THR A 17 -14.085 17.193 -10.659 1.00 0.00 C ATOM 232 C THR A 17 -12.844 16.369 -10.333 1.00 0.00 C ATOM 233 O THR A 17 -12.020 16.095 -11.206 1.00 0.00 O ATOM 234 CB THR A 17 -14.959 16.409 -11.656 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.187 17.109 -11.886 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.256 15.012 -11.133 1.00 0.00 C ATOM 0 H THR A 17 -13.769 18.577 -12.202 1.00 0.00 H new ATOM 0 HA THR A 17 -14.654 17.366 -9.746 1.00 0.00 H new ATOM 0 HB THR A 17 -14.411 16.319 -12.594 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.736 16.605 -12.522 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.875 14.477 -11.854 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.321 14.472 -10.986 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.786 15.084 -10.183 1.00 0.00 H new ATOM 244 N THR A 18 -12.716 15.976 -9.069 1.00 0.00 N ATOM 245 CA THR A 18 -11.575 15.184 -8.627 1.00 0.00 C ATOM 246 C THR A 18 -11.822 13.696 -8.846 1.00 0.00 C ATOM 247 O THR A 18 -12.605 13.075 -8.126 1.00 0.00 O ATOM 248 CB THR A 18 -11.265 15.428 -7.138 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.759 16.711 -6.739 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.768 15.353 -6.878 1.00 0.00 C ATOM 0 H THR A 18 -13.389 16.193 -8.334 1.00 0.00 H new ATOM 0 HA THR A 18 -10.720 15.500 -9.225 1.00 0.00 H new ATOM 0 HB THR A 18 -11.759 14.651 -6.555 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.560 16.858 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.573 15.528 -5.820 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.399 14.366 -7.156 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.257 16.111 -7.472 1.00 0.00 H new ATOM 258 N ILE A 19 -11.148 13.129 -9.841 1.00 0.00 N ATOM 259 CA ILE A 19 -11.294 11.712 -10.152 1.00 0.00 C ATOM 260 C ILE A 19 -10.020 10.943 -9.819 1.00 0.00 C ATOM 261 O ILE A 19 -9.035 11.005 -10.556 1.00 0.00 O ATOM 262 CB ILE A 19 -11.639 11.494 -11.637 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.746 12.457 -12.072 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.060 10.052 -11.877 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.140 12.306 -13.525 1.00 0.00 C ATOM 0 H ILE A 19 -10.496 13.629 -10.445 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.113 11.337 -9.539 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.750 11.697 -12.235 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.624 12.295 -11.447 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.415 13.481 -11.898 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.301 9.914 -12.931 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.244 9.384 -11.600 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.937 9.824 -11.272 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.929 13.019 -13.764 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.274 12.497 -14.159 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.502 11.293 -13.701 1.00 0.00 H new ATOM 277 N CYS A 20 -10.047 10.217 -8.707 1.00 0.00 N ATOM 278 CA CYS A 20 -8.894 9.433 -8.277 1.00 0.00 C ATOM 279 C CYS A 20 -8.836 8.101 -9.017 1.00 0.00 C ATOM 280 O CYS A 20 -9.761 7.293 -8.936 1.00 0.00 O ATOM 281 CB CYS A 20 -8.951 9.191 -6.768 1.00 0.00 C ATOM 282 SG CYS A 20 -9.266 10.680 -5.793 1.00 0.00 S ATOM 0 H CYS A 20 -10.854 10.155 -8.087 1.00 0.00 H new ATOM 0 HA CYS A 20 -7.992 9.998 -8.513 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.732 8.460 -6.557 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.007 8.751 -6.445 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.701 10.563 -4.628 1.00 0.00 H new ATOM 288 N VAL A 21 -7.743 7.879 -9.740 1.00 0.00 N ATOM 289 CA VAL A 21 -7.563 6.645 -10.496 1.00 0.00 C ATOM 290 C VAL A 21 -6.199 6.024 -10.218 1.00 0.00 C ATOM 291 O VAL A 21 -5.172 6.699 -10.289 1.00 0.00 O ATOM 292 CB VAL A 21 -7.706 6.888 -12.010 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.676 5.569 -12.768 1.00 0.00 C ATOM 294 CG2 VAL A 21 -8.985 7.655 -12.308 1.00 0.00 C ATOM 0 H VAL A 21 -6.968 8.538 -9.818 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.344 5.958 -10.171 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.862 7.491 -12.345 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.778 5.761 -13.836 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.730 5.062 -12.579 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.499 4.938 -12.432 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.070 7.818 -13.382 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.843 7.081 -11.959 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.960 8.617 -11.796 1.00 0.00 H new ATOM 304 N VAL A 22 -6.196 4.733 -9.901 1.00 0.00 N ATOM 305 CA VAL A 22 -4.957 4.019 -9.614 1.00 0.00 C ATOM 306 C VAL A 22 -3.969 4.147 -10.768 1.00 0.00 C ATOM 307 O VAL A 22 -4.365 4.308 -11.922 1.00 0.00 O ATOM 308 CB VAL A 22 -5.220 2.527 -9.340 1.00 0.00 C ATOM 309 CG1 VAL A 22 -5.705 1.829 -10.602 1.00 0.00 C ATOM 310 CG2 VAL A 22 -3.967 1.856 -8.799 1.00 0.00 C ATOM 0 H VAL A 22 -7.037 4.160 -9.836 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.529 4.474 -8.721 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.003 2.447 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.885 0.775 -10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.630 2.294 -10.942 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.947 1.917 -11.380 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.171 0.802 -8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.162 1.945 -9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.668 2.339 -7.869 1.00 0.00 H new ATOM 320 N MET A 23 -2.681 4.072 -10.448 1.00 0.00 N ATOM 321 CA MET A 23 -1.636 4.178 -11.459 1.00 0.00 C ATOM 322 C MET A 23 -1.813 3.113 -12.537 1.00 0.00 C ATOM 323 O MET A 23 -1.505 3.343 -13.706 1.00 0.00 O ATOM 324 CB MET A 23 -0.256 4.041 -10.813 1.00 0.00 C ATOM 325 CG MET A 23 0.888 4.425 -11.737 1.00 0.00 C ATOM 326 SD MET A 23 2.384 3.467 -11.425 1.00 0.00 S ATOM 327 CE MET A 23 2.614 2.672 -13.013 1.00 0.00 C ATOM 0 H MET A 23 -2.337 3.938 -9.497 1.00 0.00 H new ATOM 0 HA MET A 23 -1.715 5.160 -11.926 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.218 4.667 -9.921 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.118 3.011 -10.486 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.578 4.281 -12.772 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.108 5.486 -11.615 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.503 2.042 -12.979 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.743 2.058 -13.242 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.736 3.431 -13.786 1.00 0.00 H new ATOM 337 N ASP A 24 -2.310 1.948 -12.136 1.00 0.00 N ATOM 338 CA ASP A 24 -2.529 0.849 -13.068 1.00 0.00 C ATOM 339 C ASP A 24 -3.695 1.152 -14.003 1.00 0.00 C ATOM 340 O ASP A 24 -3.932 0.430 -14.972 1.00 0.00 O ATOM 341 CB ASP A 24 -2.795 -0.450 -12.305 1.00 0.00 C ATOM 342 CG ASP A 24 -1.517 -1.150 -11.890 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.765 -0.578 -11.074 1.00 0.00 O ATOM 344 OD2 ASP A 24 -1.267 -2.271 -12.382 1.00 0.00 O ATOM 0 H ASP A 24 -2.569 1.741 -11.171 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.627 0.730 -13.669 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.390 -0.232 -11.418 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.386 -1.120 -12.929 1.00 0.00 H new ATOM 349 N ARG A 25 -4.422 2.225 -13.705 1.00 0.00 N ATOM 350 CA ARG A 25 -5.565 2.622 -14.518 1.00 0.00 C ATOM 351 C ARG A 25 -5.347 4.006 -15.123 1.00 0.00 C ATOM 352 O ARG A 25 -6.293 4.655 -15.571 1.00 0.00 O ATOM 353 CB ARG A 25 -6.843 2.618 -13.675 1.00 0.00 C ATOM 354 CG ARG A 25 -7.318 1.225 -13.298 1.00 0.00 C ATOM 355 CD ARG A 25 -8.519 1.280 -12.366 1.00 0.00 C ATOM 356 NE ARG A 25 -8.576 0.121 -11.478 1.00 0.00 N ATOM 357 CZ ARG A 25 -9.444 0.003 -10.479 1.00 0.00 C ATOM 358 NH1 ARG A 25 -10.322 0.967 -10.242 1.00 0.00 N ATOM 359 NH2 ARG A 25 -9.434 -1.082 -9.716 1.00 0.00 N ATOM 0 H ARG A 25 -4.239 2.834 -12.907 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.670 1.902 -15.329 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.670 3.193 -12.765 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.634 3.126 -14.227 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.581 0.672 -14.200 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.506 0.680 -12.816 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.474 2.192 -11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.434 1.330 -12.956 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.913 -0.639 -11.633 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.333 1.802 -10.827 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.987 0.874 -9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.760 -1.826 -9.896 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.100 -1.172 -8.949 1.00 0.00 H new ATOM 373 N PHE A 26 -4.095 4.451 -15.133 1.00 0.00 N ATOM 374 CA PHE A 26 -3.753 5.758 -15.681 1.00 0.00 C ATOM 375 C PHE A 26 -3.949 5.781 -17.194 1.00 0.00 C ATOM 376 O PHE A 26 -4.647 6.644 -17.728 1.00 0.00 O ATOM 377 CB PHE A 26 -2.305 6.115 -15.339 1.00 0.00 C ATOM 378 CG PHE A 26 -2.150 7.487 -14.748 1.00 0.00 C ATOM 379 CD1 PHE A 26 -2.872 8.558 -15.250 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.282 7.707 -13.691 1.00 0.00 C ATOM 381 CE1 PHE A 26 -2.732 9.822 -14.709 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.138 8.969 -13.145 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.863 10.028 -13.656 1.00 0.00 C ATOM 0 H PHE A 26 -3.301 3.926 -14.768 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.418 6.497 -15.234 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.914 5.379 -14.636 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.699 6.047 -16.243 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.553 8.403 -16.074 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.711 6.883 -13.289 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.302 10.648 -15.109 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.459 9.127 -12.320 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.750 11.015 -13.233 1.00 0.00 H new ATOM 393 N LEU A 27 -3.329 4.827 -17.880 1.00 0.00 N ATOM 394 CA LEU A 27 -3.435 4.737 -19.332 1.00 0.00 C ATOM 395 C LEU A 27 -4.894 4.655 -19.768 1.00 0.00 C ATOM 396 O LEU A 27 -5.342 5.427 -20.615 1.00 0.00 O ATOM 397 CB LEU A 27 -2.669 3.516 -19.844 1.00 0.00 C ATOM 398 CG LEU A 27 -2.100 3.624 -21.259 1.00 0.00 C ATOM 399 CD1 LEU A 27 -3.139 4.202 -22.208 1.00 0.00 C ATOM 400 CD2 LEU A 27 -0.839 4.475 -21.264 1.00 0.00 C ATOM 0 H LEU A 27 -2.748 4.105 -17.454 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.998 5.639 -19.760 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.846 3.314 -19.158 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.334 2.653 -19.806 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.839 2.623 -21.603 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.717 4.272 -23.211 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.015 3.553 -22.227 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.431 5.195 -21.867 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.448 4.541 -22.279 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.074 5.475 -20.900 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.090 4.020 -20.616 1.00 0.00 H new ATOM 412 N GLU A 28 -5.630 3.716 -19.182 1.00 0.00 N ATOM 413 CA GLU A 28 -7.039 3.536 -19.510 1.00 0.00 C ATOM 414 C GLU A 28 -7.830 4.811 -19.233 1.00 0.00 C ATOM 415 O GLU A 28 -8.601 5.271 -20.075 1.00 0.00 O ATOM 416 CB GLU A 28 -7.628 2.374 -18.706 1.00 0.00 C ATOM 417 CG GLU A 28 -8.912 1.816 -19.295 1.00 0.00 C ATOM 418 CD GLU A 28 -8.669 0.972 -20.531 1.00 0.00 C ATOM 419 OE1 GLU A 28 -8.314 -0.215 -20.378 1.00 0.00 O ATOM 420 OE2 GLU A 28 -8.833 1.499 -21.652 1.00 0.00 O ATOM 0 H GLU A 28 -5.274 3.069 -18.478 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.111 3.308 -20.573 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.889 1.575 -18.644 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.821 2.709 -17.687 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.421 1.213 -18.542 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.579 2.640 -19.548 1.00 0.00 H new ATOM 427 N SER A 29 -7.632 5.378 -18.048 1.00 0.00 N ATOM 428 CA SER A 29 -8.329 6.598 -17.657 1.00 0.00 C ATOM 429 C SER A 29 -8.138 7.691 -18.705 1.00 0.00 C ATOM 430 O SER A 29 -9.107 8.228 -19.242 1.00 0.00 O ATOM 431 CB SER A 29 -7.826 7.086 -16.298 1.00 0.00 C ATOM 432 OG SER A 29 -8.574 8.202 -15.847 1.00 0.00 O ATOM 0 H SER A 29 -6.994 5.012 -17.341 1.00 0.00 H new ATOM 0 HA SER A 29 -9.392 6.371 -17.582 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.897 6.278 -15.569 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.773 7.357 -16.372 1.00 0.00 H new ATOM 0 HG SER A 29 -8.001 8.997 -15.836 1.00 0.00 H new ATOM 438 N PHE A 30 -6.882 8.016 -18.990 1.00 0.00 N ATOM 439 CA PHE A 30 -6.562 9.046 -19.972 1.00 0.00 C ATOM 440 C PHE A 30 -7.093 8.666 -21.351 1.00 0.00 C ATOM 441 O PHE A 30 -7.635 9.504 -22.071 1.00 0.00 O ATOM 442 CB PHE A 30 -5.049 9.265 -20.038 1.00 0.00 C ATOM 443 CG PHE A 30 -4.658 10.708 -20.182 1.00 0.00 C ATOM 444 CD1 PHE A 30 -5.021 11.428 -21.309 1.00 0.00 C ATOM 445 CD2 PHE A 30 -3.928 11.344 -19.191 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.662 12.756 -21.444 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.566 12.671 -19.321 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.935 13.379 -20.449 1.00 0.00 C ATOM 0 H PHE A 30 -6.068 7.581 -18.555 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.043 9.973 -19.660 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.592 8.861 -19.135 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.645 8.702 -20.879 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.590 10.946 -22.090 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.639 10.796 -18.306 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.950 13.306 -22.328 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.995 13.154 -18.542 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.655 14.417 -20.552 1.00 0.00 H new ATOM 458 N SER A 31 -6.933 7.396 -21.711 1.00 0.00 N ATOM 459 CA SER A 31 -7.392 6.905 -23.005 1.00 0.00 C ATOM 460 C SER A 31 -8.868 7.228 -23.216 1.00 0.00 C ATOM 461 O SER A 31 -9.270 7.667 -24.293 1.00 0.00 O ATOM 462 CB SER A 31 -7.169 5.395 -23.109 1.00 0.00 C ATOM 463 OG SER A 31 -7.985 4.828 -24.119 1.00 0.00 O ATOM 0 H SER A 31 -6.489 6.689 -21.125 1.00 0.00 H new ATOM 0 HA SER A 31 -6.814 7.405 -23.782 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.120 5.193 -23.328 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.391 4.925 -22.151 1.00 0.00 H new ATOM 0 HG SER A 31 -7.823 3.863 -24.167 1.00 0.00 H new ATOM 469 N GLU A 32 -9.670 7.007 -22.179 1.00 0.00 N ATOM 470 CA GLU A 32 -11.102 7.273 -22.251 1.00 0.00 C ATOM 471 C GLU A 32 -11.389 8.760 -22.061 1.00 0.00 C ATOM 472 O GLU A 32 -12.331 9.301 -22.642 1.00 0.00 O ATOM 473 CB GLU A 32 -11.848 6.460 -21.191 1.00 0.00 C ATOM 474 CG GLU A 32 -11.872 4.967 -21.476 1.00 0.00 C ATOM 475 CD GLU A 32 -12.475 4.640 -22.828 1.00 0.00 C ATOM 476 OE1 GLU A 32 -13.221 5.486 -23.364 1.00 0.00 O ATOM 477 OE2 GLU A 32 -12.202 3.539 -23.349 1.00 0.00 O ATOM 0 H GLU A 32 -9.353 6.645 -21.280 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.452 6.976 -23.240 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.381 6.629 -20.220 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.873 6.825 -21.120 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.855 4.576 -21.432 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.442 4.461 -20.696 1.00 0.00 H new ATOM 484 N LEU A 33 -10.571 9.415 -21.244 1.00 0.00 N ATOM 485 CA LEU A 33 -10.736 10.839 -20.976 1.00 0.00 C ATOM 486 C LEU A 33 -10.624 11.652 -22.263 1.00 0.00 C ATOM 487 O LEU A 33 -11.443 12.532 -22.526 1.00 0.00 O ATOM 488 CB LEU A 33 -9.689 11.313 -19.967 1.00 0.00 C ATOM 489 CG LEU A 33 -10.069 12.534 -19.129 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.257 13.754 -20.018 1.00 0.00 C ATOM 491 CD2 LEU A 33 -11.331 12.258 -18.325 1.00 0.00 C ATOM 0 H LEU A 33 -9.787 8.982 -20.756 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.730 10.992 -20.557 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.466 10.488 -19.290 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.770 11.540 -20.507 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.256 12.739 -18.432 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.527 14.613 -19.404 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.328 13.964 -20.548 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.051 13.560 -20.739 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.586 13.138 -17.735 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.152 12.026 -19.004 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.161 11.412 -17.659 1.00 0.00 H new ATOM 503 N TYR A 34 -9.607 11.348 -23.061 1.00 0.00 N ATOM 504 CA TYR A 34 -9.387 12.050 -24.320 1.00 0.00 C ATOM 505 C TYR A 34 -10.594 11.906 -25.241 1.00 0.00 C ATOM 506 O TYR A 34 -10.796 12.712 -26.150 1.00 0.00 O ATOM 507 CB TYR A 34 -8.134 11.515 -25.015 1.00 0.00 C ATOM 508 CG TYR A 34 -7.942 12.052 -26.415 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.017 13.415 -26.673 1.00 0.00 C ATOM 510 CD2 TYR A 34 -7.686 11.197 -27.480 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.843 13.911 -27.951 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.509 11.683 -28.760 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.589 13.041 -28.991 1.00 0.00 C ATOM 514 OH TYR A 34 -7.415 13.529 -30.265 1.00 0.00 O ATOM 0 H TYR A 34 -8.922 10.620 -22.859 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.246 13.108 -24.097 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.260 11.768 -24.415 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.188 10.427 -25.056 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.215 14.099 -25.861 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.624 10.133 -27.303 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.905 14.973 -28.135 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.309 11.004 -29.576 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.264 14.497 -30.227 1.00 0.00 H new ATOM 524 N ASP A 35 -11.395 10.874 -25.000 1.00 0.00 N ATOM 525 CA ASP A 35 -12.584 10.623 -25.806 1.00 0.00 C ATOM 526 C ASP A 35 -13.783 11.392 -25.260 1.00 0.00 C ATOM 527 O ASP A 35 -14.362 12.231 -25.951 1.00 0.00 O ATOM 528 CB ASP A 35 -12.896 9.126 -25.842 1.00 0.00 C ATOM 529 CG ASP A 35 -12.418 8.466 -27.120 1.00 0.00 C ATOM 530 OD1 ASP A 35 -12.564 9.082 -28.196 1.00 0.00 O ATOM 531 OD2 ASP A 35 -11.900 7.332 -27.045 1.00 0.00 O ATOM 0 H ASP A 35 -11.242 10.197 -24.252 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.384 10.969 -26.820 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.426 8.639 -24.987 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.971 8.979 -25.741 1.00 0.00 H new ATOM 536 N ILE A 36 -14.150 11.100 -24.016 1.00 0.00 N ATOM 537 CA ILE A 36 -15.279 11.764 -23.378 1.00 0.00 C ATOM 538 C ILE A 36 -15.093 13.278 -23.367 1.00 0.00 C ATOM 539 O ILE A 36 -16.048 14.032 -23.553 1.00 0.00 O ATOM 540 CB ILE A 36 -15.478 11.272 -21.932 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.650 12.005 -21.277 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.204 11.472 -21.125 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.115 11.370 -19.986 1.00 0.00 C ATOM 0 H ILE A 36 -13.682 10.408 -23.431 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.164 11.514 -23.963 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.708 10.207 -21.955 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.358 13.037 -21.080 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.485 12.038 -21.977 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.360 11.120 -20.105 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.391 10.909 -21.583 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.947 12.531 -21.108 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.948 11.943 -19.578 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.438 10.347 -20.179 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.295 11.362 -19.268 1.00 0.00 H new ATOM 555 N ILE A 37 -13.857 13.714 -23.149 1.00 0.00 N ATOM 556 CA ILE A 37 -13.544 15.138 -23.117 1.00 0.00 C ATOM 557 C ILE A 37 -13.938 15.816 -24.425 1.00 0.00 C ATOM 558 O ILE A 37 -14.261 17.004 -24.447 1.00 0.00 O ATOM 559 CB ILE A 37 -12.046 15.380 -22.857 1.00 0.00 C ATOM 560 CG1 ILE A 37 -11.797 16.848 -22.508 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.225 14.972 -24.071 1.00 0.00 C ATOM 562 CD1 ILE A 37 -11.882 17.140 -21.026 1.00 0.00 C ATOM 0 H ILE A 37 -13.056 13.102 -22.992 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.120 15.570 -22.298 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.736 14.767 -22.010 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.811 17.137 -22.871 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.524 17.466 -23.034 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.168 15.149 -23.872 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.383 13.914 -24.278 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.535 15.561 -24.934 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.695 18.200 -20.853 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.876 16.883 -20.661 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.136 16.548 -20.495 1.00 0.00 H new ATOM 574 N ASP A 38 -13.909 15.054 -25.513 1.00 0.00 N ATOM 575 CA ASP A 38 -14.265 15.581 -26.825 1.00 0.00 C ATOM 576 C ASP A 38 -15.769 15.814 -26.927 1.00 0.00 C ATOM 577 O ASP A 38 -16.223 16.683 -27.670 1.00 0.00 O ATOM 578 CB ASP A 38 -13.810 14.620 -27.925 1.00 0.00 C ATOM 579 CG ASP A 38 -13.735 15.288 -29.283 1.00 0.00 C ATOM 580 OD1 ASP A 38 -14.192 16.444 -29.401 1.00 0.00 O ATOM 581 OD2 ASP A 38 -13.220 14.655 -30.229 1.00 0.00 O ATOM 0 H ASP A 38 -13.643 14.069 -25.512 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.757 16.537 -26.955 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.831 14.216 -27.668 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.500 13.778 -27.975 1.00 0.00 H new ATOM 586 N GLU A 39 -16.537 15.030 -26.176 1.00 0.00 N ATOM 587 CA GLU A 39 -17.990 15.151 -26.184 1.00 0.00 C ATOM 588 C GLU A 39 -18.467 16.063 -25.057 1.00 0.00 C ATOM 589 O GLU A 39 -17.718 16.361 -24.127 1.00 0.00 O ATOM 590 CB GLU A 39 -18.639 13.772 -26.048 1.00 0.00 C ATOM 591 CG GLU A 39 -20.010 13.678 -26.697 1.00 0.00 C ATOM 592 CD GLU A 39 -19.990 14.070 -28.162 1.00 0.00 C ATOM 593 OE1 GLU A 39 -20.144 15.274 -28.456 1.00 0.00 O ATOM 594 OE2 GLU A 39 -19.819 13.173 -29.014 1.00 0.00 O ATOM 0 H GLU A 39 -16.177 14.305 -25.555 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.287 15.593 -27.135 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.983 13.025 -26.495 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -18.729 13.525 -24.990 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -20.383 12.658 -26.603 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -20.706 14.323 -26.162 1.00 0.00 H new ATOM 601 N ASN A 40 -19.717 16.503 -25.149 1.00 0.00 N ATOM 602 CA ASN A 40 -20.294 17.382 -24.138 1.00 0.00 C ATOM 603 C ASN A 40 -21.389 16.665 -23.354 1.00 0.00 C ATOM 604 O ASN A 40 -22.460 17.222 -23.111 1.00 0.00 O ATOM 605 CB ASN A 40 -20.863 18.642 -24.793 1.00 0.00 C ATOM 606 CG ASN A 40 -20.813 19.846 -23.872 1.00 0.00 C ATOM 607 OD1 ASN A 40 -19.737 20.350 -23.551 1.00 0.00 O ATOM 608 ND2 ASN A 40 -21.980 20.312 -23.443 1.00 0.00 N ATOM 0 H ASN A 40 -20.350 16.266 -25.913 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.502 17.666 -23.445 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.303 18.860 -25.702 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -21.895 18.459 -25.091 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -22.009 21.120 -22.821 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -22.847 19.862 -23.735 1.00 0.00 H new ATOM 615 N ASP A 41 -21.112 15.426 -22.961 1.00 0.00 N ATOM 616 CA ASP A 41 -22.072 14.632 -22.202 1.00 0.00 C ATOM 617 C ASP A 41 -21.893 14.850 -20.703 1.00 0.00 C ATOM 618 O ASP A 41 -20.933 14.364 -20.104 1.00 0.00 O ATOM 619 CB ASP A 41 -21.917 13.148 -22.537 1.00 0.00 C ATOM 620 CG ASP A 41 -22.147 12.859 -24.008 1.00 0.00 C ATOM 621 OD1 ASP A 41 -22.591 13.776 -24.730 1.00 0.00 O ATOM 622 OD2 ASP A 41 -21.885 11.716 -24.436 1.00 0.00 O ATOM 0 H ASP A 41 -20.231 14.950 -23.155 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.075 14.956 -22.480 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -20.917 12.818 -22.257 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.622 12.568 -21.941 1.00 0.00 H new ATOM 627 N THR A 42 -22.823 15.584 -20.101 1.00 0.00 N ATOM 628 CA THR A 42 -22.767 15.868 -18.673 1.00 0.00 C ATOM 629 C THR A 42 -23.395 14.740 -17.863 1.00 0.00 C ATOM 630 O THR A 42 -23.017 14.501 -16.716 1.00 0.00 O ATOM 631 CB THR A 42 -23.484 17.189 -18.334 1.00 0.00 C ATOM 632 OG1 THR A 42 -23.225 18.162 -19.352 1.00 0.00 O ATOM 633 CG2 THR A 42 -23.024 17.724 -16.986 1.00 0.00 C ATOM 0 H THR A 42 -23.625 15.993 -20.581 1.00 0.00 H new ATOM 0 HA THR A 42 -21.713 15.957 -18.410 1.00 0.00 H new ATOM 0 HB THR A 42 -24.555 16.993 -18.283 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.686 18.998 -19.130 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.544 18.657 -16.768 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.249 16.994 -16.209 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.950 17.905 -17.014 1.00 0.00 H new ATOM 641 N ASP A 43 -24.356 14.049 -18.466 1.00 0.00 N ATOM 642 CA ASP A 43 -25.036 12.944 -17.801 1.00 0.00 C ATOM 643 C ASP A 43 -24.107 11.743 -17.655 1.00 0.00 C ATOM 644 O ASP A 43 -24.157 11.023 -16.657 1.00 0.00 O ATOM 645 CB ASP A 43 -26.289 12.543 -18.582 1.00 0.00 C ATOM 646 CG ASP A 43 -26.884 11.238 -18.091 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.200 11.146 -16.886 1.00 0.00 O ATOM 648 OD2 ASP A 43 -27.036 10.310 -18.912 1.00 0.00 O ATOM 0 H ASP A 43 -24.682 14.235 -19.415 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.329 13.277 -16.805 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -27.035 13.333 -18.498 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.041 12.451 -19.639 1.00 0.00 H new ATOM 653 N VAL A 44 -23.259 11.531 -18.657 1.00 0.00 N ATOM 654 CA VAL A 44 -22.318 10.418 -18.641 1.00 0.00 C ATOM 655 C VAL A 44 -21.116 10.727 -17.756 1.00 0.00 C ATOM 656 O VAL A 44 -20.454 9.821 -17.252 1.00 0.00 O ATOM 657 CB VAL A 44 -21.824 10.080 -20.060 1.00 0.00 C ATOM 658 CG1 VAL A 44 -20.872 8.894 -20.025 1.00 0.00 C ATOM 659 CG2 VAL A 44 -23.001 9.802 -20.982 1.00 0.00 C ATOM 0 H VAL A 44 -23.205 12.116 -19.491 1.00 0.00 H new ATOM 0 HA VAL A 44 -22.852 9.558 -18.236 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.281 10.940 -20.451 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.533 8.669 -21.036 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.013 9.136 -19.400 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -21.387 8.026 -19.614 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -22.633 9.565 -21.980 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -23.574 8.958 -20.597 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -23.641 10.683 -21.031 1.00 0.00 H new ATOM 669 N MET A 45 -20.840 12.014 -17.570 1.00 0.00 N ATOM 670 CA MET A 45 -19.718 12.443 -16.744 1.00 0.00 C ATOM 671 C MET A 45 -19.782 11.800 -15.363 1.00 0.00 C ATOM 672 O MET A 45 -18.811 11.201 -14.901 1.00 0.00 O ATOM 673 CB MET A 45 -19.710 13.967 -16.609 1.00 0.00 C ATOM 674 CG MET A 45 -18.799 14.661 -17.610 1.00 0.00 C ATOM 675 SD MET A 45 -18.089 16.186 -16.961 1.00 0.00 S ATOM 676 CE MET A 45 -16.725 15.542 -15.996 1.00 0.00 C ATOM 0 H MET A 45 -21.378 12.777 -17.980 1.00 0.00 H new ATOM 0 HA MET A 45 -18.797 12.123 -17.232 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.726 14.340 -16.735 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.396 14.233 -15.599 1.00 0.00 H new ATOM 0 HG2 MET A 45 -17.995 13.983 -17.895 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.363 14.884 -18.515 1.00 0.00 H new ATOM 0 HE1 MET A 45 -15.835 16.144 -16.177 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.979 15.580 -14.937 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.530 14.510 -16.286 1.00 0.00 H new ATOM 686 N MET A 46 -20.932 11.927 -14.708 1.00 0.00 N ATOM 687 CA MET A 46 -21.122 11.357 -13.380 1.00 0.00 C ATOM 688 C MET A 46 -20.782 9.870 -13.373 1.00 0.00 C ATOM 689 O MET A 46 -19.970 9.413 -12.569 1.00 0.00 O ATOM 690 CB MET A 46 -22.565 11.564 -12.914 1.00 0.00 C ATOM 691 CG MET A 46 -22.867 10.922 -11.570 1.00 0.00 C ATOM 692 SD MET A 46 -21.963 11.692 -10.213 1.00 0.00 S ATOM 693 CE MET A 46 -23.083 13.016 -9.767 1.00 0.00 C ATOM 0 H MET A 46 -21.746 12.420 -15.076 1.00 0.00 H new ATOM 0 HA MET A 46 -20.449 11.869 -12.693 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.768 12.633 -12.851 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.243 11.155 -13.663 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.937 10.988 -11.372 1.00 0.00 H new ATOM 0 HG3 MET A 46 -22.616 9.862 -11.613 1.00 0.00 H new ATOM 0 HE1 MET A 46 -22.662 13.585 -8.938 1.00 0.00 H new ATOM 0 HE2 MET A 46 -23.227 13.675 -10.623 1.00 0.00 H new ATOM 0 HE3 MET A 46 -24.043 12.595 -9.467 1.00 0.00 H new ATOM 703 N ASP A 47 -21.409 9.120 -14.273 1.00 0.00 N ATOM 704 CA ASP A 47 -21.172 7.685 -14.371 1.00 0.00 C ATOM 705 C ASP A 47 -19.698 7.394 -14.631 1.00 0.00 C ATOM 706 O ASP A 47 -19.154 6.404 -14.141 1.00 0.00 O ATOM 707 CB ASP A 47 -22.028 7.080 -15.485 1.00 0.00 C ATOM 708 CG ASP A 47 -21.531 5.716 -15.921 1.00 0.00 C ATOM 709 OD1 ASP A 47 -21.331 4.849 -15.045 1.00 0.00 O ATOM 710 OD2 ASP A 47 -21.342 5.515 -17.139 1.00 0.00 O ATOM 0 H ASP A 47 -22.085 9.482 -14.945 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.451 7.230 -13.421 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.059 6.995 -15.142 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -22.032 7.753 -16.342 1.00 0.00 H new ATOM 715 N PHE A 48 -19.056 8.262 -15.406 1.00 0.00 N ATOM 716 CA PHE A 48 -17.645 8.097 -15.733 1.00 0.00 C ATOM 717 C PHE A 48 -16.774 8.276 -14.492 1.00 0.00 C ATOM 718 O PHE A 48 -15.847 7.501 -14.256 1.00 0.00 O ATOM 719 CB PHE A 48 -17.228 9.101 -16.810 1.00 0.00 C ATOM 720 CG PHE A 48 -15.744 9.160 -17.034 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.121 8.256 -17.879 1.00 0.00 C ATOM 722 CD2 PHE A 48 -14.972 10.119 -16.399 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.756 8.307 -18.087 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.607 10.176 -16.603 1.00 0.00 C ATOM 725 CZ PHE A 48 -12.997 9.268 -17.447 1.00 0.00 C ATOM 0 H PHE A 48 -19.491 9.087 -15.819 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.502 7.086 -16.113 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.719 8.840 -17.748 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.584 10.092 -16.529 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.709 7.502 -18.381 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.443 10.830 -15.737 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.283 7.597 -18.749 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.017 10.930 -16.103 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.930 9.309 -17.606 1.00 0.00 H new ATOM 735 N ILE A 49 -17.080 9.301 -13.705 1.00 0.00 N ATOM 736 CA ILE A 49 -16.327 9.582 -12.489 1.00 0.00 C ATOM 737 C ILE A 49 -16.494 8.461 -11.469 1.00 0.00 C ATOM 738 O ILE A 49 -15.536 8.065 -10.804 1.00 0.00 O ATOM 739 CB ILE A 49 -16.765 10.912 -11.849 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.550 12.069 -12.827 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.001 11.155 -10.557 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.611 13.143 -12.736 1.00 0.00 C ATOM 0 H ILE A 49 -17.844 9.951 -13.887 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.278 9.656 -12.777 1.00 0.00 H new ATOM 0 HB ILE A 49 -17.828 10.852 -11.614 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.574 12.517 -12.638 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.529 11.676 -13.843 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.322 12.099 -10.117 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.200 10.342 -9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.933 11.198 -10.769 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.394 13.931 -13.458 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.587 12.710 -12.954 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.617 13.564 -11.731 1.00 0.00 H new ATOM 754 N SER A 50 -17.716 7.951 -11.352 1.00 0.00 N ATOM 755 CA SER A 50 -18.009 6.877 -10.411 1.00 0.00 C ATOM 756 C SER A 50 -17.497 5.539 -10.937 1.00 0.00 C ATOM 757 O SER A 50 -17.192 4.631 -10.164 1.00 0.00 O ATOM 758 CB SER A 50 -19.515 6.793 -10.152 1.00 0.00 C ATOM 759 OG SER A 50 -19.784 6.185 -8.901 1.00 0.00 O ATOM 0 H SER A 50 -18.519 8.265 -11.897 1.00 0.00 H new ATOM 0 HA SER A 50 -17.498 7.099 -9.474 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.947 7.793 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.993 6.222 -10.948 1.00 0.00 H new ATOM 0 HG SER A 50 -20.753 6.145 -8.759 1.00 0.00 H new ATOM 765 N ARG A 51 -17.405 5.426 -12.258 1.00 0.00 N ATOM 766 CA ARG A 51 -16.932 4.200 -12.889 1.00 0.00 C ATOM 767 C ARG A 51 -15.423 4.048 -12.716 1.00 0.00 C ATOM 768 O ARG A 51 -14.930 2.964 -12.402 1.00 0.00 O ATOM 769 CB ARG A 51 -17.289 4.196 -14.376 1.00 0.00 C ATOM 770 CG ARG A 51 -16.744 2.994 -15.130 1.00 0.00 C ATOM 771 CD ARG A 51 -17.581 2.683 -16.361 1.00 0.00 C ATOM 772 NE ARG A 51 -16.837 1.902 -17.346 1.00 0.00 N ATOM 773 CZ ARG A 51 -17.280 1.652 -18.573 1.00 0.00 C ATOM 774 NH1 ARG A 51 -18.458 2.118 -18.964 1.00 0.00 N ATOM 775 NH2 ARG A 51 -16.545 0.934 -19.412 1.00 0.00 N ATOM 0 H ARG A 51 -17.652 6.169 -12.912 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.423 3.357 -12.403 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.374 4.219 -14.481 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.905 5.107 -14.836 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.714 3.187 -15.428 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.728 2.126 -14.471 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -18.474 2.134 -16.063 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -17.917 3.615 -16.816 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.927 1.528 -17.077 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -19.027 2.670 -18.322 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -18.796 1.924 -19.907 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.638 0.573 -19.115 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.887 0.743 -20.354 1.00 0.00 H new ATOM 789 N PHE A 52 -14.696 5.140 -12.925 1.00 0.00 N ATOM 790 CA PHE A 52 -13.243 5.128 -12.794 1.00 0.00 C ATOM 791 C PHE A 52 -12.825 5.373 -11.347 1.00 0.00 C ATOM 792 O PHE A 52 -12.098 4.575 -10.756 1.00 0.00 O ATOM 793 CB PHE A 52 -12.619 6.188 -13.704 1.00 0.00 C ATOM 794 CG PHE A 52 -12.171 5.649 -15.032 1.00 0.00 C ATOM 795 CD1 PHE A 52 -11.001 4.913 -15.137 1.00 0.00 C ATOM 796 CD2 PHE A 52 -12.918 5.879 -16.176 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.586 4.416 -16.358 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.508 5.384 -17.399 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.340 4.652 -17.491 1.00 0.00 C ATOM 0 H PHE A 52 -15.089 6.045 -13.186 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.884 4.144 -13.095 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.344 6.985 -13.870 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.765 6.635 -13.195 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.407 4.726 -14.255 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.831 6.452 -16.111 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.673 3.843 -16.426 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.100 5.569 -18.283 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.017 4.265 -18.446 1.00 0.00 H new ATOM 809 N ALA A 53 -13.290 6.483 -10.783 1.00 0.00 N ATOM 810 CA ALA A 53 -12.967 6.834 -9.406 1.00 0.00 C ATOM 811 C ALA A 53 -13.916 6.150 -8.428 1.00 0.00 C ATOM 812 O ALA A 53 -15.091 5.942 -8.732 1.00 0.00 O ATOM 813 CB ALA A 53 -13.012 8.343 -9.221 1.00 0.00 C ATOM 0 H ALA A 53 -13.892 7.155 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.956 6.484 -9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.769 8.590 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.288 8.813 -9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.012 8.709 -9.456 1.00 0.00 H new ATOM 819 N ARG A 54 -13.400 5.802 -7.254 1.00 0.00 N ATOM 820 CA ARG A 54 -14.202 5.140 -6.232 1.00 0.00 C ATOM 821 C ARG A 54 -14.577 6.115 -5.119 1.00 0.00 C ATOM 822 O ARG A 54 -14.104 7.252 -5.089 1.00 0.00 O ATOM 823 CB ARG A 54 -13.440 3.950 -5.647 1.00 0.00 C ATOM 824 CG ARG A 54 -13.498 2.704 -6.515 1.00 0.00 C ATOM 825 CD ARG A 54 -12.468 1.673 -6.080 1.00 0.00 C ATOM 826 NE ARG A 54 -11.137 1.976 -6.598 1.00 0.00 N ATOM 827 CZ ARG A 54 -10.101 1.152 -6.490 1.00 0.00 C ATOM 828 NH1 ARG A 54 -10.242 -0.019 -5.885 1.00 0.00 N ATOM 829 NH2 ARG A 54 -8.921 1.499 -6.987 1.00 0.00 N ATOM 0 H ARG A 54 -12.430 5.968 -6.987 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.118 4.781 -6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.397 4.233 -5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.847 3.717 -4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.496 2.268 -6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.325 2.976 -7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.433 1.633 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.775 0.686 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.995 2.870 -7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.148 -0.289 -5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.445 -0.650 -5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.809 2.400 -7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.126 0.865 -6.903 1.00 0.00 H new ATOM 843 N THR A 55 -15.430 5.662 -4.206 1.00 0.00 N ATOM 844 CA THR A 55 -15.870 6.493 -3.092 1.00 0.00 C ATOM 845 C THR A 55 -15.853 5.712 -1.783 1.00 0.00 C ATOM 846 O THR A 55 -15.117 6.051 -0.857 1.00 0.00 O ATOM 847 CB THR A 55 -17.288 7.046 -3.330 1.00 0.00 C ATOM 848 OG1 THR A 55 -18.195 5.970 -3.591 1.00 0.00 O ATOM 849 CG2 THR A 55 -17.300 8.021 -4.497 1.00 0.00 C ATOM 0 H THR A 55 -15.830 4.724 -4.216 1.00 0.00 H new ATOM 0 HA THR A 55 -15.170 7.326 -3.023 1.00 0.00 H new ATOM 0 HB THR A 55 -17.603 7.577 -2.432 1.00 0.00 H new ATOM 0 HG1 THR A 55 -19.095 6.329 -3.740 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.312 8.398 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.630 8.854 -4.282 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.966 7.511 -5.401 1.00 0.00 H new ATOM 857 N ASP A 56 -16.668 4.666 -1.714 1.00 0.00 N ATOM 858 CA ASP A 56 -16.746 3.835 -0.518 1.00 0.00 C ATOM 859 C ASP A 56 -15.406 3.162 -0.236 1.00 0.00 C ATOM 860 O ASP A 56 -14.663 2.829 -1.158 1.00 0.00 O ATOM 861 CB ASP A 56 -17.839 2.777 -0.676 1.00 0.00 C ATOM 862 CG ASP A 56 -18.403 2.323 0.656 1.00 0.00 C ATOM 863 OD1 ASP A 56 -18.576 3.179 1.549 1.00 0.00 O ATOM 864 OD2 ASP A 56 -18.671 1.113 0.805 1.00 0.00 O ATOM 0 H ASP A 56 -17.284 4.373 -2.472 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.994 4.479 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.645 3.180 -1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.433 1.916 -1.208 1.00 0.00 H new ATOM 869 N GLU A 57 -15.106 2.966 1.044 1.00 0.00 N ATOM 870 CA GLU A 57 -13.854 2.334 1.446 1.00 0.00 C ATOM 871 C GLU A 57 -12.661 3.026 0.793 1.00 0.00 C ATOM 872 O GLU A 57 -11.906 2.407 0.043 1.00 0.00 O ATOM 873 CB GLU A 57 -13.864 0.850 1.074 1.00 0.00 C ATOM 874 CG GLU A 57 -14.549 -0.032 2.104 1.00 0.00 C ATOM 875 CD GLU A 57 -15.391 -1.122 1.471 1.00 0.00 C ATOM 876 OE1 GLU A 57 -16.401 -0.787 0.817 1.00 0.00 O ATOM 877 OE2 GLU A 57 -15.041 -2.310 1.629 1.00 0.00 O ATOM 0 H GLU A 57 -15.711 3.235 1.820 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.759 2.429 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.365 0.728 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.837 0.510 0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.795 -0.487 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.181 0.585 2.743 1.00 0.00 H new ATOM 884 N ILE A 58 -12.499 4.313 1.084 1.00 0.00 N ATOM 885 CA ILE A 58 -11.398 5.089 0.526 1.00 0.00 C ATOM 886 C ILE A 58 -10.056 4.603 1.063 1.00 0.00 C ATOM 887 O ILE A 58 -9.959 4.155 2.205 1.00 0.00 O ATOM 888 CB ILE A 58 -11.552 6.589 0.839 1.00 0.00 C ATOM 889 CG1 ILE A 58 -10.525 7.404 0.051 1.00 0.00 C ATOM 890 CG2 ILE A 58 -11.400 6.837 2.332 1.00 0.00 C ATOM 891 CD1 ILE A 58 -9.253 7.681 0.822 1.00 0.00 C ATOM 0 H ILE A 58 -13.116 4.840 1.702 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.427 4.947 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.550 6.908 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.276 6.870 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.975 8.352 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.511 7.902 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.166 6.281 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.414 6.506 2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.571 8.263 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.490 8.242 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.780 6.738 1.095 1.00 0.00 H new ATOM 903 N MET A 59 -9.023 4.698 0.232 1.00 0.00 N ATOM 904 CA MET A 59 -7.685 4.271 0.625 1.00 0.00 C ATOM 905 C MET A 59 -6.769 5.474 0.828 1.00 0.00 C ATOM 906 O MET A 59 -6.073 5.915 -0.086 1.00 0.00 O ATOM 907 CB MET A 59 -7.094 3.337 -0.432 1.00 0.00 C ATOM 908 CG MET A 59 -7.282 3.835 -1.856 1.00 0.00 C ATOM 909 SD MET A 59 -6.611 2.698 -3.084 1.00 0.00 S ATOM 910 CE MET A 59 -8.017 1.623 -3.354 1.00 0.00 C ATOM 0 H MET A 59 -9.087 5.067 -0.717 1.00 0.00 H new ATOM 0 HA MET A 59 -7.764 3.734 1.570 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.029 3.210 -0.238 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.555 2.354 -0.336 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.345 3.984 -2.047 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.799 4.806 -1.964 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.758 0.864 -4.092 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.291 1.140 -2.416 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.860 2.211 -3.719 1.00 0.00 H new ATOM 920 N PRO A 60 -6.768 6.017 2.055 1.00 0.00 N ATOM 921 CA PRO A 60 -5.942 7.176 2.406 1.00 0.00 C ATOM 922 C PRO A 60 -4.456 6.837 2.449 1.00 0.00 C ATOM 923 O PRO A 60 -3.608 7.689 2.187 1.00 0.00 O ATOM 924 CB PRO A 60 -6.443 7.559 3.801 1.00 0.00 C ATOM 925 CG PRO A 60 -7.004 6.298 4.361 1.00 0.00 C ATOM 926 CD PRO A 60 -7.573 5.543 3.193 1.00 0.00 C ATOM 0 HA PRO A 60 -6.030 7.976 1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.633 7.942 4.421 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.201 8.341 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.231 5.716 4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.775 6.509 5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.482 4.465 3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.632 5.758 3.053 1.00 0.00 H new ATOM 934 N GLU A 61 -4.148 5.586 2.779 1.00 0.00 N ATOM 935 CA GLU A 61 -2.763 5.136 2.856 1.00 0.00 C ATOM 936 C GLU A 61 -2.076 5.256 1.499 1.00 0.00 C ATOM 937 O GLU A 61 -0.852 5.352 1.417 1.00 0.00 O ATOM 938 CB GLU A 61 -2.701 3.687 3.345 1.00 0.00 C ATOM 939 CG GLU A 61 -3.639 2.752 2.600 1.00 0.00 C ATOM 940 CD GLU A 61 -3.198 1.303 2.675 1.00 0.00 C ATOM 941 OE1 GLU A 61 -2.010 1.058 2.970 1.00 0.00 O ATOM 942 OE2 GLU A 61 -4.044 0.414 2.439 1.00 0.00 O ATOM 0 H GLU A 61 -4.838 4.867 2.997 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.239 5.775 3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.679 3.321 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.943 3.660 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.643 2.844 3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.696 3.057 1.555 1.00 0.00 H new ATOM 949 N ASP A 62 -2.874 5.248 0.436 1.00 0.00 N ATOM 950 CA ASP A 62 -2.344 5.356 -0.918 1.00 0.00 C ATOM 951 C ASP A 62 -1.416 6.561 -1.044 1.00 0.00 C ATOM 952 O ASP A 62 -1.342 7.398 -0.145 1.00 0.00 O ATOM 953 CB ASP A 62 -3.487 5.469 -1.928 1.00 0.00 C ATOM 954 CG ASP A 62 -4.151 6.832 -1.901 1.00 0.00 C ATOM 955 OD1 ASP A 62 -4.039 7.526 -0.869 1.00 0.00 O ATOM 956 OD2 ASP A 62 -4.781 7.204 -2.912 1.00 0.00 O ATOM 0 H ASP A 62 -3.890 5.168 0.486 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.770 4.454 -1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.103 5.275 -2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.231 4.701 -1.717 1.00 0.00 H new ATOM 961 N LYS A 63 -0.708 6.641 -2.166 1.00 0.00 N ATOM 962 CA LYS A 63 0.215 7.742 -2.411 1.00 0.00 C ATOM 963 C LYS A 63 0.002 8.332 -3.802 1.00 0.00 C ATOM 964 O LYS A 63 -0.620 7.709 -4.663 1.00 0.00 O ATOM 965 CB LYS A 63 1.662 7.264 -2.264 1.00 0.00 C ATOM 966 CG LYS A 63 2.622 8.357 -1.825 1.00 0.00 C ATOM 967 CD LYS A 63 3.893 7.776 -1.230 1.00 0.00 C ATOM 968 CE LYS A 63 4.941 8.853 -0.994 1.00 0.00 C ATOM 969 NZ LYS A 63 4.791 9.488 0.345 1.00 0.00 N ATOM 0 H LYS A 63 -0.756 5.956 -2.920 1.00 0.00 H new ATOM 0 HA LYS A 63 0.018 8.519 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.695 6.450 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.000 6.856 -3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.873 8.986 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.134 8.997 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.661 7.280 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.295 7.016 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.936 8.417 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.859 9.615 -1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.523 10.216 0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.851 9.927 0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.894 8.765 1.086 1.00 0.00 H new ATOM 983 N THR A 64 0.524 9.536 -4.016 1.00 0.00 N ATOM 984 CA THR A 64 0.391 10.209 -5.301 1.00 0.00 C ATOM 985 C THR A 64 1.414 9.687 -6.303 1.00 0.00 C ATOM 986 O THR A 64 2.615 9.673 -6.030 1.00 0.00 O ATOM 987 CB THR A 64 0.561 11.733 -5.158 1.00 0.00 C ATOM 988 OG1 THR A 64 0.656 12.087 -3.774 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.607 12.470 -5.796 1.00 0.00 C ATOM 0 H THR A 64 1.043 10.065 -3.315 1.00 0.00 H new ATOM 0 HA THR A 64 -0.614 9.996 -5.667 1.00 0.00 H new ATOM 0 HB THR A 64 1.478 12.024 -5.671 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.766 13.057 -3.691 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.465 13.545 -5.682 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.659 12.221 -6.856 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.535 12.173 -5.307 1.00 0.00 H new ATOM 997 N VAL A 65 0.932 9.257 -7.465 1.00 0.00 N ATOM 998 CA VAL A 65 1.806 8.736 -8.510 1.00 0.00 C ATOM 999 C VAL A 65 1.734 9.595 -9.767 1.00 0.00 C ATOM 1000 O VAL A 65 2.548 9.451 -10.678 1.00 0.00 O ATOM 1001 CB VAL A 65 1.442 7.284 -8.873 1.00 0.00 C ATOM 1002 CG1 VAL A 65 0.078 7.227 -9.544 1.00 0.00 C ATOM 1003 CG2 VAL A 65 2.511 6.674 -9.766 1.00 0.00 C ATOM 0 H VAL A 65 -0.059 9.259 -7.706 1.00 0.00 H new ATOM 0 HA VAL A 65 2.821 8.761 -8.114 1.00 0.00 H new ATOM 0 HB VAL A 65 1.393 6.700 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.162 6.193 -9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.678 7.622 -8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.095 7.825 -10.455 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.237 5.648 -10.012 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.595 7.257 -10.683 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.468 6.679 -9.244 1.00 0.00 H new ATOM 1013 N GLY A 66 0.753 10.492 -9.809 1.00 0.00 N ATOM 1014 CA GLY A 66 0.592 11.363 -10.958 1.00 0.00 C ATOM 1015 C GLY A 66 -0.696 12.160 -10.907 1.00 0.00 C ATOM 1016 O GLY A 66 -1.706 11.689 -10.383 1.00 0.00 O ATOM 0 H GLY A 66 0.067 10.631 -9.067 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.438 12.049 -11.011 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.609 10.764 -11.869 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.662 13.372 -11.450 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.836 14.238 -11.462 1.00 0.00 C ATOM 1022 C PHE A 67 -2.036 14.865 -12.838 1.00 0.00 C ATOM 1023 O PHE A 67 -1.072 15.215 -13.519 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.696 15.335 -10.404 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.370 16.038 -10.441 1.00 0.00 C ATOM 1026 CD1 PHE A 67 0.726 15.513 -9.775 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -0.218 17.223 -11.142 1.00 0.00 C ATOM 1028 CE1 PHE A 67 1.948 16.157 -9.807 1.00 0.00 C ATOM 1029 CE2 PHE A 67 1.002 17.872 -11.178 1.00 0.00 C ATOM 1030 CZ PHE A 67 2.086 17.339 -10.509 1.00 0.00 C ATOM 0 H PHE A 67 0.165 13.777 -11.888 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.709 13.628 -11.231 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.491 16.068 -10.545 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.838 14.896 -9.416 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.624 14.590 -9.224 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.063 17.645 -11.667 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.794 15.737 -9.284 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.107 18.795 -11.729 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.040 17.845 -10.534 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.295 15.002 -13.242 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.623 15.587 -14.537 1.00 0.00 C ATOM 1042 C VAL A 68 -4.690 16.667 -14.398 1.00 0.00 C ATOM 1043 O VAL A 68 -5.816 16.393 -13.984 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.119 14.516 -15.527 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.468 15.148 -16.866 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.072 13.426 -15.700 1.00 0.00 C ATOM 0 H VAL A 68 -4.104 14.716 -12.691 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.707 16.033 -14.924 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.022 14.060 -15.121 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.816 14.377 -17.553 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.254 15.890 -16.724 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.584 15.631 -17.282 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.439 12.678 -16.403 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.151 13.864 -16.084 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.875 12.954 -14.737 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.327 17.898 -14.746 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.254 19.020 -14.662 1.00 0.00 C ATOM 1058 C VAL A 69 -5.933 19.274 -16.003 1.00 0.00 C ATOM 1059 O VAL A 69 -5.279 19.622 -16.986 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.537 20.307 -14.210 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.517 21.468 -14.140 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.854 20.092 -12.868 1.00 0.00 C ATOM 0 H VAL A 69 -3.398 18.143 -15.089 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.008 18.753 -13.922 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.772 20.554 -14.946 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.993 22.368 -13.819 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.955 21.635 -15.124 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.307 21.235 -13.426 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.353 21.011 -12.564 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.599 19.820 -12.120 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.120 19.291 -12.957 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.250 19.098 -16.035 1.00 0.00 N ATOM 1073 CA VAL A 70 -8.020 19.310 -17.255 1.00 0.00 C ATOM 1074 C VAL A 70 -9.131 20.330 -17.034 1.00 0.00 C ATOM 1075 O VAL A 70 -10.085 20.075 -16.302 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.640 17.995 -17.763 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.469 18.243 -19.014 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.554 16.963 -18.030 1.00 0.00 C ATOM 0 H VAL A 70 -7.806 18.809 -15.230 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.326 19.690 -18.005 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.301 17.603 -16.990 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.899 17.302 -19.358 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.270 18.946 -18.786 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.833 18.658 -19.796 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.010 16.040 -18.388 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.867 17.345 -18.785 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.007 16.764 -17.109 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.999 21.488 -17.674 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.992 22.548 -17.547 1.00 0.00 C ATOM 1090 C ASN A 71 -10.499 22.985 -18.918 1.00 0.00 C ATOM 1091 O ASN A 71 -9.762 23.579 -19.704 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.397 23.747 -16.805 1.00 0.00 C ATOM 1093 CG ASN A 71 -9.330 23.524 -15.307 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -10.109 24.099 -14.547 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -8.395 22.685 -14.875 1.00 0.00 N ATOM 0 H ASN A 71 -8.215 21.715 -18.285 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.834 22.157 -16.975 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.395 23.945 -17.185 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.997 24.633 -17.011 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.302 22.495 -13.877 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.771 22.230 -15.541 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.764 22.687 -19.198 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.371 23.051 -20.472 1.00 0.00 C ATOM 1104 C ALA A 72 -12.720 24.535 -20.510 1.00 0.00 C ATOM 1105 O ALA A 72 -12.545 25.198 -21.532 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.612 22.208 -20.726 1.00 0.00 C ATOM 0 H ALA A 72 -12.388 22.194 -18.559 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.645 22.855 -21.261 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.055 22.491 -21.681 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.337 21.154 -20.752 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.335 22.375 -19.927 1.00 0.00 H new ATOM 1112 N ASP A 73 -13.216 25.050 -19.390 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.590 26.456 -19.295 1.00 0.00 C ATOM 1114 C ASP A 73 -12.380 27.357 -19.522 1.00 0.00 C ATOM 1115 O ASP A 73 -12.412 28.260 -20.359 1.00 0.00 O ATOM 1116 CB ASP A 73 -14.210 26.750 -17.928 1.00 0.00 C ATOM 1117 CG ASP A 73 -15.314 27.786 -18.004 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -16.069 27.777 -18.999 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -15.424 28.605 -17.068 1.00 0.00 O ATOM 0 H ASP A 73 -13.368 24.515 -18.535 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.326 26.663 -20.072 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.610 25.827 -17.508 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.434 27.100 -17.248 1.00 0.00 H new ATOM 1124 N LYS A 74 -11.313 27.106 -18.771 1.00 0.00 N ATOM 1125 CA LYS A 74 -10.091 27.893 -18.889 1.00 0.00 C ATOM 1126 C LYS A 74 -9.228 27.388 -20.041 1.00 0.00 C ATOM 1127 O LYS A 74 -8.301 28.069 -20.482 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.297 27.841 -17.582 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.760 28.854 -16.549 1.00 0.00 C ATOM 1130 CD LYS A 74 -10.885 28.300 -15.690 1.00 0.00 C ATOM 1131 CE LYS A 74 -11.298 29.287 -14.609 1.00 0.00 C ATOM 1132 NZ LYS A 74 -10.221 29.489 -13.602 1.00 0.00 N ATOM 0 H LYS A 74 -11.270 26.363 -18.073 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.373 28.926 -19.094 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.376 26.840 -17.158 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.243 28.012 -17.800 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.921 29.136 -15.913 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.098 29.760 -17.052 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.744 28.067 -16.319 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.566 27.366 -15.228 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.550 30.243 -15.067 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.197 28.925 -14.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.608 29.986 -12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.845 28.566 -13.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.457 30.057 -14.020 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.538 26.191 -20.526 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.793 25.594 -21.629 1.00 0.00 C ATOM 1148 C LYS A 75 -7.344 25.338 -21.230 1.00 0.00 C ATOM 1149 O LYS A 75 -6.415 25.781 -21.908 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.842 26.507 -22.856 1.00 0.00 C ATOM 1151 CG LYS A 75 -10.231 27.038 -23.164 1.00 0.00 C ATOM 1152 CD LYS A 75 -10.234 27.900 -24.416 1.00 0.00 C ATOM 1153 CE LYS A 75 -11.586 28.562 -24.634 1.00 0.00 C ATOM 1154 NZ LYS A 75 -12.573 27.622 -25.233 1.00 0.00 N ATOM 0 H LYS A 75 -10.301 25.614 -20.172 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.258 24.639 -21.875 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.167 27.348 -22.699 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.472 25.958 -23.722 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.920 26.203 -23.294 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.594 27.622 -22.318 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.462 28.665 -24.334 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.984 27.287 -25.282 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.967 28.931 -23.682 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.466 29.427 -25.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.481 28.111 -25.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.221 27.289 -26.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.707 26.809 -24.599 1.00 0.00 H new ATOM 1168 N LEU A 76 -7.156 24.620 -20.128 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.818 24.303 -19.640 1.00 0.00 C ATOM 1170 C LEU A 76 -5.626 22.795 -19.517 1.00 0.00 C ATOM 1171 O LEU A 76 -6.393 22.116 -18.836 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.576 24.972 -18.286 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.934 26.456 -18.196 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -6.163 26.863 -16.749 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.840 27.306 -18.825 1.00 0.00 C ATOM 0 H LEU A 76 -7.913 24.246 -19.556 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.095 24.685 -20.361 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.149 24.434 -17.530 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.523 24.857 -18.030 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.859 26.622 -18.748 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.417 27.922 -16.705 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.981 26.276 -16.331 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.256 26.683 -16.172 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.111 28.359 -18.752 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.900 27.136 -18.300 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.724 27.032 -19.874 1.00 0.00 H new ATOM 1187 N MET A 77 -4.596 22.279 -20.180 1.00 0.00 N ATOM 1188 CA MET A 77 -4.302 20.851 -20.142 1.00 0.00 C ATOM 1189 C MET A 77 -2.891 20.601 -19.619 1.00 0.00 C ATOM 1190 O MET A 77 -1.911 21.064 -20.203 1.00 0.00 O ATOM 1191 CB MET A 77 -4.459 20.239 -21.535 1.00 0.00 C ATOM 1192 CG MET A 77 -5.805 20.527 -22.178 1.00 0.00 C ATOM 1193 SD MET A 77 -7.190 19.943 -21.181 1.00 0.00 S ATOM 1194 CE MET A 77 -8.525 20.940 -21.839 1.00 0.00 C ATOM 0 H MET A 77 -3.952 22.828 -20.749 1.00 0.00 H new ATOM 0 HA MET A 77 -5.011 20.377 -19.464 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.668 20.620 -22.181 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.322 19.160 -21.466 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.905 21.601 -22.338 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.843 20.054 -23.159 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.452 20.694 -21.322 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.297 21.996 -21.692 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.639 20.738 -22.904 1.00 0.00 H new ATOM 1204 N SER A 78 -2.795 19.866 -18.515 1.00 0.00 N ATOM 1205 CA SER A 78 -1.504 19.558 -17.912 1.00 0.00 C ATOM 1206 C SER A 78 -1.482 18.130 -17.375 1.00 0.00 C ATOM 1207 O SER A 78 -2.418 17.691 -16.708 1.00 0.00 O ATOM 1208 CB SER A 78 -1.196 20.544 -16.783 1.00 0.00 C ATOM 1209 OG SER A 78 -0.940 21.841 -17.295 1.00 0.00 O ATOM 0 H SER A 78 -3.596 19.473 -18.021 1.00 0.00 H new ATOM 0 HA SER A 78 -0.740 19.650 -18.684 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.036 20.582 -16.090 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.332 20.196 -16.217 1.00 0.00 H new ATOM 0 HG SER A 78 -0.748 22.453 -16.554 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.405 17.409 -17.672 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.259 16.031 -17.219 1.00 0.00 C ATOM 1217 C VAL A 79 1.054 15.836 -16.469 1.00 0.00 C ATOM 1218 O VAL A 79 2.102 16.320 -16.895 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.315 15.044 -18.400 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.593 15.239 -19.200 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.910 15.206 -19.288 1.00 0.00 C ATOM 0 H VAL A 79 0.379 17.757 -18.224 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.092 15.828 -16.546 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.316 14.029 -18.002 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.614 14.533 -20.030 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.455 15.068 -18.556 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.627 16.257 -19.589 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.854 14.501 -20.117 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.945 16.223 -19.678 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.810 15.010 -18.705 1.00 0.00 H new ATOM 1231 N SER A 80 0.989 15.122 -15.350 1.00 0.00 N ATOM 1232 CA SER A 80 2.172 14.864 -14.537 1.00 0.00 C ATOM 1233 C SER A 80 2.219 13.406 -14.092 1.00 0.00 C ATOM 1234 O SER A 80 1.588 13.026 -13.106 1.00 0.00 O ATOM 1235 CB SER A 80 2.187 15.784 -13.315 1.00 0.00 C ATOM 1236 OG SER A 80 2.324 17.141 -13.698 1.00 0.00 O ATOM 0 H SER A 80 0.129 14.712 -14.985 1.00 0.00 H new ATOM 0 HA SER A 80 3.053 15.067 -15.146 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.265 15.655 -12.748 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.009 15.504 -12.656 1.00 0.00 H new ATOM 0 HG SER A 80 1.913 17.716 -13.019 1.00 0.00 H new ATOM 1242 N PHE A 81 2.970 12.593 -14.827 1.00 0.00 N ATOM 1243 CA PHE A 81 3.099 11.176 -14.510 1.00 0.00 C ATOM 1244 C PHE A 81 4.404 10.901 -13.768 1.00 0.00 C ATOM 1245 O PHE A 81 5.462 11.409 -14.141 1.00 0.00 O ATOM 1246 CB PHE A 81 3.041 10.338 -15.789 1.00 0.00 C ATOM 1247 CG PHE A 81 1.654 10.191 -16.346 1.00 0.00 C ATOM 1248 CD1 PHE A 81 0.932 11.305 -16.745 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.072 8.940 -16.472 1.00 0.00 C ATOM 1250 CE1 PHE A 81 -0.345 11.173 -17.257 1.00 0.00 C ATOM 1251 CE2 PHE A 81 -0.205 8.802 -16.984 1.00 0.00 C ATOM 1252 CZ PHE A 81 -0.913 9.920 -17.378 1.00 0.00 C ATOM 0 H PHE A 81 3.499 12.891 -15.647 1.00 0.00 H new ATOM 0 HA PHE A 81 2.267 10.897 -13.863 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.680 10.796 -16.544 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.449 9.348 -15.584 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.372 12.287 -16.655 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.622 8.062 -16.167 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.898 12.049 -17.562 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.648 7.821 -17.076 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.910 9.815 -17.780 1.00 0.00 H new ATOM 1262 N SER A 82 4.321 10.094 -12.715 1.00 0.00 N ATOM 1263 CA SER A 82 5.493 9.755 -11.917 1.00 0.00 C ATOM 1264 C SER A 82 5.733 8.248 -11.917 1.00 0.00 C ATOM 1265 O SER A 82 4.840 7.467 -11.587 1.00 0.00 O ATOM 1266 CB SER A 82 5.322 10.256 -10.482 1.00 0.00 C ATOM 1267 OG SER A 82 6.560 10.680 -9.938 1.00 0.00 O ATOM 0 H SER A 82 3.454 9.663 -12.395 1.00 0.00 H new ATOM 0 HA SER A 82 6.359 10.243 -12.363 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.612 11.082 -10.464 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.903 9.462 -9.864 1.00 0.00 H new ATOM 0 HG SER A 82 6.423 10.997 -9.021 1.00 0.00 H new ATOM 1273 N ASP A 83 6.943 7.848 -12.289 1.00 0.00 N ATOM 1274 CA ASP A 83 7.302 6.435 -12.332 1.00 0.00 C ATOM 1275 C ASP A 83 6.447 5.688 -13.350 1.00 0.00 C ATOM 1276 O ASP A 83 5.414 5.113 -13.005 1.00 0.00 O ATOM 1277 CB ASP A 83 7.139 5.804 -10.948 1.00 0.00 C ATOM 1278 CG ASP A 83 7.569 6.735 -9.832 1.00 0.00 C ATOM 1279 OD1 ASP A 83 8.650 7.348 -9.954 1.00 0.00 O ATOM 1280 OD2 ASP A 83 6.823 6.852 -8.837 1.00 0.00 O ATOM 0 H ASP A 83 7.693 8.482 -12.565 1.00 0.00 H new ATOM 0 HA ASP A 83 8.346 6.359 -12.637 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.096 5.523 -10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.726 4.887 -10.899 1.00 0.00 H new ATOM 1285 N ILE A 84 6.883 5.701 -14.605 1.00 0.00 N ATOM 1286 CA ILE A 84 6.157 5.024 -15.673 1.00 0.00 C ATOM 1287 C ILE A 84 7.114 4.304 -16.617 1.00 0.00 C ATOM 1288 O ILE A 84 8.328 4.316 -16.415 1.00 0.00 O ATOM 1289 CB ILE A 84 5.299 6.013 -16.485 1.00 0.00 C ATOM 1290 CG1 ILE A 84 6.136 7.223 -16.904 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.090 6.453 -15.674 1.00 0.00 C ATOM 1292 CD1 ILE A 84 5.416 8.156 -17.852 1.00 0.00 C ATOM 0 H ILE A 84 7.735 6.173 -14.907 1.00 0.00 H new ATOM 0 HA ILE A 84 5.502 4.294 -15.197 1.00 0.00 H new ATOM 0 HB ILE A 84 4.945 5.511 -17.385 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.429 7.778 -16.013 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.053 6.874 -17.378 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.493 7.152 -16.260 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.485 5.582 -15.421 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.424 6.941 -14.758 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.069 8.991 -18.107 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.147 7.616 -18.760 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.513 8.535 -17.374 1.00 0.00 H new ATOM 1304 N ASP A 85 6.559 3.679 -17.649 1.00 0.00 N ATOM 1305 CA ASP A 85 7.362 2.956 -18.628 1.00 0.00 C ATOM 1306 C ASP A 85 7.715 3.852 -19.811 1.00 0.00 C ATOM 1307 O ASP A 85 7.150 4.933 -19.972 1.00 0.00 O ATOM 1308 CB ASP A 85 6.614 1.715 -19.118 1.00 0.00 C ATOM 1309 CG ASP A 85 5.957 0.951 -17.985 1.00 0.00 C ATOM 1310 OD1 ASP A 85 6.541 0.905 -16.882 1.00 0.00 O ATOM 1311 OD2 ASP A 85 4.858 0.399 -18.201 1.00 0.00 O ATOM 0 H ASP A 85 5.555 3.658 -17.830 1.00 0.00 H new ATOM 0 HA ASP A 85 8.287 2.645 -18.142 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.854 2.014 -19.840 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.309 1.058 -19.641 1.00 0.00 H new ATOM 1316 N GLU A 86 8.654 3.395 -20.634 1.00 0.00 N ATOM 1317 CA GLU A 86 9.083 4.158 -21.800 1.00 0.00 C ATOM 1318 C GLU A 86 8.037 4.090 -22.909 1.00 0.00 C ATOM 1319 O GLU A 86 7.819 5.062 -23.631 1.00 0.00 O ATOM 1320 CB GLU A 86 10.424 3.631 -22.316 1.00 0.00 C ATOM 1321 CG GLU A 86 10.400 2.155 -22.676 1.00 0.00 C ATOM 1322 CD GLU A 86 11.742 1.654 -23.173 1.00 0.00 C ATOM 1323 OE1 GLU A 86 12.607 1.337 -22.330 1.00 0.00 O ATOM 1324 OE2 GLU A 86 11.928 1.580 -24.406 1.00 0.00 O ATOM 0 H GLU A 86 9.131 2.501 -20.515 1.00 0.00 H new ATOM 0 HA GLU A 86 9.201 5.199 -21.499 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.717 4.206 -23.195 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.187 3.799 -21.556 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.101 1.576 -21.802 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.646 1.984 -23.444 1.00 0.00 H new ATOM 1331 N ASN A 87 7.393 2.935 -23.038 1.00 0.00 N ATOM 1332 CA ASN A 87 6.371 2.739 -24.059 1.00 0.00 C ATOM 1333 C ASN A 87 5.047 3.365 -23.631 1.00 0.00 C ATOM 1334 O ASN A 87 4.230 3.747 -24.468 1.00 0.00 O ATOM 1335 CB ASN A 87 6.175 1.247 -24.335 1.00 0.00 C ATOM 1336 CG ASN A 87 5.554 0.987 -25.694 1.00 0.00 C ATOM 1337 OD1 ASN A 87 4.543 1.591 -26.053 1.00 0.00 O ATOM 1338 ND2 ASN A 87 6.158 0.083 -26.458 1.00 0.00 N ATOM 0 H ASN A 87 7.561 2.120 -22.448 1.00 0.00 H new ATOM 0 HA ASN A 87 6.707 3.230 -24.972 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.138 0.740 -24.276 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.540 0.817 -23.560 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.786 -0.134 -27.382 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.994 -0.394 -26.120 1.00 0.00 H new ATOM 1345 N MET A 88 4.844 3.469 -22.321 1.00 0.00 N ATOM 1346 CA MET A 88 3.621 4.051 -21.782 1.00 0.00 C ATOM 1347 C MET A 88 3.652 5.573 -21.884 1.00 0.00 C ATOM 1348 O MET A 88 2.645 6.204 -22.207 1.00 0.00 O ATOM 1349 CB MET A 88 3.430 3.630 -20.323 1.00 0.00 C ATOM 1350 CG MET A 88 1.975 3.417 -19.938 1.00 0.00 C ATOM 1351 SD MET A 88 1.792 2.474 -18.411 1.00 0.00 S ATOM 1352 CE MET A 88 0.998 3.686 -17.358 1.00 0.00 C ATOM 0 H MET A 88 5.510 3.158 -21.614 1.00 0.00 H new ATOM 0 HA MET A 88 2.782 3.682 -22.372 1.00 0.00 H new ATOM 0 HB2 MET A 88 3.983 2.708 -20.144 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.861 4.392 -19.674 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.488 4.385 -19.823 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.462 2.896 -20.746 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.818 3.252 -16.375 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.643 4.559 -17.257 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.049 3.987 -17.801 1.00 0.00 H new ATOM 1362 N LYS A 89 4.813 6.156 -21.606 1.00 0.00 N ATOM 1363 CA LYS A 89 4.976 7.604 -21.668 1.00 0.00 C ATOM 1364 C LYS A 89 4.766 8.115 -23.089 1.00 0.00 C ATOM 1365 O LYS A 89 4.393 9.270 -23.296 1.00 0.00 O ATOM 1366 CB LYS A 89 6.368 8.002 -21.172 1.00 0.00 C ATOM 1367 CG LYS A 89 7.498 7.453 -22.025 1.00 0.00 C ATOM 1368 CD LYS A 89 8.794 8.209 -21.788 1.00 0.00 C ATOM 1369 CE LYS A 89 9.329 7.971 -20.384 1.00 0.00 C ATOM 1370 NZ LYS A 89 10.499 7.050 -20.385 1.00 0.00 N ATOM 0 H LYS A 89 5.655 5.648 -21.336 1.00 0.00 H new ATOM 0 HA LYS A 89 4.223 8.057 -21.023 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.438 9.089 -21.147 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.494 7.651 -20.148 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.645 6.397 -21.799 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.225 7.519 -23.078 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.538 7.896 -22.520 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.627 9.276 -21.939 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.617 8.923 -19.939 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.539 7.553 -19.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.287 6.219 -19.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.699 6.744 -21.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.330 7.543 -20.000 1.00 0.00 H new ATOM 1384 N LYS A 90 5.005 7.248 -24.067 1.00 0.00 N ATOM 1385 CA LYS A 90 4.840 7.610 -25.469 1.00 0.00 C ATOM 1386 C LYS A 90 3.365 7.785 -25.815 1.00 0.00 C ATOM 1387 O LYS A 90 2.952 8.836 -26.307 1.00 0.00 O ATOM 1388 CB LYS A 90 5.462 6.541 -26.370 1.00 0.00 C ATOM 1389 CG LYS A 90 5.458 6.910 -27.844 1.00 0.00 C ATOM 1390 CD LYS A 90 6.525 7.944 -28.163 1.00 0.00 C ATOM 1391 CE LYS A 90 7.898 7.305 -28.300 1.00 0.00 C ATOM 1392 NZ LYS A 90 8.948 8.310 -28.622 1.00 0.00 N ATOM 0 H LYS A 90 5.314 6.288 -23.914 1.00 0.00 H new ATOM 0 HA LYS A 90 5.350 8.559 -25.636 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.489 6.362 -26.052 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.919 5.605 -26.237 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.626 6.016 -28.444 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.478 7.300 -28.120 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.268 8.459 -29.089 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.550 8.697 -27.375 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.156 6.795 -27.372 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.869 6.547 -29.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.869 7.835 -28.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.716 8.779 -29.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.994 9.020 -27.863 1.00 0.00 H new ATOM 1406 N VAL A 91 2.573 6.750 -25.555 1.00 0.00 N ATOM 1407 CA VAL A 91 1.143 6.791 -25.836 1.00 0.00 C ATOM 1408 C VAL A 91 0.447 7.854 -24.995 1.00 0.00 C ATOM 1409 O VAL A 91 -0.460 8.539 -25.468 1.00 0.00 O ATOM 1410 CB VAL A 91 0.480 5.426 -25.570 1.00 0.00 C ATOM 1411 CG1 VAL A 91 0.739 4.976 -24.141 1.00 0.00 C ATOM 1412 CG2 VAL A 91 -1.013 5.496 -25.853 1.00 0.00 C ATOM 0 H VAL A 91 2.898 5.872 -25.150 1.00 0.00 H new ATOM 0 HA VAL A 91 1.035 7.040 -26.892 1.00 0.00 H new ATOM 0 HB VAL A 91 0.921 4.690 -26.243 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.263 4.010 -23.972 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.813 4.885 -23.977 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.327 5.710 -23.448 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.466 4.523 -25.660 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.471 6.244 -25.206 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.173 5.770 -26.896 1.00 0.00 H new ATOM 1422 N ILE A 92 0.878 7.988 -23.745 1.00 0.00 N ATOM 1423 CA ILE A 92 0.298 8.970 -22.837 1.00 0.00 C ATOM 1424 C ILE A 92 0.630 10.391 -23.280 1.00 0.00 C ATOM 1425 O ILE A 92 -0.227 11.274 -23.263 1.00 0.00 O ATOM 1426 CB ILE A 92 0.793 8.764 -21.394 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.334 7.405 -20.862 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.292 9.887 -20.497 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.087 6.952 -19.631 1.00 0.00 C ATOM 0 H ILE A 92 1.627 7.428 -23.338 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.782 8.827 -22.865 1.00 0.00 H new ATOM 0 HB ILE A 92 1.883 8.783 -21.394 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.730 7.456 -20.629 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.453 6.658 -21.646 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.650 9.728 -19.480 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.665 10.842 -20.867 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.798 9.897 -20.501 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.709 5.982 -19.310 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.149 6.869 -19.864 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.947 7.679 -18.831 1.00 0.00 H new ATOM 1441 N LYS A 93 1.880 10.604 -23.677 1.00 0.00 N ATOM 1442 CA LYS A 93 2.327 11.916 -24.127 1.00 0.00 C ATOM 1443 C LYS A 93 1.619 12.319 -25.417 1.00 0.00 C ATOM 1444 O LYS A 93 1.257 13.481 -25.601 1.00 0.00 O ATOM 1445 CB LYS A 93 3.842 11.916 -24.343 1.00 0.00 C ATOM 1446 CG LYS A 93 4.377 13.222 -24.905 1.00 0.00 C ATOM 1447 CD LYS A 93 5.883 13.171 -25.096 1.00 0.00 C ATOM 1448 CE LYS A 93 6.620 13.404 -23.786 1.00 0.00 C ATOM 1449 NZ LYS A 93 8.071 13.092 -23.902 1.00 0.00 N ATOM 0 H LYS A 93 2.602 9.884 -23.696 1.00 0.00 H new ATOM 0 HA LYS A 93 2.077 12.642 -23.353 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.336 11.710 -23.393 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.104 11.104 -25.021 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.895 13.433 -25.860 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.122 14.040 -24.232 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.166 12.202 -25.506 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.184 13.925 -25.823 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.495 14.442 -23.479 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.177 12.786 -23.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.537 13.264 -22.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.191 12.094 -24.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.500 13.700 -24.629 1.00 0.00 H new ATOM 1463 N ALA A 94 1.423 11.351 -26.307 1.00 0.00 N ATOM 1464 CA ALA A 94 0.756 11.604 -27.577 1.00 0.00 C ATOM 1465 C ALA A 94 -0.721 11.921 -27.368 1.00 0.00 C ATOM 1466 O ALA A 94 -1.245 12.889 -27.921 1.00 0.00 O ATOM 1467 CB ALA A 94 0.915 10.409 -28.505 1.00 0.00 C ATOM 0 H ALA A 94 1.717 10.384 -26.171 1.00 0.00 H new ATOM 0 HA ALA A 94 1.226 12.473 -28.038 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.411 10.613 -29.450 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.974 10.230 -28.689 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.473 9.527 -28.041 1.00 0.00 H new ATOM 1473 N THR A 95 -1.390 11.098 -26.566 1.00 0.00 N ATOM 1474 CA THR A 95 -2.807 11.289 -26.285 1.00 0.00 C ATOM 1475 C THR A 95 -3.057 12.631 -25.606 1.00 0.00 C ATOM 1476 O THR A 95 -4.016 13.332 -25.928 1.00 0.00 O ATOM 1477 CB THR A 95 -3.360 10.164 -25.390 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.218 8.900 -26.049 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.824 10.406 -25.057 1.00 0.00 C ATOM 0 H THR A 95 -0.973 10.293 -26.100 1.00 0.00 H new ATOM 0 HA THR A 95 -3.324 11.267 -27.244 1.00 0.00 H new ATOM 0 HB THR A 95 -2.790 10.156 -24.461 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.297 8.580 -25.948 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.192 9.598 -24.424 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.925 11.355 -24.530 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.406 10.439 -25.978 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.187 12.984 -24.665 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.313 14.244 -23.942 1.00 0.00 C ATOM 1489 C ALA A 96 -2.015 15.430 -24.852 1.00 0.00 C ATOM 1490 O ALA A 96 -2.680 16.463 -24.777 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.385 14.255 -22.736 1.00 0.00 C ATOM 0 H ALA A 96 -1.388 12.415 -24.386 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.342 14.335 -23.595 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.489 15.201 -22.205 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.646 13.434 -22.068 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.354 14.138 -23.069 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.012 15.275 -25.711 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.627 16.336 -26.634 1.00 0.00 C ATOM 1499 C GLU A 97 -1.710 16.563 -27.685 1.00 0.00 C ATOM 1500 O GLU A 97 -1.900 17.680 -28.165 1.00 0.00 O ATOM 1501 CB GLU A 97 0.698 15.991 -27.318 1.00 0.00 C ATOM 1502 CG GLU A 97 1.920 16.483 -26.561 1.00 0.00 C ATOM 1503 CD GLU A 97 2.103 17.985 -26.662 1.00 0.00 C ATOM 1504 OE1 GLU A 97 1.343 18.625 -27.419 1.00 0.00 O ATOM 1505 OE2 GLU A 97 3.006 18.520 -25.985 1.00 0.00 O ATOM 0 H GLU A 97 -0.452 14.426 -25.787 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.504 17.254 -26.060 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.765 14.910 -27.436 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.703 16.422 -28.319 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.831 16.201 -25.512 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.808 15.985 -26.950 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.417 15.495 -28.037 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.482 15.575 -29.030 1.00 0.00 C ATOM 1514 C LYS A 98 -4.496 16.651 -28.655 1.00 0.00 C ATOM 1515 O LYS A 98 -5.161 17.220 -29.520 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.185 14.222 -29.164 1.00 0.00 C ATOM 1517 CG LYS A 98 -4.553 13.868 -30.595 1.00 0.00 C ATOM 1518 CD LYS A 98 -3.319 13.724 -31.469 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.632 12.978 -32.757 1.00 0.00 C ATOM 1520 NZ LYS A 98 -2.416 12.780 -33.593 1.00 0.00 N ATOM 0 H LYS A 98 -2.272 14.563 -27.649 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.033 15.841 -29.987 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.537 13.444 -28.761 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.090 14.230 -28.556 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.119 12.936 -30.606 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.203 14.640 -31.006 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.923 14.711 -31.706 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.542 13.193 -30.919 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.070 12.009 -32.518 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.378 13.533 -33.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.671 12.268 -34.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.012 13.705 -33.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.714 12.228 -33.060 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.607 16.927 -27.359 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.539 17.936 -26.870 1.00 0.00 C ATOM 1536 C PHE A 99 -5.281 19.284 -27.537 1.00 0.00 C ATOM 1537 O PHE A 99 -6.169 20.134 -27.611 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.422 18.075 -25.351 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.208 17.045 -24.592 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -5.857 15.706 -24.649 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.298 17.415 -23.821 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.578 14.755 -23.952 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.022 16.469 -23.121 1.00 0.00 C ATOM 1544 CZ PHE A 99 -7.662 15.137 -23.187 1.00 0.00 C ATOM 0 H PHE A 99 -4.063 16.466 -26.629 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.549 17.614 -27.122 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.372 18.001 -25.067 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.762 19.068 -25.058 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.010 15.402 -25.245 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.585 18.455 -23.767 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.294 13.714 -24.006 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -8.869 16.771 -22.523 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.227 14.396 -22.641 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.059 19.473 -28.022 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.682 20.716 -28.684 1.00 0.00 C ATOM 1556 C LYS A 100 -4.702 21.095 -29.753 1.00 0.00 C ATOM 1557 O LYS A 100 -4.921 22.274 -30.025 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.293 20.582 -29.313 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.603 21.913 -29.554 1.00 0.00 C ATOM 1560 CD LYS A 100 -0.274 21.732 -30.268 1.00 0.00 C ATOM 1561 CE LYS A 100 0.701 22.847 -29.924 1.00 0.00 C ATOM 1562 NZ LYS A 100 1.873 22.862 -30.842 1.00 0.00 N ATOM 0 H LYS A 100 -3.312 18.781 -27.969 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.659 21.506 -27.933 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.667 19.970 -28.664 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.382 20.052 -30.261 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.251 22.557 -30.148 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.439 22.417 -28.601 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.160 20.771 -29.993 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.439 21.711 -31.345 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.187 23.807 -29.975 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.046 22.724 -28.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.514 23.636 -30.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.378 21.955 -30.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.547 23.005 -31.819 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.323 20.086 -30.355 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.321 20.313 -31.394 1.00 0.00 C ATOM 1578 C ASN A 101 -7.420 21.248 -30.897 1.00 0.00 C ATOM 1579 O ASN A 101 -7.918 22.092 -31.642 1.00 0.00 O ATOM 1580 CB ASN A 101 -6.931 18.985 -31.844 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.056 18.258 -32.847 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -5.856 18.726 -33.968 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -5.530 17.106 -32.448 1.00 0.00 N ATOM 0 H ASN A 101 -5.153 19.103 -30.141 1.00 0.00 H new ATOM 0 HA ASN A 101 -5.825 20.783 -32.243 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.089 18.347 -30.974 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.910 19.169 -32.286 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.934 16.572 -33.080 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.722 16.755 -31.510 1.00 0.00 H new ATOM 1590 N LYS A 102 -7.795 21.091 -29.632 1.00 0.00 N ATOM 1591 CA LYS A 102 -8.834 21.920 -29.032 1.00 0.00 C ATOM 1592 C LYS A 102 -8.341 22.559 -27.738 1.00 0.00 C ATOM 1593 O LYS A 102 -9.132 22.882 -26.853 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.086 21.085 -28.757 1.00 0.00 C ATOM 1595 CG LYS A 102 -11.352 21.914 -28.619 1.00 0.00 C ATOM 1596 CD LYS A 102 -12.572 21.036 -28.397 1.00 0.00 C ATOM 1597 CE LYS A 102 -13.858 21.772 -28.741 1.00 0.00 C ATOM 1598 NZ LYS A 102 -14.332 22.618 -27.611 1.00 0.00 N ATOM 0 H LYS A 102 -7.394 20.396 -29.002 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.082 22.714 -29.736 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.218 20.367 -29.566 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.936 20.511 -27.843 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.245 22.607 -27.785 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.494 22.515 -29.517 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.491 20.137 -29.009 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.604 20.712 -27.357 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.695 22.397 -29.619 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.631 21.050 -29.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.210 23.103 -27.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.512 22.019 -26.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.605 23.324 -27.377 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.027 22.739 -27.635 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.452 23.340 -26.446 1.00 0.00 C ATOM 1614 C GLY A 103 -4.944 23.469 -26.533 1.00 0.00 C ATOM 1615 O GLY A 103 -4.211 22.617 -26.030 1.00 0.00 O ATOM 0 H GLY A 103 -6.351 22.479 -28.354 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.890 24.326 -26.293 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.712 22.737 -25.576 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.479 24.536 -27.174 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.048 24.772 -27.327 1.00 0.00 C ATOM 1621 C PHE A 104 -2.332 24.667 -25.984 1.00 0.00 C ATOM 1622 O PHE A 104 -1.165 24.283 -25.918 1.00 0.00 O ATOM 1623 CB PHE A 104 -2.800 26.150 -27.944 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.235 27.288 -27.065 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -4.554 27.713 -27.061 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -2.325 27.932 -26.242 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -4.957 28.759 -26.252 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -2.723 28.978 -25.431 1.00 0.00 C ATOM 1629 CZ PHE A 104 -4.040 29.393 -25.437 1.00 0.00 C ATOM 0 H PHE A 104 -5.072 25.251 -27.596 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.648 24.006 -27.992 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -1.737 26.256 -28.162 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.328 26.214 -28.895 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.275 27.221 -27.697 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.293 27.613 -26.234 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.988 29.080 -26.257 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.004 29.471 -24.793 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.352 30.212 -24.806 1.00 0.00 H new ATOM 1639 N LYS A 105 -3.041 25.013 -24.914 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.476 24.958 -23.571 1.00 0.00 C ATOM 1641 C LYS A 105 -2.271 23.514 -23.126 1.00 0.00 C ATOM 1642 O LYS A 105 -3.111 22.943 -22.431 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.390 25.684 -22.581 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.653 26.271 -21.390 1.00 0.00 C ATOM 1645 CD LYS A 105 -2.246 25.193 -20.400 1.00 0.00 C ATOM 1646 CE LYS A 105 -1.468 25.777 -19.230 1.00 0.00 C ATOM 1647 NZ LYS A 105 -1.510 24.886 -18.037 1.00 0.00 N ATOM 0 H LYS A 105 -4.008 25.335 -24.951 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.506 25.454 -23.591 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.914 26.484 -23.103 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.148 24.988 -22.221 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.766 26.803 -21.736 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.289 27.003 -20.892 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.135 24.683 -20.029 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.637 24.444 -20.906 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.432 25.938 -19.527 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.880 26.752 -18.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.414 25.457 -17.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.416 24.377 -18.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.729 24.201 -18.088 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.147 22.929 -23.529 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.830 21.552 -23.169 1.00 0.00 C ATOM 1663 C VAL A 106 0.542 21.458 -22.512 1.00 0.00 C ATOM 1664 O VAL A 106 1.537 21.929 -23.061 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.862 20.629 -24.401 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.582 19.189 -23.996 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -2.201 20.739 -25.114 1.00 0.00 C ATOM 0 H VAL A 106 -0.441 23.387 -24.105 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.592 21.226 -22.460 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.081 20.946 -25.092 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.609 18.551 -24.879 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.403 19.126 -23.533 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.339 18.857 -23.286 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.206 20.080 -25.982 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.001 20.448 -24.433 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.357 21.768 -25.438 1.00 0.00 H new ATOM 1677 N GLU A 107 0.588 20.845 -21.333 1.00 0.00 N ATOM 1678 CA GLU A 107 1.839 20.689 -20.602 1.00 0.00 C ATOM 1679 C GLU A 107 1.991 19.263 -20.081 1.00 0.00 C ATOM 1680 O GLU A 107 1.009 18.609 -19.731 1.00 0.00 O ATOM 1681 CB GLU A 107 1.901 21.678 -19.436 1.00 0.00 C ATOM 1682 CG GLU A 107 2.411 23.054 -19.831 1.00 0.00 C ATOM 1683 CD GLU A 107 2.587 23.976 -18.640 1.00 0.00 C ATOM 1684 OE1 GLU A 107 3.153 23.526 -17.622 1.00 0.00 O ATOM 1685 OE2 GLU A 107 2.158 25.145 -18.726 1.00 0.00 O ATOM 0 H GLU A 107 -0.227 20.449 -20.864 1.00 0.00 H new ATOM 0 HA GLU A 107 2.659 20.896 -21.289 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.906 21.779 -19.003 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.547 21.270 -18.658 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.365 22.949 -20.348 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.714 23.507 -20.536 1.00 0.00 H new ATOM 1692 N THR A 108 3.231 18.785 -20.033 1.00 0.00 N ATOM 1693 CA THR A 108 3.513 17.437 -19.558 1.00 0.00 C ATOM 1694 C THR A 108 4.751 17.415 -18.669 1.00 0.00 C ATOM 1695 O THR A 108 5.700 18.167 -18.891 1.00 0.00 O ATOM 1696 CB THR A 108 3.721 16.460 -20.731 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.972 16.726 -21.374 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.590 16.579 -21.741 1.00 0.00 C ATOM 0 H THR A 108 4.056 19.313 -20.318 1.00 0.00 H new ATOM 0 HA THR A 108 2.647 17.119 -18.978 1.00 0.00 H new ATOM 0 HB THR A 108 3.726 15.445 -20.333 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.097 16.100 -22.117 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.759 15.880 -22.560 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.642 16.347 -21.255 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.558 17.596 -22.133 1.00 0.00 H new ATOM 1706 N ASP A 109 4.735 16.549 -17.661 1.00 0.00 N ATOM 1707 CA ASP A 109 5.857 16.429 -16.738 1.00 0.00 C ATOM 1708 C ASP A 109 6.527 15.065 -16.873 1.00 0.00 C ATOM 1709 O ASP A 109 5.867 14.028 -16.799 1.00 0.00 O ATOM 1710 CB ASP A 109 5.386 16.639 -15.298 1.00 0.00 C ATOM 1711 CG ASP A 109 6.517 17.045 -14.373 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.182 18.062 -14.661 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.737 16.346 -13.362 1.00 0.00 O ATOM 0 H ASP A 109 3.957 15.920 -17.463 1.00 0.00 H new ATOM 0 HA ASP A 109 6.586 17.199 -16.989 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.612 17.407 -15.280 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.931 15.719 -14.930 1.00 0.00 H new ATOM 1718 N MET A 110 7.841 15.074 -17.072 1.00 0.00 N ATOM 1719 CA MET A 110 8.600 13.837 -17.217 1.00 0.00 C ATOM 1720 C MET A 110 8.967 13.261 -15.853 1.00 0.00 C ATOM 1721 O MET A 110 8.820 13.926 -14.827 1.00 0.00 O ATOM 1722 CB MET A 110 9.868 14.084 -18.037 1.00 0.00 C ATOM 1723 CG MET A 110 10.399 12.838 -18.726 1.00 0.00 C ATOM 1724 SD MET A 110 11.388 11.805 -17.627 1.00 0.00 S ATOM 1725 CE MET A 110 12.879 12.788 -17.490 1.00 0.00 C ATOM 0 H MET A 110 8.402 15.923 -17.137 1.00 0.00 H new ATOM 0 HA MET A 110 7.973 13.115 -17.740 1.00 0.00 H new ATOM 0 HB2 MET A 110 9.662 14.845 -18.789 1.00 0.00 H new ATOM 0 HB3 MET A 110 10.642 14.485 -17.382 1.00 0.00 H new ATOM 0 HG2 MET A 110 9.562 12.255 -19.110 1.00 0.00 H new ATOM 0 HG3 MET A 110 11.004 13.132 -19.584 1.00 0.00 H new ATOM 0 HE1 MET A 110 13.702 12.156 -17.156 1.00 0.00 H new ATOM 0 HE2 MET A 110 13.123 13.217 -18.462 1.00 0.00 H new ATOM 0 HE3 MET A 110 12.721 13.590 -16.769 1.00 0.00 H new TER 1735 MET A 110