USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 872 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.141 (180deg=-0.145) USER MOD Single : A 3 SER OG : rot 49:sc= 0.979 USER MOD Single : A 4 SER OG : rot -17:sc= 0.318! USER MOD Single : A 5 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=-0.0079) USER MOD Single : A 6 HIS : no HE2:sc= -2 K(o=-2,f=-3.2!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.53) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.0374 K(o=-0.037,f=-2.6) USER MOD Single : A 11 HIS : no HE2:sc= 0.313 K(o=0.31,f=-4.9!) USER MOD Single : A 12 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.32) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.339 K(o=-0.34,f=-3!) USER MOD Single : A 20 SER OG : rot -31:sc= 0.0643! USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00901) USER MOD Single : A 23 LYS NZ :NH3+ 142:sc= 0.364 (180deg=0.00376) USER MOD Single : A 28 CYS SG : rot 39:sc= 0.262 USER MOD Single : A 34 THR OG1 : rot 92:sc= 0.995 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -38:sc= 0.769 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -2.36! C(o=-2.4!,f=-6.3!) USER MOD Single : A 58 CYS SG : rot 44:sc= -0.0221 USER MOD Single : A 61 ASN : amide:sc= 0.941 K(o=0.94,f=-0.42) USER MOD Single : A 65 THR OG1 : rot 75:sc= -0.195 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-2) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -2.14! K(o=-2.1!,f=-0.15) USER MOD Single : A 92 MET CE :methyl -167:sc= 0 (180deg=-0.11) USER MOD Single : A 96 SER OG : rot -90:sc= 2.22 USER MOD Single : A 104 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.93) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -105:sc= -0.227 USER MOD Single : A 112 GLN : amide:sc= -0.526 K(o=-0.53,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.012 21.207 1.317 1.00 0.00 N ATOM 2 CA MET A 1 15.218 21.595 0.528 1.00 0.00 C ATOM 3 C MET A 1 14.873 22.568 -0.603 1.00 0.00 C ATOM 4 O MET A 1 15.640 23.486 -0.893 1.00 0.00 O ATOM 5 CB MET A 1 15.877 20.331 -0.040 1.00 0.00 C ATOM 6 CG MET A 1 14.961 19.501 -0.926 1.00 0.00 C ATOM 7 SD MET A 1 14.555 17.897 -0.208 1.00 0.00 S ATOM 8 CE MET A 1 16.052 16.978 -0.557 1.00 0.00 C ATOM 0 H1 MET A 1 14.280 20.509 2.040 1.00 0.00 H new ATOM 0 H2 MET A 1 13.614 22.049 1.779 1.00 0.00 H new ATOM 0 H3 MET A 1 13.301 20.792 0.682 1.00 0.00 H new ATOM 0 HA MET A 1 15.911 22.109 1.194 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.757 20.619 -0.614 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.225 19.712 0.787 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.040 20.055 -1.108 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.439 19.350 -1.894 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.954 15.963 -0.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.215 16.944 -1.634 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.900 17.467 -0.077 1.00 0.00 H new ATOM 20 N GLY A 2 13.719 22.368 -1.239 1.00 0.00 N ATOM 21 CA GLY A 2 13.308 23.240 -2.323 1.00 0.00 C ATOM 22 C GLY A 2 12.255 22.603 -3.207 1.00 0.00 C ATOM 23 O GLY A 2 11.058 22.814 -3.008 1.00 0.00 O ATOM 0 H GLY A 2 13.064 21.617 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.918 24.170 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.177 23.499 -2.927 1.00 0.00 H new ATOM 27 N SER A 3 12.696 21.819 -4.184 1.00 0.00 N ATOM 28 CA SER A 3 11.778 21.151 -5.094 1.00 0.00 C ATOM 29 C SER A 3 12.517 20.170 -5.998 1.00 0.00 C ATOM 30 O SER A 3 13.640 20.429 -6.431 1.00 0.00 O ATOM 31 CB SER A 3 11.025 22.176 -5.942 1.00 0.00 C ATOM 32 OG SER A 3 9.763 22.480 -5.373 1.00 0.00 O ATOM 0 H SER A 3 13.682 21.632 -4.365 1.00 0.00 H new ATOM 0 HA SER A 3 11.061 20.591 -4.493 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.617 23.087 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.888 21.788 -6.951 1.00 0.00 H new ATOM 0 HG SER A 3 9.874 22.687 -4.422 1.00 0.00 H new ATOM 38 N SER A 4 11.874 19.042 -6.273 1.00 0.00 N ATOM 39 CA SER A 4 12.460 18.007 -7.123 1.00 0.00 C ATOM 40 C SER A 4 11.408 16.992 -7.581 1.00 0.00 C ATOM 41 O SER A 4 11.647 16.222 -8.512 1.00 0.00 O ATOM 42 CB SER A 4 13.586 17.288 -6.376 1.00 0.00 C ATOM 43 OG SER A 4 14.039 16.146 -7.088 1.00 0.00 O ATOM 0 H SER A 4 10.944 18.818 -5.920 1.00 0.00 H new ATOM 0 HA SER A 4 12.865 18.495 -8.009 1.00 0.00 H new ATOM 0 HB2 SER A 4 14.418 17.975 -6.222 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.234 16.987 -5.389 1.00 0.00 H new ATOM 0 HG SER A 4 13.374 15.897 -7.764 1.00 0.00 H new ATOM 49 N HIS A 5 10.248 16.986 -6.925 1.00 0.00 N ATOM 50 CA HIS A 5 9.180 16.059 -7.275 1.00 0.00 C ATOM 51 C HIS A 5 9.640 14.614 -7.110 1.00 0.00 C ATOM 52 O HIS A 5 10.772 14.355 -6.705 1.00 0.00 O ATOM 53 CB HIS A 5 8.716 16.301 -8.712 1.00 0.00 C ATOM 54 CG HIS A 5 7.847 17.510 -8.864 1.00 0.00 C ATOM 55 ND1 HIS A 5 7.978 18.405 -9.904 1.00 0.00 N ATOM 56 CD2 HIS A 5 6.826 17.971 -8.102 1.00 0.00 C ATOM 57 CE1 HIS A 5 7.080 19.364 -9.777 1.00 0.00 C ATOM 58 NE2 HIS A 5 6.366 19.124 -8.692 1.00 0.00 N ATOM 0 H HIS A 5 10.027 17.612 -6.151 1.00 0.00 H new ATOM 0 HA HIS A 5 8.343 16.234 -6.599 1.00 0.00 H new ATOM 0 HB2 HIS A 5 9.590 16.409 -9.354 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.170 15.425 -9.061 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.445 17.517 -7.199 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.951 20.202 -10.446 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.598 19.701 -8.348 1.00 0.00 H new ATOM 67 N HIS A 6 8.752 13.678 -7.427 1.00 0.00 N ATOM 68 CA HIS A 6 9.066 12.259 -7.312 1.00 0.00 C ATOM 69 C HIS A 6 10.183 11.870 -8.275 1.00 0.00 C ATOM 70 O HIS A 6 10.636 12.686 -9.079 1.00 0.00 O ATOM 71 CB HIS A 6 7.817 11.416 -7.589 1.00 0.00 C ATOM 72 CG HIS A 6 7.331 10.652 -6.395 1.00 0.00 C ATOM 73 ND1 HIS A 6 6.139 9.961 -6.378 1.00 0.00 N ATOM 74 CD2 HIS A 6 7.886 10.465 -5.174 1.00 0.00 C ATOM 75 CE1 HIS A 6 5.980 9.382 -5.201 1.00 0.00 C ATOM 76 NE2 HIS A 6 7.028 9.672 -4.452 1.00 0.00 N ATOM 0 H HIS A 6 7.810 13.876 -7.765 1.00 0.00 H new ATOM 0 HA HIS A 6 9.407 12.067 -6.295 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.019 12.069 -7.941 1.00 0.00 H new ATOM 0 HB3 HIS A 6 8.034 10.715 -8.395 1.00 0.00 H new ATOM 0 HD1 HIS A 6 5.480 9.905 -7.155 1.00 0.00 H new ATOM 0 HD2 HIS A 6 8.829 10.865 -4.831 1.00 0.00 H new ATOM 0 HE1 HIS A 6 5.137 8.776 -4.903 1.00 0.00 H new ATOM 85 N HIS A 7 10.624 10.620 -8.187 1.00 0.00 N ATOM 86 CA HIS A 7 11.689 10.122 -9.050 1.00 0.00 C ATOM 87 C HIS A 7 11.298 10.242 -10.520 1.00 0.00 C ATOM 88 O HIS A 7 10.730 9.316 -11.099 1.00 0.00 O ATOM 89 CB HIS A 7 12.007 8.665 -8.713 1.00 0.00 C ATOM 90 CG HIS A 7 12.857 8.504 -7.491 1.00 0.00 C ATOM 91 ND1 HIS A 7 13.643 7.394 -7.261 1.00 0.00 N ATOM 92 CD2 HIS A 7 13.045 9.321 -6.427 1.00 0.00 C ATOM 93 CE1 HIS A 7 14.275 7.534 -6.110 1.00 0.00 C ATOM 94 NE2 HIS A 7 13.930 8.694 -5.585 1.00 0.00 N ATOM 0 H HIS A 7 10.260 9.933 -7.527 1.00 0.00 H new ATOM 0 HA HIS A 7 12.577 10.730 -8.877 1.00 0.00 H new ATOM 0 HB2 HIS A 7 11.073 8.122 -8.570 1.00 0.00 H new ATOM 0 HB3 HIS A 7 12.515 8.207 -9.562 1.00 0.00 H new ATOM 0 HD2 HIS A 7 12.585 10.285 -6.270 1.00 0.00 H new ATOM 0 HE1 HIS A 7 14.958 6.820 -5.673 1.00 0.00 H new ATOM 0 HE2 HIS A 7 14.267 9.065 -4.697 1.00 0.00 H new ATOM 103 N HIS A 8 11.606 11.389 -11.118 1.00 0.00 N ATOM 104 CA HIS A 8 11.286 11.631 -12.521 1.00 0.00 C ATOM 105 C HIS A 8 9.793 11.455 -12.780 1.00 0.00 C ATOM 106 O HIS A 8 9.007 11.293 -11.846 1.00 0.00 O ATOM 107 CB HIS A 8 12.091 10.688 -13.420 1.00 0.00 C ATOM 108 CG HIS A 8 12.876 11.397 -14.479 1.00 0.00 C ATOM 109 ND1 HIS A 8 12.426 12.534 -15.116 1.00 0.00 N ATOM 110 CD2 HIS A 8 14.091 11.125 -15.015 1.00 0.00 C ATOM 111 CE1 HIS A 8 13.327 12.931 -15.997 1.00 0.00 C ATOM 112 NE2 HIS A 8 14.347 12.094 -15.954 1.00 0.00 N ATOM 0 H HIS A 8 12.077 12.165 -10.653 1.00 0.00 H new ATOM 0 HA HIS A 8 11.554 12.661 -12.756 1.00 0.00 H new ATOM 0 HB2 HIS A 8 12.774 10.105 -12.802 1.00 0.00 H new ATOM 0 HB3 HIS A 8 11.410 9.982 -13.895 1.00 0.00 H new ATOM 0 HD2 HIS A 8 14.737 10.300 -14.753 1.00 0.00 H new ATOM 0 HE1 HIS A 8 13.243 13.793 -16.642 1.00 0.00 H new ATOM 0 HE2 HIS A 8 15.189 12.157 -16.526 1.00 0.00 H new ATOM 121 N HIS A 9 9.408 11.487 -14.052 1.00 0.00 N ATOM 122 CA HIS A 9 8.007 11.331 -14.431 1.00 0.00 C ATOM 123 C HIS A 9 7.806 10.070 -15.265 1.00 0.00 C ATOM 124 O HIS A 9 8.576 9.791 -16.184 1.00 0.00 O ATOM 125 CB HIS A 9 7.530 12.554 -15.214 1.00 0.00 C ATOM 126 CG HIS A 9 7.631 13.835 -14.446 1.00 0.00 C ATOM 127 ND1 HIS A 9 6.589 14.356 -13.708 1.00 0.00 N ATOM 128 CD2 HIS A 9 8.660 14.705 -14.303 1.00 0.00 C ATOM 129 CE1 HIS A 9 6.969 15.489 -13.146 1.00 0.00 C ATOM 130 NE2 HIS A 9 8.223 15.722 -13.491 1.00 0.00 N ATOM 0 H HIS A 9 10.045 11.619 -14.837 1.00 0.00 H new ATOM 0 HA HIS A 9 7.418 11.239 -13.518 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.117 12.641 -16.128 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.493 12.401 -15.514 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.641 14.615 -14.745 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.360 16.117 -12.513 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.777 16.528 -13.201 1.00 0.00 H new ATOM 139 N HIS A 10 6.763 9.310 -14.939 1.00 0.00 N ATOM 140 CA HIS A 10 6.455 8.075 -15.656 1.00 0.00 C ATOM 141 C HIS A 10 7.697 7.200 -15.804 1.00 0.00 C ATOM 142 O HIS A 10 8.381 7.243 -16.827 1.00 0.00 O ATOM 143 CB HIS A 10 5.871 8.391 -17.034 1.00 0.00 C ATOM 144 CG HIS A 10 5.417 7.176 -17.782 1.00 0.00 C ATOM 145 ND1 HIS A 10 6.288 6.264 -18.339 1.00 0.00 N ATOM 146 CD2 HIS A 10 4.172 6.720 -18.062 1.00 0.00 C ATOM 147 CE1 HIS A 10 5.603 5.302 -18.929 1.00 0.00 C ATOM 148 NE2 HIS A 10 4.316 5.554 -18.775 1.00 0.00 N ATOM 0 H HIS A 10 6.116 9.528 -14.181 1.00 0.00 H new ATOM 0 HA HIS A 10 5.716 7.525 -15.073 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.028 9.071 -16.915 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.621 8.914 -17.627 1.00 0.00 H new ATOM 0 HD1 HIS A 10 7.306 6.323 -18.301 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.240 7.186 -17.778 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.023 4.454 -19.449 1.00 0.00 H new ATOM 157 N HIS A 11 7.982 6.409 -14.776 1.00 0.00 N ATOM 158 CA HIS A 11 9.143 5.526 -14.786 1.00 0.00 C ATOM 159 C HIS A 11 8.863 4.262 -15.595 1.00 0.00 C ATOM 160 O HIS A 11 7.826 4.146 -16.248 1.00 0.00 O ATOM 161 CB HIS A 11 9.533 5.156 -13.354 1.00 0.00 C ATOM 162 CG HIS A 11 8.385 4.665 -12.529 1.00 0.00 C ATOM 163 ND1 HIS A 11 7.599 3.593 -12.896 1.00 0.00 N ATOM 164 CD2 HIS A 11 7.889 5.104 -11.348 1.00 0.00 C ATOM 165 CE1 HIS A 11 6.670 3.395 -11.979 1.00 0.00 C ATOM 166 NE2 HIS A 11 6.824 4.297 -11.028 1.00 0.00 N ATOM 0 H HIS A 11 7.424 6.361 -13.923 1.00 0.00 H new ATOM 0 HA HIS A 11 9.970 6.056 -15.258 1.00 0.00 H new ATOM 0 HB2 HIS A 11 10.304 4.386 -13.384 1.00 0.00 H new ATOM 0 HB3 HIS A 11 9.972 6.028 -12.869 1.00 0.00 H new ATOM 0 HD1 HIS A 11 7.717 3.039 -13.744 1.00 0.00 H new ATOM 0 HD2 HIS A 11 8.261 5.934 -10.766 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.913 2.625 -12.003 1.00 0.00 H new ATOM 175 N HIS A 12 9.800 3.318 -15.549 1.00 0.00 N ATOM 176 CA HIS A 12 9.661 2.061 -16.276 1.00 0.00 C ATOM 177 C HIS A 12 8.748 1.094 -15.524 1.00 0.00 C ATOM 178 O HIS A 12 8.062 1.482 -14.578 1.00 0.00 O ATOM 179 CB HIS A 12 11.038 1.429 -16.494 1.00 0.00 C ATOM 180 CG HIS A 12 11.526 1.533 -17.906 1.00 0.00 C ATOM 181 ND1 HIS A 12 10.711 1.344 -19.001 1.00 0.00 N ATOM 182 CD2 HIS A 12 12.756 1.811 -18.400 1.00 0.00 C ATOM 183 CE1 HIS A 12 11.415 1.499 -20.108 1.00 0.00 C ATOM 184 NE2 HIS A 12 12.659 1.785 -19.770 1.00 0.00 N ATOM 0 H HIS A 12 10.665 3.401 -15.015 1.00 0.00 H new ATOM 0 HA HIS A 12 9.207 2.271 -17.245 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.759 1.910 -15.833 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.996 0.378 -16.209 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.647 2.015 -17.824 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.038 1.408 -21.116 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.425 1.959 -20.421 1.00 0.00 H new ATOM 193 N GLU A 13 8.744 -0.167 -15.951 1.00 0.00 N ATOM 194 CA GLU A 13 7.915 -1.188 -15.320 1.00 0.00 C ATOM 195 C GLU A 13 6.434 -0.887 -15.519 1.00 0.00 C ATOM 196 O GLU A 13 5.870 -0.023 -14.848 1.00 0.00 O ATOM 197 CB GLU A 13 8.230 -1.288 -13.825 1.00 0.00 C ATOM 198 CG GLU A 13 9.718 -1.319 -13.517 1.00 0.00 C ATOM 199 CD GLU A 13 10.383 -2.602 -13.977 1.00 0.00 C ATOM 200 OE1 GLU A 13 10.333 -3.599 -13.227 1.00 0.00 O ATOM 201 OE2 GLU A 13 10.952 -2.609 -15.089 1.00 0.00 O ATOM 0 H GLU A 13 9.306 -0.505 -16.732 1.00 0.00 H new ATOM 0 HA GLU A 13 8.142 -2.143 -15.794 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.778 -0.440 -13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.766 -2.189 -13.424 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.203 -0.470 -13.999 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.865 -1.203 -12.443 1.00 0.00 H new ATOM 208 N ASN A 14 5.809 -1.603 -16.447 1.00 0.00 N ATOM 209 CA ASN A 14 4.393 -1.409 -16.736 1.00 0.00 C ATOM 210 C ASN A 14 3.519 -2.070 -15.673 1.00 0.00 C ATOM 211 O ASN A 14 2.967 -1.396 -14.803 1.00 0.00 O ATOM 212 CB ASN A 14 4.050 -1.966 -18.119 1.00 0.00 C ATOM 213 CG ASN A 14 4.694 -1.169 -19.236 1.00 0.00 C ATOM 214 OD1 ASN A 14 5.847 -1.405 -19.599 1.00 0.00 O ATOM 215 ND2 ASN A 14 3.951 -0.217 -19.790 1.00 0.00 N ATOM 0 H ASN A 14 6.260 -2.323 -17.012 1.00 0.00 H new ATOM 0 HA ASN A 14 4.192 -0.338 -16.725 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.377 -3.004 -18.181 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.968 -1.964 -18.251 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.332 0.352 -20.547 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.000 -0.055 -19.459 1.00 0.00 H new ATOM 222 N LEU A 15 3.395 -3.392 -15.752 1.00 0.00 N ATOM 223 CA LEU A 15 2.583 -4.139 -14.798 1.00 0.00 C ATOM 224 C LEU A 15 3.369 -5.304 -14.200 1.00 0.00 C ATOM 225 O LEU A 15 3.154 -6.461 -14.563 1.00 0.00 O ATOM 226 CB LEU A 15 1.311 -4.653 -15.476 1.00 0.00 C ATOM 227 CG LEU A 15 0.376 -3.560 -16.008 1.00 0.00 C ATOM 228 CD1 LEU A 15 0.133 -3.732 -17.500 1.00 0.00 C ATOM 229 CD2 LEU A 15 -0.942 -3.566 -15.248 1.00 0.00 C ATOM 0 H LEU A 15 3.845 -3.966 -16.465 1.00 0.00 H new ATOM 0 HA LEU A 15 2.307 -3.465 -13.987 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.595 -5.302 -16.304 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.760 -5.267 -14.764 1.00 0.00 H new ATOM 0 HG LEU A 15 0.860 -2.596 -15.852 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.533 -2.945 -17.853 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.082 -3.671 -18.033 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.324 -4.704 -17.684 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.592 -2.784 -15.640 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.427 -4.535 -15.369 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.753 -3.384 -14.190 1.00 0.00 H new ATOM 241 N TYR A 16 4.276 -4.989 -13.280 1.00 0.00 N ATOM 242 CA TYR A 16 5.092 -6.009 -12.628 1.00 0.00 C ATOM 243 C TYR A 16 5.206 -5.759 -11.124 1.00 0.00 C ATOM 244 O TYR A 16 5.946 -6.457 -10.430 1.00 0.00 O ATOM 245 CB TYR A 16 6.486 -6.050 -13.250 1.00 0.00 C ATOM 246 CG TYR A 16 6.488 -6.432 -14.711 1.00 0.00 C ATOM 247 CD1 TYR A 16 5.773 -7.535 -15.160 1.00 0.00 C ATOM 248 CD2 TYR A 16 7.203 -5.689 -15.641 1.00 0.00 C ATOM 249 CE1 TYR A 16 5.772 -7.888 -16.495 1.00 0.00 C ATOM 250 CE2 TYR A 16 7.206 -6.035 -16.978 1.00 0.00 C ATOM 251 CZ TYR A 16 6.488 -7.134 -17.401 1.00 0.00 C ATOM 252 OH TYR A 16 6.489 -7.481 -18.731 1.00 0.00 O ATOM 0 H TYR A 16 4.465 -4.036 -12.969 1.00 0.00 H new ATOM 0 HA TYR A 16 4.599 -6.970 -12.777 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.953 -5.071 -13.139 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.100 -6.761 -12.697 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.209 -8.126 -14.454 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.766 -4.827 -15.314 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.213 -8.750 -16.828 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.768 -5.448 -17.689 1.00 0.00 H new ATOM 0 HH TYR A 16 7.041 -6.847 -19.234 1.00 0.00 H new ATOM 262 N PHE A 17 4.470 -4.769 -10.621 1.00 0.00 N ATOM 263 CA PHE A 17 4.497 -4.448 -9.202 1.00 0.00 C ATOM 264 C PHE A 17 5.901 -4.035 -8.762 1.00 0.00 C ATOM 265 O PHE A 17 6.239 -4.122 -7.582 1.00 0.00 O ATOM 266 CB PHE A 17 4.023 -5.650 -8.377 1.00 0.00 C ATOM 267 CG PHE A 17 2.611 -6.093 -8.674 1.00 0.00 C ATOM 268 CD1 PHE A 17 2.207 -6.377 -9.972 1.00 0.00 C ATOM 269 CD2 PHE A 17 1.689 -6.232 -7.649 1.00 0.00 C ATOM 270 CE1 PHE A 17 0.916 -6.790 -10.238 1.00 0.00 C ATOM 271 CE2 PHE A 17 0.395 -6.644 -7.912 1.00 0.00 C ATOM 272 CZ PHE A 17 0.009 -6.924 -9.208 1.00 0.00 C ATOM 0 H PHE A 17 3.850 -4.179 -11.176 1.00 0.00 H new ATOM 0 HA PHE A 17 3.822 -3.609 -9.032 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.698 -6.487 -8.556 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.097 -5.401 -7.319 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.911 -6.274 -10.784 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.984 -6.016 -6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.617 -7.008 -11.253 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.314 -6.747 -7.104 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.001 -7.247 -9.414 1.00 0.00 H new ATOM 282 N GLN A 18 6.716 -3.581 -9.716 1.00 0.00 N ATOM 283 CA GLN A 18 8.079 -3.152 -9.415 1.00 0.00 C ATOM 284 C GLN A 18 8.119 -1.678 -9.006 1.00 0.00 C ATOM 285 O GLN A 18 9.185 -1.065 -8.977 1.00 0.00 O ATOM 286 CB GLN A 18 8.991 -3.374 -10.626 1.00 0.00 C ATOM 287 CG GLN A 18 9.285 -4.839 -10.914 1.00 0.00 C ATOM 288 CD GLN A 18 10.728 -5.216 -10.633 1.00 0.00 C ATOM 289 OE1 GLN A 18 11.559 -4.361 -10.327 1.00 0.00 O ATOM 290 NE2 GLN A 18 11.033 -6.504 -10.740 1.00 0.00 N ATOM 0 H GLN A 18 6.455 -3.502 -10.699 1.00 0.00 H new ATOM 0 HA GLN A 18 8.437 -3.753 -8.579 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.527 -2.927 -11.505 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.932 -2.850 -10.461 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.627 -5.463 -10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.055 -5.052 -11.958 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.313 -7.179 -10.996 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.988 -6.818 -10.566 1.00 0.00 H new ATOM 299 N GLY A 19 6.954 -1.115 -8.690 1.00 0.00 N ATOM 300 CA GLY A 19 6.887 0.276 -8.288 1.00 0.00 C ATOM 301 C GLY A 19 5.614 0.590 -7.529 1.00 0.00 C ATOM 302 O GLY A 19 4.800 1.400 -7.974 1.00 0.00 O ATOM 0 H GLY A 19 6.057 -1.600 -8.706 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.748 0.514 -7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.948 0.911 -9.172 1.00 0.00 H new ATOM 306 N SER A 20 5.440 -0.057 -6.382 1.00 0.00 N ATOM 307 CA SER A 20 4.257 0.152 -5.558 1.00 0.00 C ATOM 308 C SER A 20 4.481 -0.376 -4.144 1.00 0.00 C ATOM 309 O SER A 20 5.429 -1.121 -3.892 1.00 0.00 O ATOM 310 CB SER A 20 3.044 -0.538 -6.185 1.00 0.00 C ATOM 311 OG SER A 20 2.985 -0.301 -7.581 1.00 0.00 O ATOM 0 H SER A 20 6.104 -0.731 -6.002 1.00 0.00 H new ATOM 0 HA SER A 20 4.068 1.224 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.095 -1.611 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.131 -0.175 -5.713 1.00 0.00 H new ATOM 0 HG SER A 20 3.372 0.577 -7.780 1.00 0.00 H new ATOM 317 N LYS A 21 3.602 0.014 -3.230 1.00 0.00 N ATOM 318 CA LYS A 21 3.700 -0.422 -1.843 1.00 0.00 C ATOM 319 C LYS A 21 2.386 -1.037 -1.378 1.00 0.00 C ATOM 320 O LYS A 21 2.360 -2.148 -0.848 1.00 0.00 O ATOM 321 CB LYS A 21 4.065 0.757 -0.935 1.00 0.00 C ATOM 322 CG LYS A 21 5.220 1.597 -1.457 1.00 0.00 C ATOM 323 CD LYS A 21 6.402 1.577 -0.501 1.00 0.00 C ATOM 324 CE LYS A 21 7.251 0.331 -0.691 1.00 0.00 C ATOM 325 NZ LYS A 21 6.953 -0.707 0.333 1.00 0.00 N ATOM 0 H LYS A 21 2.813 0.631 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 21 4.484 -1.176 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.190 1.395 -0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.322 0.377 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.533 1.222 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.887 2.624 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.015 2.464 -0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.041 1.619 0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.075 -0.079 -1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.306 0.600 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.577 -1.526 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.112 -0.314 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.961 -1.007 0.245 1.00 0.00 H new ATOM 339 N ARG A 22 1.299 -0.298 -1.568 1.00 0.00 N ATOM 340 CA ARG A 22 -0.021 -0.756 -1.156 1.00 0.00 C ATOM 341 C ARG A 22 -1.041 -0.587 -2.281 1.00 0.00 C ATOM 342 O ARG A 22 -0.866 0.247 -3.169 1.00 0.00 O ATOM 343 CB ARG A 22 -0.466 0.030 0.078 1.00 0.00 C ATOM 344 CG ARG A 22 0.542 -0.012 1.215 1.00 0.00 C ATOM 345 CD ARG A 22 0.850 1.379 1.742 1.00 0.00 C ATOM 346 NE ARG A 22 -0.301 1.971 2.421 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.220 2.693 3.537 1.00 0.00 C ATOM 348 NH1 ARG A 22 0.955 2.929 4.106 1.00 0.00 N ATOM 349 NH2 ARG A 22 -1.322 3.187 4.084 1.00 0.00 N ATOM 0 H ARG A 22 1.307 0.623 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 22 0.038 -1.818 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.641 1.068 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.417 -0.369 0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.153 -0.630 2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.462 -0.482 0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.692 1.328 2.432 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.154 2.021 0.916 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.224 1.822 2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.808 2.556 3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.006 3.483 4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.229 3.014 3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.263 3.740 4.939 1.00 0.00 H new ATOM 363 N LYS A 23 -2.109 -1.384 -2.240 1.00 0.00 N ATOM 364 CA LYS A 23 -3.155 -1.314 -3.259 1.00 0.00 C ATOM 365 C LYS A 23 -4.536 -1.199 -2.615 1.00 0.00 C ATOM 366 O LYS A 23 -5.005 -2.129 -1.962 1.00 0.00 O ATOM 367 CB LYS A 23 -3.096 -2.545 -4.165 1.00 0.00 C ATOM 368 CG LYS A 23 -1.690 -2.897 -4.622 1.00 0.00 C ATOM 369 CD LYS A 23 -1.699 -3.583 -5.978 1.00 0.00 C ATOM 370 CE LYS A 23 -0.369 -3.418 -6.698 1.00 0.00 C ATOM 371 NZ LYS A 23 -0.530 -3.438 -8.179 1.00 0.00 N ATOM 0 H LYS A 23 -2.272 -2.083 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.983 -0.423 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.521 -3.397 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.721 -2.371 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.087 -1.991 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.220 -3.550 -3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.914 -4.644 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.499 -3.168 -6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.092 -2.478 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.308 -4.217 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.120 -2.749 -8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.313 -4.389 -8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.509 -3.189 -8.425 1.00 0.00 H new ATOM 385 N ILE A 24 -5.180 -0.046 -2.797 1.00 0.00 N ATOM 386 CA ILE A 24 -6.505 0.188 -2.223 1.00 0.00 C ATOM 387 C ILE A 24 -7.606 0.010 -3.263 1.00 0.00 C ATOM 388 O ILE A 24 -7.400 0.294 -4.442 1.00 0.00 O ATOM 389 CB ILE A 24 -6.614 1.604 -1.619 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.339 1.959 -0.852 1.00 0.00 C ATOM 391 CG2 ILE A 24 -7.834 1.703 -0.712 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.351 3.356 -0.269 1.00 0.00 C ATOM 0 H ILE A 24 -4.808 0.737 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.636 -0.552 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.733 2.320 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.198 1.239 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.484 1.861 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.896 2.708 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.735 1.494 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.745 0.978 0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.416 3.537 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.460 4.085 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.186 3.453 0.425 1.00 0.00 H new ATOM 404 N ILE A 25 -8.787 -0.439 -2.824 1.00 0.00 N ATOM 405 CA ILE A 25 -9.922 -0.629 -3.725 1.00 0.00 C ATOM 406 C ILE A 25 -11.058 0.314 -3.375 1.00 0.00 C ATOM 407 O ILE A 25 -11.296 0.603 -2.205 1.00 0.00 O ATOM 408 CB ILE A 25 -10.508 -2.057 -3.694 1.00 0.00 C ATOM 409 CG1 ILE A 25 -9.437 -3.109 -3.406 1.00 0.00 C ATOM 410 CG2 ILE A 25 -11.221 -2.356 -5.007 1.00 0.00 C ATOM 411 CD1 ILE A 25 -9.994 -4.515 -3.345 1.00 0.00 C ATOM 0 H ILE A 25 -8.979 -0.677 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.519 -0.430 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.229 -2.105 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.670 -3.061 -4.179 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.950 -2.875 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.631 -3.365 -4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.030 -1.640 -5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.513 -2.277 -5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.187 -5.217 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.741 -4.576 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.456 -4.765 -4.300 1.00 0.00 H new ATOM 423 N VAL A 26 -11.779 0.766 -4.388 1.00 0.00 N ATOM 424 CA VAL A 26 -12.922 1.646 -4.162 1.00 0.00 C ATOM 425 C VAL A 26 -14.185 1.061 -4.786 1.00 0.00 C ATOM 426 O VAL A 26 -14.280 0.927 -6.007 1.00 0.00 O ATOM 427 CB VAL A 26 -12.686 3.060 -4.722 1.00 0.00 C ATOM 428 CG1 VAL A 26 -13.865 3.966 -4.399 1.00 0.00 C ATOM 429 CG2 VAL A 26 -11.396 3.641 -4.167 1.00 0.00 C ATOM 0 H VAL A 26 -11.599 0.543 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.048 1.725 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.595 2.992 -5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.680 4.961 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.771 3.556 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.989 4.030 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.243 4.641 -4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.460 3.696 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.558 3.003 -4.450 1.00 0.00 H new ATOM 439 N ALA A 27 -15.152 0.705 -3.943 1.00 0.00 N ATOM 440 CA ALA A 27 -16.399 0.129 -4.427 1.00 0.00 C ATOM 441 C ALA A 27 -17.583 1.045 -4.161 1.00 0.00 C ATOM 442 O ALA A 27 -17.846 1.430 -3.021 1.00 0.00 O ATOM 443 CB ALA A 27 -16.633 -1.235 -3.795 1.00 0.00 C ATOM 0 H ALA A 27 -15.095 0.805 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.310 0.010 -5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.569 -1.652 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.810 -1.902 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.688 -1.129 -2.712 1.00 0.00 H new ATOM 449 N CYS A 28 -18.288 1.394 -5.228 1.00 0.00 N ATOM 450 CA CYS A 28 -19.445 2.274 -5.124 1.00 0.00 C ATOM 451 C CYS A 28 -20.325 2.167 -6.365 1.00 0.00 C ATOM 452 O CYS A 28 -19.857 1.786 -7.438 1.00 0.00 O ATOM 453 CB CYS A 28 -18.991 3.723 -4.931 1.00 0.00 C ATOM 454 SG CYS A 28 -18.956 4.262 -3.205 1.00 0.00 S ATOM 0 H CYS A 28 -18.079 1.081 -6.176 1.00 0.00 H new ATOM 0 HA CYS A 28 -20.030 1.963 -4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.995 3.840 -5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.657 4.379 -5.492 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.528 3.290 -2.455 1.00 0.00 H new ATOM 460 N GLY A 29 -21.599 2.509 -6.210 1.00 0.00 N ATOM 461 CA GLY A 29 -22.522 2.448 -7.326 1.00 0.00 C ATOM 462 C GLY A 29 -22.640 3.776 -8.047 1.00 0.00 C ATOM 463 O GLY A 29 -22.964 4.795 -7.437 1.00 0.00 O ATOM 0 H GLY A 29 -22.008 2.827 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -22.189 1.684 -8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -23.505 2.144 -6.966 1.00 0.00 H new ATOM 467 N GLY A 30 -22.376 3.766 -9.349 1.00 0.00 N ATOM 468 CA GLY A 30 -22.462 4.985 -10.131 1.00 0.00 C ATOM 469 C GLY A 30 -21.399 5.997 -9.748 1.00 0.00 C ATOM 470 O GLY A 30 -20.359 5.637 -9.196 1.00 0.00 O ATOM 0 H GLY A 30 -22.104 2.936 -9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -22.363 4.742 -11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -23.448 5.430 -9.997 1.00 0.00 H new ATOM 474 N ALA A 31 -21.662 7.267 -10.043 1.00 0.00 N ATOM 475 CA ALA A 31 -20.721 8.336 -9.730 1.00 0.00 C ATOM 476 C ALA A 31 -21.447 9.567 -9.195 1.00 0.00 C ATOM 477 O ALA A 31 -21.474 9.809 -7.988 1.00 0.00 O ATOM 478 CB ALA A 31 -19.902 8.694 -10.961 1.00 0.00 C ATOM 0 H ALA A 31 -22.519 7.580 -10.498 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.047 7.979 -8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.204 9.493 -10.713 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.347 7.818 -11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -20.568 9.028 -11.757 1.00 0.00 H new ATOM 484 N VAL A 32 -22.033 10.344 -10.104 1.00 0.00 N ATOM 485 CA VAL A 32 -22.762 11.553 -9.728 1.00 0.00 C ATOM 486 C VAL A 32 -21.960 12.400 -8.739 1.00 0.00 C ATOM 487 O VAL A 32 -22.458 12.776 -7.679 1.00 0.00 O ATOM 488 CB VAL A 32 -24.131 11.207 -9.111 1.00 0.00 C ATOM 489 CG1 VAL A 32 -24.949 12.469 -8.879 1.00 0.00 C ATOM 490 CG2 VAL A 32 -24.882 10.225 -10.001 1.00 0.00 C ATOM 0 H VAL A 32 -22.017 10.157 -11.107 1.00 0.00 H new ATOM 0 HA VAL A 32 -22.918 12.129 -10.640 1.00 0.00 H new ATOM 0 HB VAL A 32 -23.966 10.732 -8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -25.912 12.203 -8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -24.413 13.130 -8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -25.109 12.979 -9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -25.847 9.991 -9.551 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -25.038 10.670 -10.983 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -24.299 9.310 -10.106 1.00 0.00 H new ATOM 500 N ALA A 33 -20.711 12.690 -9.096 1.00 0.00 N ATOM 501 CA ALA A 33 -19.835 13.486 -8.243 1.00 0.00 C ATOM 502 C ALA A 33 -19.493 12.735 -6.959 1.00 0.00 C ATOM 503 O ALA A 33 -19.613 13.276 -5.859 1.00 0.00 O ATOM 504 CB ALA A 33 -20.484 14.825 -7.921 1.00 0.00 C ATOM 0 H ALA A 33 -20.284 12.385 -9.971 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.907 13.669 -8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -19.819 15.408 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -20.671 15.371 -8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -21.428 14.657 -7.402 1.00 0.00 H new ATOM 510 N THR A 34 -19.062 11.485 -7.107 1.00 0.00 N ATOM 511 CA THR A 34 -18.697 10.657 -5.961 1.00 0.00 C ATOM 512 C THR A 34 -17.491 9.782 -6.284 1.00 0.00 C ATOM 513 O THR A 34 -16.525 9.733 -5.521 1.00 0.00 O ATOM 514 CB THR A 34 -19.874 9.771 -5.536 1.00 0.00 C ATOM 515 OG1 THR A 34 -21.067 10.527 -5.427 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.651 9.079 -4.208 1.00 0.00 C ATOM 0 H THR A 34 -18.957 11.023 -8.010 1.00 0.00 H new ATOM 0 HA THR A 34 -18.438 11.325 -5.139 1.00 0.00 H new ATOM 0 HB THR A 34 -19.958 9.016 -6.317 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.551 10.499 -6.279 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.521 8.468 -3.966 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.768 8.444 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.504 9.826 -3.428 1.00 0.00 H new ATOM 524 N SER A 35 -17.556 9.086 -7.415 1.00 0.00 N ATOM 525 CA SER A 35 -16.472 8.205 -7.836 1.00 0.00 C ATOM 526 C SER A 35 -15.235 9.000 -8.238 1.00 0.00 C ATOM 527 O SER A 35 -14.153 8.805 -7.686 1.00 0.00 O ATOM 528 CB SER A 35 -16.924 7.325 -9.004 1.00 0.00 C ATOM 529 OG SER A 35 -15.862 6.514 -9.475 1.00 0.00 O ATOM 0 H SER A 35 -18.348 9.115 -8.057 1.00 0.00 H new ATOM 0 HA SER A 35 -16.211 7.572 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.754 6.694 -8.687 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.293 7.953 -9.815 1.00 0.00 H new ATOM 0 HG SER A 35 -16.178 5.961 -10.220 1.00 0.00 H new ATOM 535 N THR A 36 -15.401 9.896 -9.204 1.00 0.00 N ATOM 536 CA THR A 36 -14.292 10.717 -9.676 1.00 0.00 C ATOM 537 C THR A 36 -13.753 11.597 -8.553 1.00 0.00 C ATOM 538 O THR A 36 -12.549 11.839 -8.462 1.00 0.00 O ATOM 539 CB THR A 36 -14.732 11.585 -10.856 1.00 0.00 C ATOM 540 OG1 THR A 36 -13.611 12.183 -11.481 1.00 0.00 O ATOM 541 CG2 THR A 36 -15.686 12.695 -10.467 1.00 0.00 C ATOM 0 H THR A 36 -16.289 10.072 -9.674 1.00 0.00 H new ATOM 0 HA THR A 36 -13.496 10.050 -10.007 1.00 0.00 H new ATOM 0 HB THR A 36 -15.251 10.907 -11.533 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.911 12.733 -12.234 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.956 13.270 -11.353 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.585 12.264 -10.026 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.205 13.351 -9.742 1.00 0.00 H new ATOM 549 N MET A 37 -14.653 12.072 -7.699 1.00 0.00 N ATOM 550 CA MET A 37 -14.266 12.923 -6.585 1.00 0.00 C ATOM 551 C MET A 37 -13.309 12.193 -5.654 1.00 0.00 C ATOM 552 O MET A 37 -12.222 12.688 -5.362 1.00 0.00 O ATOM 553 CB MET A 37 -15.498 13.390 -5.807 1.00 0.00 C ATOM 554 CG MET A 37 -15.305 14.739 -5.133 1.00 0.00 C ATOM 555 SD MET A 37 -16.451 15.012 -3.769 1.00 0.00 S ATOM 556 CE MET A 37 -15.471 16.080 -2.718 1.00 0.00 C ATOM 0 H MET A 37 -15.653 11.881 -7.758 1.00 0.00 H new ATOM 0 HA MET A 37 -13.757 13.797 -6.992 1.00 0.00 H new ATOM 0 HB2 MET A 37 -16.348 13.449 -6.487 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.746 12.645 -5.051 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.283 14.811 -4.762 1.00 0.00 H new ATOM 0 HG3 MET A 37 -15.432 15.530 -5.872 1.00 0.00 H new ATOM 0 HE1 MET A 37 -16.044 16.339 -1.827 1.00 0.00 H new ATOM 0 HE2 MET A 37 -14.558 15.563 -2.424 1.00 0.00 H new ATOM 0 HE3 MET A 37 -15.214 16.989 -3.262 1.00 0.00 H new ATOM 566 N ALA A 38 -13.715 11.014 -5.192 1.00 0.00 N ATOM 567 CA ALA A 38 -12.888 10.221 -4.292 1.00 0.00 C ATOM 568 C ALA A 38 -11.575 9.834 -4.954 1.00 0.00 C ATOM 569 O ALA A 38 -10.499 10.166 -4.461 1.00 0.00 O ATOM 570 CB ALA A 38 -13.639 8.975 -3.847 1.00 0.00 C ATOM 0 H ALA A 38 -14.612 10.588 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.661 10.830 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.010 8.391 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.552 9.266 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.894 8.373 -4.719 1.00 0.00 H new ATOM 576 N ALA A 39 -11.671 9.134 -6.079 1.00 0.00 N ATOM 577 CA ALA A 39 -10.491 8.693 -6.816 1.00 0.00 C ATOM 578 C ALA A 39 -9.499 9.836 -7.011 1.00 0.00 C ATOM 579 O ALA A 39 -8.330 9.724 -6.644 1.00 0.00 O ATOM 580 CB ALA A 39 -10.897 8.106 -8.158 1.00 0.00 C ATOM 0 H ALA A 39 -12.557 8.859 -6.502 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.996 7.920 -6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.007 7.781 -8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.556 7.253 -7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.420 8.863 -8.743 1.00 0.00 H new ATOM 586 N GLU A 40 -9.974 10.935 -7.585 1.00 0.00 N ATOM 587 CA GLU A 40 -9.125 12.097 -7.822 1.00 0.00 C ATOM 588 C GLU A 40 -8.587 12.652 -6.506 1.00 0.00 C ATOM 589 O GLU A 40 -7.460 13.142 -6.443 1.00 0.00 O ATOM 590 CB GLU A 40 -9.903 13.177 -8.574 1.00 0.00 C ATOM 591 CG GLU A 40 -9.079 14.414 -8.895 1.00 0.00 C ATOM 592 CD GLU A 40 -8.893 14.625 -10.386 1.00 0.00 C ATOM 593 OE1 GLU A 40 -9.783 15.234 -11.016 1.00 0.00 O ATOM 594 OE2 GLU A 40 -7.856 14.183 -10.923 1.00 0.00 O ATOM 0 H GLU A 40 -10.940 11.046 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.278 11.784 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.286 12.755 -9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.767 13.472 -7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.565 15.290 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.102 14.327 -8.420 1.00 0.00 H new ATOM 601 N GLU A 41 -9.399 12.570 -5.452 1.00 0.00 N ATOM 602 CA GLU A 41 -8.994 13.062 -4.138 1.00 0.00 C ATOM 603 C GLU A 41 -7.858 12.219 -3.566 1.00 0.00 C ATOM 604 O GLU A 41 -6.816 12.746 -3.178 1.00 0.00 O ATOM 605 CB GLU A 41 -10.181 13.057 -3.168 1.00 0.00 C ATOM 606 CG GLU A 41 -10.426 14.397 -2.493 1.00 0.00 C ATOM 607 CD GLU A 41 -10.199 14.346 -0.994 1.00 0.00 C ATOM 608 OE1 GLU A 41 -9.240 13.671 -0.563 1.00 0.00 O ATOM 609 OE2 GLU A 41 -10.980 14.979 -0.254 1.00 0.00 O ATOM 0 H GLU A 41 -10.336 12.169 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.642 14.086 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.080 12.764 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.009 12.301 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.767 15.146 -2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.449 14.718 -2.691 1.00 0.00 H new ATOM 616 N ILE A 42 -8.062 10.907 -3.512 1.00 0.00 N ATOM 617 CA ILE A 42 -7.040 10.010 -2.982 1.00 0.00 C ATOM 618 C ILE A 42 -5.793 10.030 -3.862 1.00 0.00 C ATOM 619 O ILE A 42 -4.671 9.933 -3.366 1.00 0.00 O ATOM 620 CB ILE A 42 -7.526 8.546 -2.851 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.039 8.464 -2.607 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.775 7.853 -1.726 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.547 9.416 -1.543 1.00 0.00 C ATOM 0 H ILE A 42 -8.916 10.444 -3.825 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.810 10.381 -1.983 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.320 8.041 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.559 8.671 -3.542 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.295 7.444 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.121 6.823 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.707 7.860 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.958 8.378 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.625 9.296 -1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.057 9.196 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.325 10.442 -1.837 1.00 0.00 H new ATOM 635 N LYS A 43 -5.997 10.154 -5.169 1.00 0.00 N ATOM 636 CA LYS A 43 -4.884 10.184 -6.114 1.00 0.00 C ATOM 637 C LYS A 43 -3.895 11.289 -5.756 1.00 0.00 C ATOM 638 O LYS A 43 -2.714 11.030 -5.534 1.00 0.00 O ATOM 639 CB LYS A 43 -5.393 10.382 -7.543 1.00 0.00 C ATOM 640 CG LYS A 43 -4.304 10.259 -8.599 1.00 0.00 C ATOM 641 CD LYS A 43 -4.154 8.825 -9.084 1.00 0.00 C ATOM 642 CE LYS A 43 -3.423 7.962 -8.067 1.00 0.00 C ATOM 643 NZ LYS A 43 -2.279 7.226 -8.675 1.00 0.00 N ATOM 0 H LYS A 43 -6.919 10.235 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.370 9.225 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.171 9.647 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.855 11.366 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.540 10.906 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.356 10.605 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.139 8.402 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.610 8.815 -10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.058 8.590 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.121 7.248 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.810 6.651 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.629 6.606 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.599 7.907 -9.070 1.00 0.00 H new ATOM 657 N GLU A 44 -4.381 12.522 -5.701 1.00 0.00 N ATOM 658 CA GLU A 44 -3.528 13.656 -5.367 1.00 0.00 C ATOM 659 C GLU A 44 -2.886 13.464 -3.996 1.00 0.00 C ATOM 660 O GLU A 44 -1.747 13.873 -3.774 1.00 0.00 O ATOM 661 CB GLU A 44 -4.327 14.962 -5.396 1.00 0.00 C ATOM 662 CG GLU A 44 -5.405 15.044 -4.327 1.00 0.00 C ATOM 663 CD GLU A 44 -6.052 16.413 -4.255 1.00 0.00 C ATOM 664 OE1 GLU A 44 -5.318 17.412 -4.103 1.00 0.00 O ATOM 665 OE2 GLU A 44 -7.297 16.487 -4.350 1.00 0.00 O ATOM 0 H GLU A 44 -5.356 12.762 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.738 13.715 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.641 15.800 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.791 15.072 -6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.170 14.295 -4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.970 14.801 -3.358 1.00 0.00 H new ATOM 672 N LEU A 45 -3.623 12.842 -3.078 1.00 0.00 N ATOM 673 CA LEU A 45 -3.120 12.604 -1.728 1.00 0.00 C ATOM 674 C LEU A 45 -1.850 11.752 -1.752 1.00 0.00 C ATOM 675 O LEU A 45 -0.786 12.199 -1.324 1.00 0.00 O ATOM 676 CB LEU A 45 -4.193 11.916 -0.876 1.00 0.00 C ATOM 677 CG LEU A 45 -4.716 12.738 0.308 1.00 0.00 C ATOM 678 CD1 LEU A 45 -5.716 11.927 1.119 1.00 0.00 C ATOM 679 CD2 LEU A 45 -3.568 13.198 1.195 1.00 0.00 C ATOM 0 H LEU A 45 -4.568 12.495 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.875 13.570 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.035 11.659 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.786 10.979 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.220 13.620 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.077 12.526 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.557 11.646 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.232 11.027 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.962 13.779 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.034 12.329 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.884 13.816 0.613 1.00 0.00 H new ATOM 691 N CYS A 46 -1.970 10.522 -2.247 1.00 0.00 N ATOM 692 CA CYS A 46 -0.827 9.612 -2.311 1.00 0.00 C ATOM 693 C CYS A 46 0.363 10.266 -3.012 1.00 0.00 C ATOM 694 O CYS A 46 1.512 10.062 -2.622 1.00 0.00 O ATOM 695 CB CYS A 46 -1.208 8.308 -3.022 1.00 0.00 C ATOM 696 SG CYS A 46 -1.589 8.500 -4.779 1.00 0.00 S ATOM 0 H CYS A 46 -2.841 10.134 -2.608 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.534 9.379 -1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.388 7.598 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.073 7.874 -2.520 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.243 9.608 -4.963 1.00 0.00 H new ATOM 702 N GLN A 47 0.082 11.054 -4.045 1.00 0.00 N ATOM 703 CA GLN A 47 1.131 11.738 -4.793 1.00 0.00 C ATOM 704 C GLN A 47 1.721 12.884 -3.977 1.00 0.00 C ATOM 705 O GLN A 47 2.939 13.011 -3.861 1.00 0.00 O ATOM 706 CB GLN A 47 0.581 12.271 -6.118 1.00 0.00 C ATOM 707 CG GLN A 47 1.634 12.401 -7.206 1.00 0.00 C ATOM 708 CD GLN A 47 1.066 12.934 -8.508 1.00 0.00 C ATOM 709 OE1 GLN A 47 0.012 12.493 -8.965 1.00 0.00 O ATOM 710 NE2 GLN A 47 1.765 13.888 -9.113 1.00 0.00 N ATOM 0 H GLN A 47 -0.863 11.235 -4.383 1.00 0.00 H new ATOM 0 HA GLN A 47 1.922 11.017 -5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.210 11.607 -6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.125 13.246 -5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.427 13.065 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.089 11.427 -7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.634 14.224 -8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.432 14.284 -9.992 1.00 0.00 H new ATOM 719 N SER A 48 0.849 13.715 -3.411 1.00 0.00 N ATOM 720 CA SER A 48 1.285 14.851 -2.604 1.00 0.00 C ATOM 721 C SER A 48 2.221 14.398 -1.486 1.00 0.00 C ATOM 722 O SER A 48 3.240 15.034 -1.218 1.00 0.00 O ATOM 723 CB SER A 48 0.078 15.577 -2.006 1.00 0.00 C ATOM 724 OG SER A 48 -0.130 16.828 -2.638 1.00 0.00 O ATOM 0 H SER A 48 -0.163 13.623 -3.496 1.00 0.00 H new ATOM 0 HA SER A 48 1.827 15.537 -3.255 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.813 14.959 -2.115 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.233 15.727 -0.938 1.00 0.00 H new ATOM 0 HG SER A 48 -0.908 17.271 -2.239 1.00 0.00 H new ATOM 730 N HIS A 49 1.866 13.293 -0.839 1.00 0.00 N ATOM 731 CA HIS A 49 2.671 12.750 0.251 1.00 0.00 C ATOM 732 C HIS A 49 3.811 11.883 -0.277 1.00 0.00 C ATOM 733 O HIS A 49 4.665 11.435 0.488 1.00 0.00 O ATOM 734 CB HIS A 49 1.791 11.932 1.195 1.00 0.00 C ATOM 735 CG HIS A 49 0.985 12.773 2.132 1.00 0.00 C ATOM 736 ND1 HIS A 49 0.020 13.659 1.704 1.00 0.00 N ATOM 737 CD2 HIS A 49 1.005 12.865 3.482 1.00 0.00 C ATOM 738 CE1 HIS A 49 -0.519 14.262 2.749 1.00 0.00 C ATOM 739 NE2 HIS A 49 0.061 13.798 3.840 1.00 0.00 N ATOM 0 H HIS A 49 1.026 12.755 -1.050 1.00 0.00 H new ATOM 0 HA HIS A 49 3.107 13.588 0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.117 11.311 0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.421 11.257 1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.643 12.309 4.153 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.300 15.007 2.716 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.156 14.085 4.794 1.00 0.00 H new ATOM 748 N ASN A 50 3.823 11.650 -1.585 1.00 0.00 N ATOM 749 CA ASN A 50 4.860 10.838 -2.206 1.00 0.00 C ATOM 750 C ASN A 50 4.789 9.396 -1.712 1.00 0.00 C ATOM 751 O ASN A 50 5.814 8.779 -1.422 1.00 0.00 O ATOM 752 CB ASN A 50 6.244 11.425 -1.914 1.00 0.00 C ATOM 753 CG ASN A 50 6.343 12.893 -2.285 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.492 13.755 -1.419 1.00 0.00 O ATOM 755 ND2 ASN A 50 6.264 13.184 -3.578 1.00 0.00 N ATOM 0 H ASN A 50 3.125 12.013 -2.235 1.00 0.00 H new ATOM 0 HA ASN A 50 4.694 10.843 -3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.470 11.305 -0.854 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.997 10.863 -2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.327 14.154 -3.887 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.140 12.438 -4.262 1.00 0.00 H new ATOM 762 N ILE A 51 3.572 8.869 -1.618 1.00 0.00 N ATOM 763 CA ILE A 51 3.359 7.500 -1.161 1.00 0.00 C ATOM 764 C ILE A 51 2.933 6.596 -2.320 1.00 0.00 C ATOM 765 O ILE A 51 1.752 6.531 -2.661 1.00 0.00 O ATOM 766 CB ILE A 51 2.283 7.440 -0.055 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.660 8.360 1.107 1.00 0.00 C ATOM 768 CG2 ILE A 51 2.098 6.011 0.436 1.00 0.00 C ATOM 769 CD1 ILE A 51 1.481 8.760 1.971 1.00 0.00 C ATOM 0 H ILE A 51 2.716 9.371 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 51 4.307 7.147 -0.756 1.00 0.00 H new ATOM 0 HB ILE A 51 1.338 7.783 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.403 7.860 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.130 9.259 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.336 5.990 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.786 5.378 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.040 5.640 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.823 9.412 2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.747 9.288 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.023 7.868 2.398 1.00 0.00 H new ATOM 781 N PRO A 52 3.891 5.886 -2.945 1.00 0.00 N ATOM 782 CA PRO A 52 3.602 4.988 -4.070 1.00 0.00 C ATOM 783 C PRO A 52 2.506 3.978 -3.739 1.00 0.00 C ATOM 784 O PRO A 52 2.687 3.111 -2.885 1.00 0.00 O ATOM 785 CB PRO A 52 4.933 4.272 -4.312 1.00 0.00 C ATOM 786 CG PRO A 52 5.969 5.195 -3.769 1.00 0.00 C ATOM 787 CD PRO A 52 5.328 5.902 -2.607 1.00 0.00 C ATOM 0 HA PRO A 52 3.235 5.534 -4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.960 3.307 -3.807 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.091 4.081 -5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.854 4.644 -3.450 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.293 5.907 -4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.525 5.388 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.704 6.919 -2.499 1.00 0.00 H new ATOM 795 N VAL A 53 1.376 4.092 -4.434 1.00 0.00 N ATOM 796 CA VAL A 53 0.247 3.188 -4.228 1.00 0.00 C ATOM 797 C VAL A 53 -0.599 3.075 -5.494 1.00 0.00 C ATOM 798 O VAL A 53 -0.470 3.885 -6.411 1.00 0.00 O ATOM 799 CB VAL A 53 -0.659 3.654 -3.070 1.00 0.00 C ATOM 800 CG1 VAL A 53 -0.081 3.233 -1.729 1.00 0.00 C ATOM 801 CG2 VAL A 53 -0.872 5.161 -3.120 1.00 0.00 C ATOM 0 H VAL A 53 1.218 4.804 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 53 0.670 2.216 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.630 3.173 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.737 3.573 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.003 2.147 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.906 3.677 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.514 5.465 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.090 5.667 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.344 5.431 -4.065 1.00 0.00 H new ATOM 811 N GLU A 54 -1.466 2.066 -5.536 1.00 0.00 N ATOM 812 CA GLU A 54 -2.335 1.850 -6.690 1.00 0.00 C ATOM 813 C GLU A 54 -3.797 1.763 -6.261 1.00 0.00 C ATOM 814 O GLU A 54 -4.186 0.850 -5.532 1.00 0.00 O ATOM 815 CB GLU A 54 -1.937 0.571 -7.436 1.00 0.00 C ATOM 816 CG GLU A 54 -0.435 0.347 -7.530 1.00 0.00 C ATOM 817 CD GLU A 54 0.091 0.503 -8.943 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.304 1.475 -9.620 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.900 -0.347 -9.373 1.00 0.00 O ATOM 0 H GLU A 54 -1.585 1.386 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.216 2.702 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.390 -0.285 -6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.352 0.607 -8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.076 1.054 -6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.197 -0.653 -7.166 1.00 0.00 H new ATOM 826 N LEU A 55 -4.603 2.719 -6.718 1.00 0.00 N ATOM 827 CA LEU A 55 -6.023 2.752 -6.380 1.00 0.00 C ATOM 828 C LEU A 55 -6.854 2.009 -7.426 1.00 0.00 C ATOM 829 O LEU A 55 -6.917 2.412 -8.586 1.00 0.00 O ATOM 830 CB LEU A 55 -6.501 4.201 -6.259 1.00 0.00 C ATOM 831 CG LEU A 55 -7.875 4.380 -5.603 1.00 0.00 C ATOM 832 CD1 LEU A 55 -7.734 4.948 -4.196 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.760 5.279 -6.458 1.00 0.00 C ATOM 0 H LEU A 55 -4.296 3.481 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.157 2.250 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.765 4.763 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.531 4.642 -7.255 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.347 3.401 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.722 5.066 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.140 4.267 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.239 5.918 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.732 5.396 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.289 6.256 -6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.893 4.829 -7.442 1.00 0.00 H new ATOM 845 N ILE A 56 -7.484 0.920 -7.002 1.00 0.00 N ATOM 846 CA ILE A 56 -8.312 0.105 -7.886 1.00 0.00 C ATOM 847 C ILE A 56 -9.795 0.340 -7.609 1.00 0.00 C ATOM 848 O ILE A 56 -10.174 0.661 -6.485 1.00 0.00 O ATOM 849 CB ILE A 56 -7.969 -1.393 -7.746 1.00 0.00 C ATOM 850 CG1 ILE A 56 -8.796 -2.234 -8.718 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.166 -1.873 -6.319 1.00 0.00 C ATOM 852 CD1 ILE A 56 -8.075 -3.476 -9.198 1.00 0.00 C ATOM 0 H ILE A 56 -7.437 0.578 -6.042 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.100 0.407 -8.912 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.916 -1.516 -7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.727 -2.527 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.065 -1.622 -9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.916 -2.932 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.518 -1.305 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.206 -1.727 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.718 -4.027 -9.885 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.157 -3.189 -9.711 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.830 -4.108 -8.344 1.00 0.00 H new ATOM 864 N GLN A 57 -10.634 0.183 -8.633 1.00 0.00 N ATOM 865 CA GLN A 57 -12.074 0.382 -8.483 1.00 0.00 C ATOM 866 C GLN A 57 -12.821 -0.916 -8.792 1.00 0.00 C ATOM 867 O GLN A 57 -12.440 -1.653 -9.701 1.00 0.00 O ATOM 868 CB GLN A 57 -12.551 1.497 -9.421 1.00 0.00 C ATOM 869 CG GLN A 57 -12.431 2.893 -8.829 1.00 0.00 C ATOM 870 CD GLN A 57 -11.014 3.439 -8.883 1.00 0.00 C ATOM 871 OE1 GLN A 57 -10.270 3.365 -7.906 1.00 0.00 O ATOM 872 NE2 GLN A 57 -10.634 3.995 -10.029 1.00 0.00 N ATOM 0 H GLN A 57 -10.341 -0.081 -9.574 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.283 0.672 -7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.973 1.454 -10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.592 1.314 -9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.096 3.569 -9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.768 2.873 -7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.282 4.036 -10.816 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.694 4.380 -10.122 1.00 0.00 H new ATOM 881 N CYS A 58 -13.880 -1.199 -8.035 1.00 0.00 N ATOM 882 CA CYS A 58 -14.665 -2.416 -8.235 1.00 0.00 C ATOM 883 C CYS A 58 -16.033 -2.280 -7.570 1.00 0.00 C ATOM 884 O CYS A 58 -16.257 -1.366 -6.786 1.00 0.00 O ATOM 885 CB CYS A 58 -13.920 -3.624 -7.658 1.00 0.00 C ATOM 886 SG CYS A 58 -13.014 -4.596 -8.884 1.00 0.00 S ATOM 0 H CYS A 58 -14.214 -0.602 -7.278 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.809 -2.566 -9.305 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.220 -3.275 -6.899 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.638 -4.273 -7.156 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.380 -3.796 -9.689 1.00 0.00 H new ATOM 892 N ARG A 59 -16.949 -3.190 -7.880 1.00 0.00 N ATOM 893 CA ARG A 59 -18.285 -3.154 -7.295 1.00 0.00 C ATOM 894 C ARG A 59 -18.275 -3.748 -5.886 1.00 0.00 C ATOM 895 O ARG A 59 -17.217 -3.911 -5.280 1.00 0.00 O ATOM 896 CB ARG A 59 -19.274 -3.917 -8.185 1.00 0.00 C ATOM 897 CG ARG A 59 -19.485 -3.281 -9.548 1.00 0.00 C ATOM 898 CD ARG A 59 -18.258 -3.425 -10.435 1.00 0.00 C ATOM 899 NE ARG A 59 -18.566 -3.154 -11.837 1.00 0.00 N ATOM 900 CZ ARG A 59 -18.953 -1.965 -12.297 1.00 0.00 C ATOM 901 NH1 ARG A 59 -19.041 -0.924 -11.478 1.00 0.00 N ATOM 902 NH2 ARG A 59 -19.236 -1.811 -13.582 1.00 0.00 N ATOM 0 H ARG A 59 -16.792 -3.960 -8.531 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.602 -2.113 -7.227 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.914 -4.937 -8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.234 -3.984 -7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.343 -3.744 -10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.721 -2.224 -9.423 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.481 -2.740 -10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.857 -4.434 -10.340 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.480 -3.921 -12.504 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.812 -1.032 -10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.338 -0.017 -11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.158 -2.603 -14.220 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.532 -0.900 -13.933 1.00 0.00 H new ATOM 916 N VAL A 60 -19.458 -4.077 -5.376 1.00 0.00 N ATOM 917 CA VAL A 60 -19.587 -4.657 -4.044 1.00 0.00 C ATOM 918 C VAL A 60 -19.349 -6.170 -4.066 1.00 0.00 C ATOM 919 O VAL A 60 -19.294 -6.811 -3.018 1.00 0.00 O ATOM 920 CB VAL A 60 -20.976 -4.366 -3.441 1.00 0.00 C ATOM 921 CG1 VAL A 60 -21.042 -4.820 -1.990 1.00 0.00 C ATOM 922 CG2 VAL A 60 -21.305 -2.883 -3.554 1.00 0.00 C ATOM 0 H VAL A 60 -20.343 -3.951 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 60 -18.824 -4.191 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.719 -4.929 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -22.031 -4.604 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -20.853 -5.892 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -20.289 -4.289 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.289 -2.695 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -20.556 -2.302 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -21.306 -2.589 -4.604 1.00 0.00 H new ATOM 932 N ASN A 61 -19.203 -6.735 -5.266 1.00 0.00 N ATOM 933 CA ASN A 61 -18.966 -8.169 -5.412 1.00 0.00 C ATOM 934 C ASN A 61 -17.817 -8.441 -6.383 1.00 0.00 C ATOM 935 O ASN A 61 -17.975 -9.169 -7.363 1.00 0.00 O ATOM 936 CB ASN A 61 -20.234 -8.876 -5.898 1.00 0.00 C ATOM 937 CG ASN A 61 -20.216 -10.362 -5.596 1.00 0.00 C ATOM 938 OD1 ASN A 61 -20.986 -10.848 -4.767 1.00 0.00 O ATOM 939 ND2 ASN A 61 -19.335 -11.094 -6.269 1.00 0.00 N ATOM 0 H ASN A 61 -19.245 -6.222 -6.147 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.692 -8.562 -4.433 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.105 -8.422 -5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.341 -8.727 -6.972 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -19.278 -12.100 -6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -18.716 -10.650 -6.947 1.00 0.00 H new ATOM 946 N GLU A 62 -16.659 -7.860 -6.096 1.00 0.00 N ATOM 947 CA GLU A 62 -15.480 -8.043 -6.933 1.00 0.00 C ATOM 948 C GLU A 62 -14.206 -7.881 -6.115 1.00 0.00 C ATOM 949 O GLU A 62 -13.218 -8.576 -6.342 1.00 0.00 O ATOM 950 CB GLU A 62 -15.478 -7.046 -8.096 1.00 0.00 C ATOM 951 CG GLU A 62 -16.456 -7.396 -9.208 1.00 0.00 C ATOM 952 CD GLU A 62 -16.051 -8.642 -9.971 1.00 0.00 C ATOM 953 OE1 GLU A 62 -16.211 -9.752 -9.424 1.00 0.00 O ATOM 954 OE2 GLU A 62 -15.573 -8.506 -11.118 1.00 0.00 O ATOM 0 H GLU A 62 -16.511 -7.256 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.513 -9.055 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.718 -6.054 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.473 -6.991 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.448 -7.542 -8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.528 -6.558 -9.901 1.00 0.00 H new ATOM 961 N ILE A 63 -14.231 -6.958 -5.158 1.00 0.00 N ATOM 962 CA ILE A 63 -13.069 -6.707 -4.319 1.00 0.00 C ATOM 963 C ILE A 63 -12.546 -7.993 -3.695 1.00 0.00 C ATOM 964 O ILE A 63 -11.344 -8.152 -3.515 1.00 0.00 O ATOM 965 CB ILE A 63 -13.381 -5.691 -3.198 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.468 -6.216 -2.254 1.00 0.00 C ATOM 967 CG2 ILE A 63 -13.799 -4.356 -3.791 1.00 0.00 C ATOM 968 CD1 ILE A 63 -14.145 -5.992 -0.793 1.00 0.00 C ATOM 0 H ILE A 63 -15.041 -6.375 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.303 -6.288 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 63 -12.470 -5.549 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -15.413 -5.727 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.609 -7.283 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -14.015 -3.652 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.992 -3.964 -4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.691 -4.493 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.953 -6.386 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.216 -6.504 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.033 -4.924 -0.605 1.00 0.00 H new ATOM 980 N GLU A 64 -13.450 -8.912 -3.377 1.00 0.00 N ATOM 981 CA GLU A 64 -13.075 -10.180 -2.776 1.00 0.00 C ATOM 982 C GLU A 64 -12.295 -11.036 -3.767 1.00 0.00 C ATOM 983 O GLU A 64 -11.380 -11.766 -3.389 1.00 0.00 O ATOM 984 CB GLU A 64 -14.319 -10.924 -2.292 1.00 0.00 C ATOM 985 CG GLU A 64 -14.776 -10.493 -0.907 1.00 0.00 C ATOM 986 CD GLU A 64 -16.282 -10.363 -0.801 1.00 0.00 C ATOM 987 OE1 GLU A 64 -16.829 -9.370 -1.326 1.00 0.00 O ATOM 988 OE2 GLU A 64 -16.914 -11.252 -0.194 1.00 0.00 O ATOM 0 H GLU A 64 -14.452 -8.799 -3.528 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.432 -9.979 -1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.130 -10.762 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.113 -11.994 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.426 -11.217 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.315 -9.537 -0.658 1.00 0.00 H new ATOM 995 N THR A 65 -12.661 -10.938 -5.039 1.00 0.00 N ATOM 996 CA THR A 65 -11.991 -11.701 -6.081 1.00 0.00 C ATOM 997 C THR A 65 -10.639 -11.081 -6.424 1.00 0.00 C ATOM 998 O THR A 65 -9.650 -11.791 -6.602 1.00 0.00 O ATOM 999 CB THR A 65 -12.871 -11.788 -7.331 1.00 0.00 C ATOM 1000 OG1 THR A 65 -12.991 -10.521 -7.952 1.00 0.00 O ATOM 1001 CG2 THR A 65 -14.269 -12.294 -7.041 1.00 0.00 C ATOM 0 H THR A 65 -13.416 -10.339 -5.372 1.00 0.00 H new ATOM 0 HA THR A 65 -11.818 -12.710 -5.706 1.00 0.00 H new ATOM 0 HB THR A 65 -12.372 -12.500 -7.988 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.159 -10.308 -8.423 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.842 -12.332 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.212 -13.293 -6.608 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.761 -11.622 -6.338 1.00 0.00 H new ATOM 1009 N TYR A 66 -10.598 -9.752 -6.517 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.354 -9.056 -6.839 1.00 0.00 C ATOM 1011 C TYR A 66 -8.563 -8.677 -5.579 1.00 0.00 C ATOM 1012 O TYR A 66 -7.511 -8.046 -5.675 1.00 0.00 O ATOM 1013 CB TYR A 66 -9.635 -7.805 -7.679 1.00 0.00 C ATOM 1014 CG TYR A 66 -10.369 -8.084 -8.978 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -11.743 -8.275 -8.995 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -9.686 -8.152 -10.187 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -12.418 -8.526 -10.174 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -10.354 -8.402 -11.373 1.00 0.00 C ATOM 1019 CZ TYR A 66 -11.720 -8.589 -11.360 1.00 0.00 C ATOM 1020 OH TYR A 66 -12.393 -8.837 -12.537 1.00 0.00 O ATOM 0 H TYR A 66 -11.403 -9.142 -6.376 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.743 -9.747 -7.420 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.223 -7.106 -7.085 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.689 -7.313 -7.907 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -12.296 -8.227 -8.068 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.616 -8.007 -10.201 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.488 -8.672 -10.166 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.808 -8.450 -12.304 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.756 -8.848 -13.282 1.00 0.00 H new ATOM 1030 N MET A 67 -9.042 -9.094 -4.402 1.00 0.00 N ATOM 1031 CA MET A 67 -8.327 -8.818 -3.147 1.00 0.00 C ATOM 1032 C MET A 67 -7.142 -9.772 -2.967 1.00 0.00 C ATOM 1033 O MET A 67 -6.964 -10.347 -1.893 1.00 0.00 O ATOM 1034 CB MET A 67 -9.252 -8.915 -1.929 1.00 0.00 C ATOM 1035 CG MET A 67 -9.742 -10.323 -1.651 1.00 0.00 C ATOM 1036 SD MET A 67 -9.311 -10.904 0.004 1.00 0.00 S ATOM 1037 CE MET A 67 -9.135 -12.666 -0.279 1.00 0.00 C ATOM 0 H MET A 67 -9.910 -9.617 -4.290 1.00 0.00 H new ATOM 0 HA MET A 67 -7.957 -7.795 -3.216 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.724 -8.543 -1.051 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.112 -8.263 -2.083 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.825 -10.356 -1.771 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.318 -11.002 -2.391 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.869 -13.160 0.656 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.077 -13.071 -0.648 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.351 -12.840 -1.017 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.346 -9.955 -4.013 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.202 -10.859 -3.945 1.00 0.00 C ATOM 1049 C ASP A 68 -3.973 -10.154 -3.388 1.00 0.00 C ATOM 1050 O ASP A 68 -3.181 -10.746 -2.655 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.906 -11.442 -5.329 1.00 0.00 C ATOM 1052 CG ASP A 68 -5.250 -12.917 -5.417 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -5.975 -13.413 -4.528 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -4.797 -13.575 -6.376 1.00 0.00 O ATOM 0 H ASP A 68 -6.469 -9.493 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.454 -11.674 -3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.473 -10.893 -6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.850 -11.303 -5.561 1.00 0.00 H new ATOM 1059 N GLY A 69 -3.828 -8.884 -3.730 1.00 0.00 N ATOM 1060 CA GLY A 69 -2.705 -8.109 -3.247 1.00 0.00 C ATOM 1061 C GLY A 69 -3.133 -6.721 -2.836 1.00 0.00 C ATOM 1062 O GLY A 69 -2.424 -5.744 -3.078 1.00 0.00 O ATOM 0 H GLY A 69 -4.471 -8.374 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.248 -8.617 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.945 -8.042 -4.025 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.307 -6.635 -2.220 1.00 0.00 N ATOM 1067 CA VAL A 70 -4.850 -5.363 -1.781 1.00 0.00 C ATOM 1068 C VAL A 70 -4.474 -5.076 -0.329 1.00 0.00 C ATOM 1069 O VAL A 70 -4.619 -5.930 0.547 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.377 -5.346 -1.969 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -6.970 -4.008 -1.563 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -6.709 -5.662 -3.418 1.00 0.00 C ATOM 0 H VAL A 70 -4.901 -7.438 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.416 -4.573 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.817 -6.105 -1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.050 -4.030 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.749 -3.815 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.537 -3.217 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.790 -5.651 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.254 -4.914 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.321 -6.648 -3.673 1.00 0.00 H new ATOM 1082 N HIS A 71 -3.967 -3.869 -0.095 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.538 -3.447 1.236 1.00 0.00 C ATOM 1084 C HIS A 71 -4.644 -2.694 1.972 1.00 0.00 C ATOM 1085 O HIS A 71 -4.623 -2.587 3.199 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.311 -2.551 1.111 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.546 -2.384 2.386 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -0.377 -3.060 2.656 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -1.783 -1.602 3.466 1.00 0.00 C ATOM 1090 CE1 HIS A 71 0.073 -2.706 3.844 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -0.761 -1.821 4.358 1.00 0.00 N ATOM 0 H HIS A 71 -3.842 -3.159 -0.817 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.298 -4.340 1.813 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.647 -2.966 0.353 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.625 -1.569 0.757 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.619 -0.932 3.601 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.971 -3.077 4.316 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.663 -1.373 5.269 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.611 -2.176 1.219 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.727 -1.437 1.800 1.00 0.00 C ATOM 1102 C LEU A 72 -7.941 -1.495 0.877 1.00 0.00 C ATOM 1103 O LEU A 72 -7.806 -1.698 -0.327 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.331 0.023 2.045 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.817 0.346 3.450 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -5.648 1.850 3.619 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.758 -0.210 4.511 1.00 0.00 C ATOM 0 H LEU A 72 -5.643 -2.255 0.203 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.985 -1.899 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.560 0.297 1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.196 0.654 1.841 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.844 -0.129 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.282 2.064 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.932 2.220 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.609 2.343 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.373 0.031 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.747 0.232 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.829 -1.292 4.403 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.130 -1.325 1.445 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.362 -1.360 0.663 1.00 0.00 C ATOM 1121 C ILE A 73 -11.331 -0.279 1.133 1.00 0.00 C ATOM 1122 O ILE A 73 -11.426 0.006 2.326 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.070 -2.735 0.753 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.505 -3.557 1.908 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -10.956 -3.500 -0.559 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.117 -4.109 1.658 1.00 0.00 C ATOM 0 H ILE A 73 -9.267 -1.162 2.442 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.077 -1.182 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.128 -2.555 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.481 -2.936 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.182 -4.386 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.462 -4.461 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.420 -2.922 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.904 -3.665 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.790 -4.680 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -9.136 -4.759 0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.424 -3.286 1.483 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.049 0.323 0.194 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.012 1.367 0.523 1.00 0.00 C ATOM 1140 C CYS A 74 -14.379 1.063 -0.084 1.00 0.00 C ATOM 1141 O CYS A 74 -14.559 1.146 -1.299 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.508 2.725 0.034 1.00 0.00 C ATOM 1143 SG CYS A 74 -10.974 3.268 0.822 1.00 0.00 S ATOM 0 H CYS A 74 -11.983 0.107 -0.801 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.121 1.398 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.353 2.677 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.280 3.473 0.212 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.626 4.425 0.342 1.00 0.00 H new ATOM 1149 N THR A 75 -15.342 0.709 0.763 1.00 0.00 N ATOM 1150 CA THR A 75 -16.689 0.392 0.299 1.00 0.00 C ATOM 1151 C THR A 75 -17.738 1.192 1.070 1.00 0.00 C ATOM 1152 O THR A 75 -17.587 1.443 2.266 1.00 0.00 O ATOM 1153 CB THR A 75 -16.964 -1.105 0.455 1.00 0.00 C ATOM 1154 OG1 THR A 75 -15.785 -1.857 0.226 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.029 -1.623 -0.488 1.00 0.00 C ATOM 0 H THR A 75 -15.215 0.635 1.772 1.00 0.00 H new ATOM 0 HA THR A 75 -16.754 0.663 -0.755 1.00 0.00 H new ATOM 0 HB THR A 75 -17.320 -1.227 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.980 -2.812 0.332 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.173 -2.691 -0.323 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.966 -1.098 -0.303 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.716 -1.454 -1.518 1.00 0.00 H new ATOM 1163 N THR A 76 -18.803 1.586 0.377 1.00 0.00 N ATOM 1164 CA THR A 76 -19.881 2.354 0.995 1.00 0.00 C ATOM 1165 C THR A 76 -21.238 1.721 0.704 1.00 0.00 C ATOM 1166 O THR A 76 -22.192 2.411 0.341 1.00 0.00 O ATOM 1167 CB THR A 76 -19.864 3.800 0.493 1.00 0.00 C ATOM 1168 OG1 THR A 76 -18.553 4.332 0.543 1.00 0.00 O ATOM 1169 CG2 THR A 76 -20.764 4.721 1.288 1.00 0.00 C ATOM 0 H THR A 76 -18.943 1.386 -0.613 1.00 0.00 H new ATOM 0 HA THR A 76 -19.720 2.350 2.073 1.00 0.00 H new ATOM 0 HB THR A 76 -20.233 3.754 -0.532 1.00 0.00 H new ATOM 0 HG1 THR A 76 -18.562 5.256 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.704 5.730 0.879 1.00 0.00 H new ATOM 0 HG22 THR A 76 -21.793 4.365 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.444 4.732 2.330 1.00 0.00 H new ATOM 1177 N ALA A 77 -21.321 0.405 0.863 1.00 0.00 N ATOM 1178 CA ALA A 77 -22.564 -0.318 0.616 1.00 0.00 C ATOM 1179 C ALA A 77 -23.117 -0.943 1.897 1.00 0.00 C ATOM 1180 O ALA A 77 -24.153 -1.608 1.872 1.00 0.00 O ATOM 1181 CB ALA A 77 -22.346 -1.390 -0.441 1.00 0.00 C ATOM 0 H ALA A 77 -20.543 -0.183 1.162 1.00 0.00 H new ATOM 0 HA ALA A 77 -23.300 0.400 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -23.280 -1.923 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -22.014 -0.924 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -21.587 -2.092 -0.096 1.00 0.00 H new ATOM 1187 N ARG A 78 -22.425 -0.729 3.017 1.00 0.00 N ATOM 1188 CA ARG A 78 -22.854 -1.277 4.303 1.00 0.00 C ATOM 1189 C ARG A 78 -22.623 -2.786 4.360 1.00 0.00 C ATOM 1190 O ARG A 78 -23.569 -3.567 4.459 1.00 0.00 O ATOM 1191 CB ARG A 78 -24.333 -0.959 4.555 1.00 0.00 C ATOM 1192 CG ARG A 78 -24.632 -0.540 5.985 1.00 0.00 C ATOM 1193 CD ARG A 78 -24.306 0.926 6.210 1.00 0.00 C ATOM 1194 NE ARG A 78 -25.415 1.804 5.834 1.00 0.00 N ATOM 1195 CZ ARG A 78 -26.129 2.523 6.700 1.00 0.00 C ATOM 1196 NH1 ARG A 78 -25.886 2.452 8.003 1.00 0.00 N ATOM 1197 NH2 ARG A 78 -27.096 3.317 6.258 1.00 0.00 N ATOM 0 H ARG A 78 -21.566 -0.181 3.059 1.00 0.00 H new ATOM 0 HA ARG A 78 -22.255 -0.809 5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -24.645 -0.162 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -24.931 -1.837 4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -25.684 -0.719 6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -24.053 -1.154 6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -24.060 1.084 7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -23.422 1.193 5.631 1.00 0.00 H new ATOM 0 HE ARG A 78 -25.657 1.870 4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -25.146 1.842 8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -26.439 3.007 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -27.291 3.376 5.259 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -27.644 3.869 6.918 1.00 0.00 H new ATOM 1211 N VAL A 79 -21.359 -3.189 4.298 1.00 0.00 N ATOM 1212 CA VAL A 79 -21.006 -4.603 4.344 1.00 0.00 C ATOM 1213 C VAL A 79 -20.887 -5.096 5.787 1.00 0.00 C ATOM 1214 O VAL A 79 -21.262 -4.391 6.722 1.00 0.00 O ATOM 1215 CB VAL A 79 -19.688 -4.874 3.589 1.00 0.00 C ATOM 1216 CG1 VAL A 79 -19.795 -4.392 2.151 1.00 0.00 C ATOM 1217 CG2 VAL A 79 -18.513 -4.209 4.288 1.00 0.00 C ATOM 0 H VAL A 79 -20.562 -2.557 4.216 1.00 0.00 H new ATOM 0 HA VAL A 79 -21.809 -5.152 3.852 1.00 0.00 H new ATOM 0 HB VAL A 79 -19.512 -5.950 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -18.858 -4.590 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -20.607 -4.919 1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -19.997 -3.321 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -17.596 -4.416 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -18.677 -3.132 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -18.422 -4.602 5.301 1.00 0.00 H new ATOM 1227 N ASP A 80 -20.370 -6.309 5.960 1.00 0.00 N ATOM 1228 CA ASP A 80 -20.215 -6.892 7.290 1.00 0.00 C ATOM 1229 C ASP A 80 -18.799 -6.691 7.823 1.00 0.00 C ATOM 1230 O ASP A 80 -18.568 -6.779 9.028 1.00 0.00 O ATOM 1231 CB ASP A 80 -20.546 -8.387 7.252 1.00 0.00 C ATOM 1232 CG ASP A 80 -19.534 -9.189 6.456 1.00 0.00 C ATOM 1233 OD1 ASP A 80 -18.950 -8.628 5.504 1.00 0.00 O ATOM 1234 OD2 ASP A 80 -19.324 -10.376 6.783 1.00 0.00 O ATOM 0 H ASP A 80 -20.052 -6.907 5.197 1.00 0.00 H new ATOM 0 HA ASP A 80 -20.907 -6.383 7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.588 -8.772 8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.536 -8.525 6.818 1.00 0.00 H new ATOM 1239 N ARG A 81 -17.858 -6.444 6.913 1.00 0.00 N ATOM 1240 CA ARG A 81 -16.452 -6.248 7.268 1.00 0.00 C ATOM 1241 C ARG A 81 -16.006 -7.230 8.347 1.00 0.00 C ATOM 1242 O ARG A 81 -15.263 -6.875 9.262 1.00 0.00 O ATOM 1243 CB ARG A 81 -16.187 -4.804 7.710 1.00 0.00 C ATOM 1244 CG ARG A 81 -16.847 -4.418 9.025 1.00 0.00 C ATOM 1245 CD ARG A 81 -17.959 -3.402 8.817 1.00 0.00 C ATOM 1246 NE ARG A 81 -17.538 -2.052 9.188 1.00 0.00 N ATOM 1247 CZ ARG A 81 -18.367 -1.107 9.629 1.00 0.00 C ATOM 1248 NH1 ARG A 81 -19.671 -1.345 9.720 1.00 0.00 N ATOM 1249 NH2 ARG A 81 -17.892 0.082 9.970 1.00 0.00 N ATOM 0 H ARG A 81 -18.047 -6.374 5.913 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.862 -6.443 6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.111 -4.656 7.801 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.537 -4.128 6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.253 -5.309 9.504 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -16.098 -4.005 9.701 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -18.269 -3.412 7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -18.828 -3.688 9.410 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.548 -1.819 9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -20.043 -2.256 9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.300 -0.617 10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.893 0.273 9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.526 0.807 10.308 1.00 0.00 H new ATOM 1263 N SER A 82 -16.462 -8.471 8.221 1.00 0.00 N ATOM 1264 CA SER A 82 -16.112 -9.521 9.168 1.00 0.00 C ATOM 1265 C SER A 82 -15.644 -10.779 8.437 1.00 0.00 C ATOM 1266 O SER A 82 -15.479 -11.835 9.046 1.00 0.00 O ATOM 1267 CB SER A 82 -17.308 -9.851 10.061 1.00 0.00 C ATOM 1268 OG SER A 82 -16.887 -10.235 11.358 1.00 0.00 O ATOM 0 H SER A 82 -17.078 -8.775 7.467 1.00 0.00 H new ATOM 0 HA SER A 82 -15.294 -9.158 9.790 1.00 0.00 H new ATOM 0 HB2 SER A 82 -17.964 -8.983 10.131 1.00 0.00 H new ATOM 0 HB3 SER A 82 -17.890 -10.655 9.611 1.00 0.00 H new ATOM 0 HG SER A 82 -17.671 -10.439 11.909 1.00 0.00 H new ATOM 1274 N PHE A 83 -15.430 -10.660 7.128 1.00 0.00 N ATOM 1275 CA PHE A 83 -14.980 -11.785 6.320 1.00 0.00 C ATOM 1276 C PHE A 83 -13.462 -11.763 6.160 1.00 0.00 C ATOM 1277 O PHE A 83 -12.906 -10.865 5.524 1.00 0.00 O ATOM 1278 CB PHE A 83 -15.667 -11.771 4.947 1.00 0.00 C ATOM 1279 CG PHE A 83 -15.166 -10.702 4.013 1.00 0.00 C ATOM 1280 CD1 PHE A 83 -15.473 -9.367 4.229 1.00 0.00 C ATOM 1281 CD2 PHE A 83 -14.389 -11.036 2.914 1.00 0.00 C ATOM 1282 CE1 PHE A 83 -15.015 -8.388 3.370 1.00 0.00 C ATOM 1283 CE2 PHE A 83 -13.929 -10.059 2.051 1.00 0.00 C ATOM 1284 CZ PHE A 83 -14.243 -8.733 2.280 1.00 0.00 C ATOM 0 H PHE A 83 -15.562 -9.793 6.606 1.00 0.00 H new ATOM 0 HA PHE A 83 -15.255 -12.706 6.834 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -15.528 -12.744 4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -16.739 -11.637 5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -16.078 -9.090 5.080 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -14.141 -12.071 2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -15.261 -7.352 3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.325 -10.332 1.198 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.885 -7.968 1.607 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.795 -12.752 6.747 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.347 -12.825 6.665 1.00 0.00 C ATOM 1296 C GLY A 84 -10.669 -11.710 7.435 1.00 0.00 C ATOM 1297 O GLY A 84 -10.701 -11.690 8.666 1.00 0.00 O ATOM 0 H GLY A 84 -13.232 -13.505 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.012 -13.787 7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.042 -12.779 5.620 1.00 0.00 H new ATOM 1301 N ASP A 85 -10.055 -10.777 6.713 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.370 -9.654 7.341 1.00 0.00 C ATOM 1303 C ASP A 85 -9.295 -8.471 6.387 1.00 0.00 C ATOM 1304 O ASP A 85 -8.422 -7.617 6.517 1.00 0.00 O ATOM 1305 CB ASP A 85 -7.963 -10.061 7.777 1.00 0.00 C ATOM 1306 CG ASP A 85 -7.869 -10.298 9.271 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -8.498 -11.258 9.760 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -7.164 -9.521 9.951 1.00 0.00 O ATOM 0 H ASP A 85 -10.018 -10.777 5.694 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.940 -9.358 8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.670 -10.968 7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.257 -9.282 7.490 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.219 -8.430 5.434 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.269 -7.359 4.454 1.00 0.00 C ATOM 1315 C ILE A 86 -10.344 -5.993 5.150 1.00 0.00 C ATOM 1316 O ILE A 86 -11.401 -5.592 5.638 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.469 -7.583 3.492 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.060 -8.549 2.375 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -11.997 -6.284 2.895 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -9.832 -8.110 1.604 1.00 0.00 C ATOM 0 H ILE A 86 -10.948 -9.134 5.322 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.354 -7.369 3.862 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.280 -8.012 4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.873 -9.532 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.893 -8.660 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.834 -6.502 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.331 -5.625 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.204 -5.795 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.606 -8.845 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.020 -7.142 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.985 -8.027 2.285 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.209 -5.263 5.205 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.142 -3.941 5.846 1.00 0.00 C ATOM 1334 C PRO A 87 -9.918 -2.886 5.072 1.00 0.00 C ATOM 1335 O PRO A 87 -9.328 -2.029 4.411 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.647 -3.611 5.830 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.096 -4.402 4.696 1.00 0.00 C ATOM 1338 CD PRO A 87 -7.902 -5.669 4.650 1.00 0.00 C ATOM 0 HA PRO A 87 -9.581 -3.952 6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.479 -2.544 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.171 -3.885 6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.179 -3.852 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.038 -4.617 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.998 -6.048 3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.442 -6.460 5.243 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.240 -2.955 5.147 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.088 -2.007 4.438 1.00 0.00 C ATOM 1348 C LEU A 88 -12.569 -0.891 5.358 1.00 0.00 C ATOM 1349 O LEU A 88 -12.530 -1.018 6.582 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.286 -2.730 3.826 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.279 -3.297 4.839 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.643 -2.647 4.675 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.390 -4.805 4.693 1.00 0.00 C ATOM 0 H LEU A 88 -11.747 -3.655 5.689 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.492 -1.556 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.814 -2.038 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -12.920 -3.545 3.202 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.909 -3.073 5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.335 -3.065 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.555 -1.572 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.018 -2.837 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.102 -5.190 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.734 -5.049 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.414 -5.260 4.863 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.014 0.205 4.754 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.496 1.354 5.508 1.00 0.00 C ATOM 1367 C VAL A 89 -14.639 2.056 4.782 1.00 0.00 C ATOM 1368 O VAL A 89 -14.766 1.959 3.561 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.366 2.371 5.758 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -11.911 3.009 4.451 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -12.816 3.433 6.749 1.00 0.00 C ATOM 0 H VAL A 89 -13.051 0.321 3.741 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.858 0.973 6.463 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.516 1.840 6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.113 3.723 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.543 2.235 3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.751 3.526 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.006 4.143 6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.684 3.959 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.082 2.959 7.694 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.462 2.770 5.541 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.586 3.498 4.971 1.00 0.00 C ATOM 1383 C HIS A 90 -16.160 4.903 4.558 1.00 0.00 C ATOM 1384 O HIS A 90 -15.280 5.502 5.175 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.734 3.574 5.976 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.805 2.559 5.735 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -20.058 2.643 6.297 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.804 1.431 4.986 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -20.783 1.612 5.908 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -20.048 0.861 5.109 1.00 0.00 N ATOM 0 H HIS A 90 -15.371 2.859 6.553 1.00 0.00 H new ATOM 0 HA HIS A 90 -16.927 2.962 4.085 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.336 3.439 6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.174 4.571 5.939 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -20.377 3.387 6.918 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -17.980 1.051 4.401 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -21.805 1.415 6.195 1.00 0.00 H new ATOM 1399 N GLY A 91 -16.792 5.422 3.513 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.468 6.752 3.034 1.00 0.00 C ATOM 1401 C GLY A 91 -17.670 7.675 3.030 1.00 0.00 C ATOM 1402 O GLY A 91 -17.688 8.678 2.318 1.00 0.00 O ATOM 0 H GLY A 91 -17.525 4.945 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.687 7.181 3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.064 6.683 2.024 1.00 0.00 H new ATOM 1406 N MET A 92 -18.673 7.339 3.835 1.00 0.00 N ATOM 1407 CA MET A 92 -19.884 8.146 3.929 1.00 0.00 C ATOM 1408 C MET A 92 -19.549 9.622 4.151 1.00 0.00 C ATOM 1409 O MET A 92 -20.080 10.492 3.462 1.00 0.00 O ATOM 1410 CB MET A 92 -20.781 7.635 5.058 1.00 0.00 C ATOM 1411 CG MET A 92 -22.253 7.567 4.679 1.00 0.00 C ATOM 1412 SD MET A 92 -23.325 8.362 5.889 1.00 0.00 S ATOM 1413 CE MET A 92 -22.990 7.369 7.341 1.00 0.00 C ATOM 0 H MET A 92 -18.671 6.512 4.432 1.00 0.00 H new ATOM 0 HA MET A 92 -20.419 8.057 2.983 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.445 6.642 5.358 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.667 8.286 5.925 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.395 8.041 3.708 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.547 6.523 4.570 1.00 0.00 H new ATOM 0 HE1 MET A 92 -23.736 7.581 8.107 1.00 0.00 H new ATOM 0 HE2 MET A 92 -23.031 6.312 7.077 1.00 0.00 H new ATOM 0 HE3 MET A 92 -21.998 7.609 7.725 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.664 9.930 5.121 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.277 11.311 5.415 1.00 0.00 C ATOM 1425 C PRO A 93 -17.322 11.889 4.373 1.00 0.00 C ATOM 1426 O PRO A 93 -17.281 13.102 4.168 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.588 11.202 6.775 1.00 0.00 C ATOM 1428 CG PRO A 93 -17.028 9.823 6.803 1.00 0.00 C ATOM 1429 CD PRO A 93 -17.975 8.965 6.006 1.00 0.00 C ATOM 0 HA PRO A 93 -19.135 11.983 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.803 11.951 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.294 11.360 7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.027 9.801 6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.942 9.459 7.827 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.442 8.206 5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.679 8.440 6.651 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.552 11.022 3.716 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.603 11.475 2.702 1.00 0.00 C ATOM 1439 C PHE A 94 -16.339 12.044 1.493 1.00 0.00 C ATOM 1440 O PHE A 94 -15.901 13.024 0.891 1.00 0.00 O ATOM 1441 CB PHE A 94 -14.707 10.314 2.261 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.250 10.671 2.178 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -12.840 11.824 1.529 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.291 9.856 2.753 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.500 12.154 1.457 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -10.950 10.182 2.686 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.554 11.334 2.037 1.00 0.00 C ATOM 0 H PHE A 94 -16.566 10.013 3.866 1.00 0.00 H new ATOM 0 HA PHE A 94 -14.985 12.260 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.830 9.487 2.960 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.041 9.960 1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.575 12.472 1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.595 8.953 3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.193 13.055 0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.213 9.537 3.141 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.507 11.593 1.983 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.457 11.419 1.144 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.255 11.855 0.003 1.00 0.00 C ATOM 1459 C VAL A 95 -19.012 13.145 0.319 1.00 0.00 C ATOM 1460 O VAL A 95 -19.376 13.899 -0.584 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.261 10.759 -0.417 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.088 11.199 -1.617 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -18.534 9.458 -0.721 1.00 0.00 C ATOM 0 H VAL A 95 -17.832 10.608 1.635 1.00 0.00 H new ATOM 0 HA VAL A 95 -17.567 12.043 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.943 10.593 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.786 10.407 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -20.644 12.102 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -19.427 11.404 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.257 8.697 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.825 9.618 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.998 9.125 0.167 1.00 0.00 H new ATOM 1473 N SER A 96 -19.245 13.398 1.604 1.00 0.00 N ATOM 1474 CA SER A 96 -19.961 14.596 2.025 1.00 0.00 C ATOM 1475 C SER A 96 -19.274 15.863 1.522 1.00 0.00 C ATOM 1476 O SER A 96 -19.939 16.836 1.168 1.00 0.00 O ATOM 1477 CB SER A 96 -20.091 14.632 3.550 1.00 0.00 C ATOM 1478 OG SER A 96 -18.919 15.144 4.158 1.00 0.00 O ATOM 0 H SER A 96 -18.949 12.791 2.369 1.00 0.00 H new ATOM 0 HA SER A 96 -20.958 14.559 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.946 15.248 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.287 13.627 3.924 1.00 0.00 H new ATOM 0 HG SER A 96 -18.302 14.407 4.352 1.00 0.00 H new ATOM 1484 N GLY A 97 -17.943 15.851 1.492 1.00 0.00 N ATOM 1485 CA GLY A 97 -17.207 17.014 1.030 1.00 0.00 C ATOM 1486 C GLY A 97 -16.955 18.028 2.130 1.00 0.00 C ATOM 1487 O GLY A 97 -16.224 18.998 1.933 1.00 0.00 O ATOM 0 H GLY A 97 -17.365 15.061 1.778 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -16.252 16.692 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -17.762 17.492 0.222 1.00 0.00 H new ATOM 1491 N VAL A 98 -17.566 17.807 3.292 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.405 18.712 4.423 1.00 0.00 C ATOM 1493 C VAL A 98 -16.779 18.000 5.620 1.00 0.00 C ATOM 1494 O VAL A 98 -16.104 18.622 6.442 1.00 0.00 O ATOM 1495 CB VAL A 98 -18.760 19.328 4.835 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.597 18.333 5.628 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -18.545 20.609 5.626 1.00 0.00 C ATOM 0 H VAL A 98 -18.176 17.010 3.473 1.00 0.00 H new ATOM 0 HA VAL A 98 -16.735 19.510 4.104 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.310 19.574 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.545 18.794 5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -19.787 17.450 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.058 18.042 6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.511 21.029 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -17.969 20.389 6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -18.001 21.328 5.013 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.005 16.693 5.712 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.455 15.918 6.808 1.00 0.00 C ATOM 1509 C GLY A 99 -15.036 15.449 6.537 1.00 0.00 C ATOM 1510 O GLY A 99 -14.436 14.762 7.363 1.00 0.00 O ATOM 0 H GLY A 99 -17.560 16.157 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.467 16.520 7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.091 15.052 6.991 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.496 15.822 5.377 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.141 15.435 5.009 1.00 0.00 C ATOM 1516 C ILE A 100 -12.124 16.105 5.921 1.00 0.00 C ATOM 1517 O ILE A 100 -11.120 15.505 6.294 1.00 0.00 O ATOM 1518 CB ILE A 100 -12.811 15.810 3.552 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -13.973 15.447 2.622 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -11.537 15.110 3.109 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -13.693 15.734 1.163 1.00 0.00 C ATOM 0 H ILE A 100 -14.977 16.390 4.680 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.087 14.352 5.116 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.657 16.888 3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.203 14.388 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.860 16.001 2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.312 15.382 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.712 15.415 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.672 14.031 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.559 15.452 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.493 16.798 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.825 15.159 0.839 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.389 17.358 6.273 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.493 18.117 7.140 1.00 0.00 C ATOM 1535 C GLU A 101 -11.105 17.305 8.374 1.00 0.00 C ATOM 1536 O GLU A 101 -9.923 17.077 8.630 1.00 0.00 O ATOM 1537 CB GLU A 101 -12.153 19.434 7.559 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.509 20.659 6.931 1.00 0.00 C ATOM 1539 CD GLU A 101 -10.008 20.700 7.142 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -9.569 20.600 8.307 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -9.271 20.831 6.141 1.00 0.00 O ATOM 0 H GLU A 101 -13.218 17.871 5.971 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.584 18.337 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.208 19.406 7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.108 19.525 8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.723 20.670 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.957 21.558 7.355 1.00 0.00 H new ATOM 1548 N ALA A 102 -12.106 16.871 9.132 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.866 16.083 10.333 1.00 0.00 C ATOM 1550 C ALA A 102 -11.377 14.684 9.976 1.00 0.00 C ATOM 1551 O ALA A 102 -10.480 14.144 10.624 1.00 0.00 O ATOM 1552 CB ALA A 102 -13.134 16.004 11.173 1.00 0.00 C ATOM 0 H ALA A 102 -13.090 17.052 8.935 1.00 0.00 H new ATOM 0 HA ALA A 102 -11.088 16.576 10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.941 15.412 12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.442 17.009 11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.927 15.534 10.591 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.974 14.104 8.942 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.602 12.769 8.496 1.00 0.00 C ATOM 1560 C LEU A 103 -10.134 12.716 8.091 1.00 0.00 C ATOM 1561 O LEU A 103 -9.383 11.877 8.579 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.484 12.330 7.329 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.391 10.843 6.978 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -12.950 9.985 8.105 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.116 10.555 5.675 1.00 0.00 C ATOM 0 H LEU A 103 -12.718 14.539 8.397 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.752 12.083 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.521 12.569 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.215 12.914 6.449 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.339 10.589 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.873 8.932 7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.381 10.167 9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.996 10.241 8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.039 9.493 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.166 10.829 5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.664 11.136 4.871 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.727 13.615 7.198 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.342 13.660 6.737 1.00 0.00 C ATOM 1579 C GLN A 104 -7.375 13.670 7.918 1.00 0.00 C ATOM 1580 O GLN A 104 -6.422 12.893 7.966 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.096 14.877 5.847 1.00 0.00 C ATOM 1582 CG GLN A 104 -6.865 14.722 4.968 1.00 0.00 C ATOM 1583 CD GLN A 104 -6.754 15.792 3.901 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -7.564 16.714 3.839 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -5.740 15.667 3.051 1.00 0.00 N ATOM 0 H GLN A 104 -10.334 14.320 6.780 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.163 12.761 6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -8.969 15.043 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.982 15.762 6.473 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.974 14.749 5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.889 13.743 4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.092 14.884 3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.610 16.354 2.308 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.622 14.562 8.868 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.773 14.679 10.049 1.00 0.00 C ATOM 1596 C ASN A 105 -6.597 13.329 10.746 1.00 0.00 C ATOM 1597 O ASN A 105 -5.478 12.928 11.067 1.00 0.00 O ATOM 1598 CB ASN A 105 -7.369 15.695 11.025 1.00 0.00 C ATOM 1599 CG ASN A 105 -6.315 16.343 11.899 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -5.317 15.717 12.256 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -6.530 17.605 12.250 1.00 0.00 N ATOM 0 H ASN A 105 -8.404 15.216 8.845 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.791 15.022 9.723 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.897 16.467 10.465 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.106 15.199 11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.854 18.093 12.838 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.371 18.087 11.932 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.710 12.640 10.989 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.677 11.344 11.663 1.00 0.00 C ATOM 1610 C LYS A 106 -7.206 10.227 10.732 1.00 0.00 C ATOM 1611 O LYS A 106 -6.454 9.344 11.143 1.00 0.00 O ATOM 1612 CB LYS A 106 -9.061 11.002 12.221 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.609 12.054 13.174 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.684 11.539 14.606 1.00 0.00 C ATOM 1615 CE LYS A 106 -8.909 12.429 15.565 1.00 0.00 C ATOM 1616 NZ LYS A 106 -8.175 11.635 16.589 1.00 0.00 N ATOM 0 H LYS A 106 -8.644 12.957 10.730 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.961 11.422 12.481 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.757 10.877 11.392 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.008 10.045 12.740 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.975 12.940 13.140 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.602 12.359 12.845 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.727 11.487 14.920 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.287 10.525 14.649 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.202 13.039 15.003 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.597 13.114 16.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.660 12.278 17.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.852 11.072 17.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.500 11.000 16.117 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.658 10.262 9.484 1.00 0.00 N ATOM 1631 CA ILE A 107 -7.284 9.243 8.509 1.00 0.00 C ATOM 1632 C ILE A 107 -5.788 9.309 8.186 1.00 0.00 C ATOM 1633 O ILE A 107 -5.155 8.282 7.944 1.00 0.00 O ATOM 1634 CB ILE A 107 -8.133 9.366 7.218 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -8.087 8.082 6.397 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.676 10.537 6.375 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -8.525 6.853 7.157 1.00 0.00 C ATOM 0 H ILE A 107 -8.283 10.983 9.123 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.489 8.269 8.954 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.164 9.539 7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.723 8.200 5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.070 7.930 6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.289 10.599 5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.777 11.459 6.948 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.632 10.397 6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -8.464 5.981 6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.874 6.707 8.019 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.553 6.982 7.496 1.00 0.00 H new ATOM 1649 N LEU A 108 -5.218 10.516 8.204 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.791 10.690 7.931 1.00 0.00 C ATOM 1651 C LEU A 108 -2.954 10.261 9.135 1.00 0.00 C ATOM 1652 O LEU A 108 -1.927 9.596 8.986 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.479 12.147 7.579 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.713 12.523 6.114 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -3.332 13.975 5.870 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.924 11.602 5.196 1.00 0.00 C ATOM 0 H LEU A 108 -5.719 11.382 8.403 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.535 10.059 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.090 12.796 8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.438 12.350 7.829 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.773 12.404 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.505 14.226 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.940 14.622 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.278 14.120 6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.102 11.883 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.861 11.690 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.243 10.572 5.352 1.00 0.00 H new ATOM 1668 N THR A 109 -3.399 10.656 10.327 1.00 0.00 N ATOM 1669 CA THR A 109 -2.697 10.325 11.565 1.00 0.00 C ATOM 1670 C THR A 109 -2.590 8.814 11.753 1.00 0.00 C ATOM 1671 O THR A 109 -1.572 8.310 12.227 1.00 0.00 O ATOM 1672 CB THR A 109 -3.413 10.951 12.761 1.00 0.00 C ATOM 1673 OG1 THR A 109 -4.816 10.955 12.553 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.981 12.376 13.039 1.00 0.00 C ATOM 0 H THR A 109 -4.246 11.208 10.461 1.00 0.00 H new ATOM 0 HA THR A 109 -1.688 10.731 11.498 1.00 0.00 H new ATOM 0 HB THR A 109 -3.142 10.336 13.619 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.112 11.863 12.334 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.528 12.760 13.900 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.912 12.398 13.249 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.193 12.997 12.168 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.645 8.095 11.388 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.659 6.644 11.526 1.00 0.00 C ATOM 1684 C ILE A 110 -2.946 5.978 10.352 1.00 0.00 C ATOM 1685 O ILE A 110 -2.173 5.038 10.537 1.00 0.00 O ATOM 1686 CB ILE A 110 -5.097 6.098 11.619 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.909 6.891 12.645 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -5.077 4.620 11.981 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -7.395 6.907 12.358 1.00 0.00 C ATOM 0 H ILE A 110 -4.499 8.491 10.996 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.133 6.408 12.451 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.574 6.211 10.645 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.743 6.466 13.635 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -5.541 7.917 12.673 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.099 4.247 12.043 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.534 4.065 11.216 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.583 4.488 12.944 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.908 7.487 13.125 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.572 7.359 11.382 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.777 5.886 12.359 1.00 0.00 H new ATOM 1701 N LEU A 111 -3.213 6.469 9.143 1.00 0.00 N ATOM 1702 CA LEU A 111 -2.595 5.918 7.937 1.00 0.00 C ATOM 1703 C LEU A 111 -1.077 5.869 8.074 1.00 0.00 C ATOM 1704 O LEU A 111 -0.441 4.880 7.709 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.954 6.767 6.716 1.00 0.00 C ATOM 1706 CG LEU A 111 -4.307 6.467 6.070 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -4.701 7.600 5.132 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -4.266 5.141 5.321 1.00 0.00 C ATOM 0 H LEU A 111 -3.852 7.246 8.972 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.976 4.905 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.938 7.817 7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.176 6.634 5.964 1.00 0.00 H new ATOM 0 HG LEU A 111 -5.057 6.387 6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.666 7.377 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.772 8.531 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.947 7.705 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.239 4.948 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.507 5.187 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.023 4.338 6.016 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.504 6.948 8.600 1.00 0.00 N ATOM 1721 CA GLN A 112 0.940 7.035 8.779 1.00 0.00 C ATOM 1722 C GLN A 112 1.411 6.102 9.889 1.00 0.00 C ATOM 1723 O GLN A 112 2.527 5.584 9.846 1.00 0.00 O ATOM 1724 CB GLN A 112 1.353 8.475 9.093 1.00 0.00 C ATOM 1725 CG GLN A 112 0.716 9.031 10.356 1.00 0.00 C ATOM 1726 CD GLN A 112 1.714 9.212 11.484 1.00 0.00 C ATOM 1727 OE1 GLN A 112 2.529 10.135 11.466 1.00 0.00 O ATOM 1728 NE2 GLN A 112 1.653 8.331 12.475 1.00 0.00 N ATOM 0 H GLN A 112 -1.018 7.773 8.909 1.00 0.00 H new ATOM 0 HA GLN A 112 1.414 6.726 7.847 1.00 0.00 H new ATOM 0 HB2 GLN A 112 2.437 8.519 9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.085 9.113 8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.250 9.990 10.131 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.078 8.360 10.683 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.962 7.582 12.449 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.298 8.403 13.262 1.00 0.00 H new ATOM 1737 N GLY A 113 0.552 5.890 10.880 1.00 0.00 N ATOM 1738 CA GLY A 113 0.899 5.016 11.986 1.00 0.00 C ATOM 1739 C GLY A 113 -0.308 4.295 12.552 1.00 0.00 C ATOM 1740 O GLY A 113 -0.338 3.048 12.488 1.00 0.00 O ATOM 1741 OXT GLY A 113 -1.222 4.976 13.061 1.00 0.00 O ATOM 0 H GLY A 113 -0.377 6.307 10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.632 4.283 11.650 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.372 5.602 12.774 1.00 0.00 H new TER 1745 GLY A 113