USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=24 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+ 176:sc= -0.128 (180deg=-0.15) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 54:sc= 0.896 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.709 K(o=-0.71,f=-1.8) USER MOD Single : A 7 HIS : no HD1:sc= -0.0501 X(o=-0.05,f=-0.13) USER MOD Single : A 8 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.61) USER MOD Single : A 9 HIS : no HD1:sc= -0.825 X(o=-0.82,f=-0.46) USER MOD Single : A 10 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.3) USER MOD Single : A 11 HIS : no HE2:sc= 0.0361 K(o=0.036,f=-1.7) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.11) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.096) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -93:sc= 0.0725 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -0.863 (180deg=-1.08) USER MOD Single : A 46 CYS SG : rot 60:sc= -1.63! USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 48 SER OG : rot 67:sc= 0.691 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0156 K(o=-0.016,f=-1.1) USER MOD Single : A 58 CYS SG : rot 143:sc= 0.547 USER MOD Single : A 61 ASN : amide:sc= -0.092 X(o=-0.092,f=-0.55) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00547 USER MOD Single : A 66 TYR OH : rot -69:sc= -12.1! USER MOD Single : A 67 MET CE :methyl -147:sc= -0.396 (180deg=-0.62) USER MOD Single : A 71 HIS : no HD1:sc= -0.965 X(o=-0.97,f=-0.57) USER MOD Single : A 74 CYS SG : rot 180:sc= -1.79! USER MOD Single : A 75 THR OG1 : rot 180:sc=-0.000588 USER MOD Single : A 76 THR OG1 : rot 55:sc= 0.0573 USER MOD Single : A 82 SER OG : rot 38:sc= 0.749 USER MOD Single : A 90 HIS : no HD1:sc= -0.379 K(o=-0.38,f=-2.5!) USER MOD Single : A 92 MET CE :methyl -155:sc= -0.0474 (180deg=-0.6) USER MOD Single : A 96 SER OG : rot -130:sc= -2.14 USER MOD Single : A 104 GLN : amide:sc= -0.398 K(o=-0.4,f=-2.2!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 24:sc= 0.908 USER MOD Single : A 112 GLN : amide:sc= -0.555 K(o=-0.56,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.242 -22.287 4.592 1.00 0.00 N ATOM 2 CA MET A 1 28.819 -23.402 3.703 1.00 0.00 C ATOM 3 C MET A 1 28.087 -22.886 2.466 1.00 0.00 C ATOM 4 O MET A 1 27.512 -23.667 1.707 1.00 0.00 O ATOM 5 CB MET A 1 27.910 -24.341 4.501 1.00 0.00 C ATOM 6 CG MET A 1 28.534 -25.696 4.783 1.00 0.00 C ATOM 7 SD MET A 1 27.350 -26.876 5.460 1.00 0.00 S ATOM 8 CE MET A 1 26.710 -27.612 3.957 1.00 0.00 C ATOM 0 H1 MET A 1 29.675 -22.675 5.454 1.00 0.00 H new ATOM 0 H2 MET A 1 29.934 -21.690 4.095 1.00 0.00 H new ATOM 0 H3 MET A 1 28.413 -21.714 4.849 1.00 0.00 H new ATOM 0 HA MET A 1 29.705 -23.935 3.356 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.651 -23.865 5.447 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.980 -24.486 3.952 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.955 -26.097 3.861 1.00 0.00 H new ATOM 0 HG3 MET A 1 29.360 -25.573 5.483 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.964 -28.365 4.210 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.251 -26.839 3.340 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.525 -28.080 3.405 1.00 0.00 H new ATOM 20 N GLY A 2 28.108 -21.572 2.264 1.00 0.00 N ATOM 21 CA GLY A 2 27.439 -20.990 1.115 1.00 0.00 C ATOM 22 C GLY A 2 27.979 -21.518 -0.201 1.00 0.00 C ATOM 23 O GLY A 2 29.126 -21.957 -0.276 1.00 0.00 O ATOM 0 H GLY A 2 28.575 -20.901 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 2 26.371 -21.199 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 2 27.553 -19.906 1.142 1.00 0.00 H new ATOM 27 N SER A 3 27.149 -21.476 -1.241 1.00 0.00 N ATOM 28 CA SER A 3 27.550 -21.954 -2.561 1.00 0.00 C ATOM 29 C SER A 3 27.678 -20.798 -3.548 1.00 0.00 C ATOM 30 O SER A 3 28.436 -20.875 -4.516 1.00 0.00 O ATOM 31 CB SER A 3 26.542 -22.976 -3.087 1.00 0.00 C ATOM 32 OG SER A 3 26.779 -23.267 -4.452 1.00 0.00 O ATOM 0 H SER A 3 26.196 -21.116 -1.195 1.00 0.00 H new ATOM 0 HA SER A 3 28.525 -22.432 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.607 -23.892 -2.500 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.530 -22.590 -2.964 1.00 0.00 H new ATOM 0 HG SER A 3 26.123 -23.924 -4.765 1.00 0.00 H new ATOM 38 N SER A 4 26.932 -19.726 -3.299 1.00 0.00 N ATOM 39 CA SER A 4 26.962 -18.555 -4.167 1.00 0.00 C ATOM 40 C SER A 4 26.072 -17.447 -3.614 1.00 0.00 C ATOM 41 O SER A 4 25.218 -17.692 -2.762 1.00 0.00 O ATOM 42 CB SER A 4 26.512 -18.927 -5.581 1.00 0.00 C ATOM 43 OG SER A 4 27.625 -19.133 -6.434 1.00 0.00 O ATOM 0 H SER A 4 26.299 -19.645 -2.503 1.00 0.00 H new ATOM 0 HA SER A 4 27.988 -18.190 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 4 25.904 -19.831 -5.546 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.882 -18.135 -5.985 1.00 0.00 H new ATOM 0 HG SER A 4 28.231 -19.788 -6.029 1.00 0.00 H new ATOM 49 N HIS A 5 26.277 -16.230 -4.105 1.00 0.00 N ATOM 50 CA HIS A 5 25.492 -15.085 -3.661 1.00 0.00 C ATOM 51 C HIS A 5 24.956 -14.303 -4.854 1.00 0.00 C ATOM 52 O HIS A 5 25.718 -13.692 -5.602 1.00 0.00 O ATOM 53 CB HIS A 5 26.339 -14.170 -2.777 1.00 0.00 C ATOM 54 CG HIS A 5 26.842 -14.836 -1.535 1.00 0.00 C ATOM 55 ND1 HIS A 5 26.018 -15.221 -0.499 1.00 0.00 N ATOM 56 CD2 HIS A 5 28.097 -15.186 -1.161 1.00 0.00 C ATOM 57 CE1 HIS A 5 26.740 -15.777 0.457 1.00 0.00 C ATOM 58 NE2 HIS A 5 28.005 -15.769 0.079 1.00 0.00 N ATOM 0 H HIS A 5 26.980 -16.011 -4.811 1.00 0.00 H new ATOM 0 HA HIS A 5 24.648 -15.457 -3.081 1.00 0.00 H new ATOM 0 HB2 HIS A 5 27.189 -13.806 -3.354 1.00 0.00 H new ATOM 0 HB3 HIS A 5 25.747 -13.298 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 5 29.001 -15.035 -1.732 1.00 0.00 H new ATOM 0 HE1 HIS A 5 26.361 -16.171 1.388 1.00 0.00 H new ATOM 0 HE2 HIS A 5 28.787 -16.136 0.620 1.00 0.00 H new ATOM 67 N HIS A 6 23.638 -14.326 -5.027 1.00 0.00 N ATOM 68 CA HIS A 6 22.999 -13.616 -6.129 1.00 0.00 C ATOM 69 C HIS A 6 22.680 -12.176 -5.736 1.00 0.00 C ATOM 70 O HIS A 6 21.567 -11.694 -5.948 1.00 0.00 O ATOM 71 CB HIS A 6 21.720 -14.341 -6.552 1.00 0.00 C ATOM 72 CG HIS A 6 21.120 -13.811 -7.817 1.00 0.00 C ATOM 73 ND1 HIS A 6 21.661 -12.760 -8.525 1.00 0.00 N ATOM 74 CD2 HIS A 6 20.017 -14.195 -8.503 1.00 0.00 C ATOM 75 CE1 HIS A 6 20.919 -12.517 -9.590 1.00 0.00 C ATOM 76 NE2 HIS A 6 19.915 -13.374 -9.601 1.00 0.00 N ATOM 0 H HIS A 6 22.992 -14.829 -4.418 1.00 0.00 H new ATOM 0 HA HIS A 6 23.692 -13.596 -6.970 1.00 0.00 H new ATOM 0 HB2 HIS A 6 21.939 -15.401 -6.680 1.00 0.00 H new ATOM 0 HB3 HIS A 6 20.986 -14.262 -5.751 1.00 0.00 H new ATOM 0 HD2 HIS A 6 19.344 -14.996 -8.237 1.00 0.00 H new ATOM 0 HE1 HIS A 6 21.102 -11.748 -10.326 1.00 0.00 H new ATOM 0 HE2 HIS A 6 19.182 -13.420 -10.309 1.00 0.00 H new ATOM 85 N HIS A 7 23.666 -11.494 -5.160 1.00 0.00 N ATOM 86 CA HIS A 7 23.496 -10.110 -4.735 1.00 0.00 C ATOM 87 C HIS A 7 22.429 -9.999 -3.649 1.00 0.00 C ATOM 88 O HIS A 7 21.243 -10.202 -3.906 1.00 0.00 O ATOM 89 CB HIS A 7 23.124 -9.229 -5.930 1.00 0.00 C ATOM 90 CG HIS A 7 24.119 -8.144 -6.199 1.00 0.00 C ATOM 91 ND1 HIS A 7 25.478 -8.369 -6.268 1.00 0.00 N ATOM 92 CD2 HIS A 7 23.951 -6.818 -6.418 1.00 0.00 C ATOM 93 CE1 HIS A 7 26.102 -7.231 -6.515 1.00 0.00 C ATOM 94 NE2 HIS A 7 25.197 -6.274 -6.610 1.00 0.00 N ATOM 0 H HIS A 7 24.593 -11.879 -4.977 1.00 0.00 H new ATOM 0 HA HIS A 7 24.443 -9.764 -4.321 1.00 0.00 H new ATOM 0 HB2 HIS A 7 23.030 -9.854 -6.818 1.00 0.00 H new ATOM 0 HB3 HIS A 7 22.147 -8.780 -5.751 1.00 0.00 H new ATOM 0 HD2 HIS A 7 23.011 -6.287 -6.438 1.00 0.00 H new ATOM 0 HE1 HIS A 7 27.169 -7.105 -6.621 1.00 0.00 H new ATOM 0 HE2 HIS A 7 25.392 -5.290 -6.796 1.00 0.00 H new ATOM 103 N HIS A 8 22.864 -9.675 -2.434 1.00 0.00 N ATOM 104 CA HIS A 8 21.949 -9.533 -1.308 1.00 0.00 C ATOM 105 C HIS A 8 21.199 -10.837 -1.048 1.00 0.00 C ATOM 106 O HIS A 8 20.035 -10.980 -1.423 1.00 0.00 O ATOM 107 CB HIS A 8 20.955 -8.402 -1.572 1.00 0.00 C ATOM 108 CG HIS A 8 20.305 -7.872 -0.332 1.00 0.00 C ATOM 109 ND1 HIS A 8 20.656 -8.282 0.936 1.00 0.00 N ATOM 110 CD2 HIS A 8 19.319 -6.957 -0.169 1.00 0.00 C ATOM 111 CE1 HIS A 8 19.916 -7.646 1.826 1.00 0.00 C ATOM 112 NE2 HIS A 8 19.097 -6.835 1.182 1.00 0.00 N ATOM 0 H HIS A 8 23.844 -9.506 -2.205 1.00 0.00 H new ATOM 0 HA HIS A 8 22.536 -9.291 -0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 8 21.472 -7.586 -2.078 1.00 0.00 H new ATOM 0 HB3 HIS A 8 20.182 -8.760 -2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 8 18.804 -6.423 -0.954 1.00 0.00 H new ATOM 0 HE1 HIS A 8 19.971 -7.768 2.898 1.00 0.00 H new ATOM 0 HE2 HIS A 8 18.411 -6.218 1.617 1.00 0.00 H new ATOM 121 N HIS A 9 21.873 -11.783 -0.402 1.00 0.00 N ATOM 122 CA HIS A 9 21.270 -13.074 -0.093 1.00 0.00 C ATOM 123 C HIS A 9 20.723 -13.093 1.332 1.00 0.00 C ATOM 124 O HIS A 9 20.902 -14.066 2.064 1.00 0.00 O ATOM 125 CB HIS A 9 22.293 -14.197 -0.274 1.00 0.00 C ATOM 126 CG HIS A 9 21.704 -15.568 -0.154 1.00 0.00 C ATOM 127 ND1 HIS A 9 22.467 -16.715 -0.099 1.00 0.00 N ATOM 128 CD2 HIS A 9 20.414 -15.975 -0.077 1.00 0.00 C ATOM 129 CE1 HIS A 9 21.676 -17.767 0.006 1.00 0.00 C ATOM 130 NE2 HIS A 9 20.425 -17.345 0.022 1.00 0.00 N ATOM 0 H HIS A 9 22.836 -11.680 -0.083 1.00 0.00 H new ATOM 0 HA HIS A 9 20.442 -13.233 -0.783 1.00 0.00 H new ATOM 0 HB2 HIS A 9 22.762 -14.096 -1.253 1.00 0.00 H new ATOM 0 HB3 HIS A 9 23.081 -14.083 0.470 1.00 0.00 H new ATOM 0 HD2 HIS A 9 19.540 -15.341 -0.091 1.00 0.00 H new ATOM 0 HE1 HIS A 9 21.997 -18.796 0.068 1.00 0.00 H new ATOM 0 HE2 HIS A 9 19.600 -17.940 0.096 1.00 0.00 H new ATOM 139 N HIS A 10 20.054 -12.011 1.717 1.00 0.00 N ATOM 140 CA HIS A 10 19.480 -11.903 3.053 1.00 0.00 C ATOM 141 C HIS A 10 17.955 -11.959 2.997 1.00 0.00 C ATOM 142 O HIS A 10 17.273 -11.417 3.866 1.00 0.00 O ATOM 143 CB HIS A 10 19.933 -10.601 3.721 1.00 0.00 C ATOM 144 CG HIS A 10 20.775 -10.813 4.942 1.00 0.00 C ATOM 145 ND1 HIS A 10 21.128 -9.793 5.799 1.00 0.00 N ATOM 146 CD2 HIS A 10 21.335 -11.937 5.450 1.00 0.00 C ATOM 147 CE1 HIS A 10 21.869 -10.276 6.780 1.00 0.00 C ATOM 148 NE2 HIS A 10 22.009 -11.576 6.592 1.00 0.00 N ATOM 0 H HIS A 10 19.896 -11.197 1.123 1.00 0.00 H new ATOM 0 HA HIS A 10 19.834 -12.748 3.644 1.00 0.00 H new ATOM 0 HB2 HIS A 10 20.497 -10.010 3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 10 19.054 -10.017 3.993 1.00 0.00 H new ATOM 0 HD2 HIS A 10 21.265 -12.932 5.035 1.00 0.00 H new ATOM 0 HE1 HIS A 10 22.288 -9.706 7.596 1.00 0.00 H new ATOM 0 HE2 HIS A 10 22.532 -12.209 7.196 1.00 0.00 H new ATOM 157 N HIS A 11 17.427 -12.618 1.969 1.00 0.00 N ATOM 158 CA HIS A 11 15.983 -12.745 1.802 1.00 0.00 C ATOM 159 C HIS A 11 15.553 -14.206 1.866 1.00 0.00 C ATOM 160 O HIS A 11 16.101 -15.057 1.166 1.00 0.00 O ATOM 161 CB HIS A 11 15.548 -12.131 0.470 1.00 0.00 C ATOM 162 CG HIS A 11 16.258 -12.707 -0.715 1.00 0.00 C ATOM 163 ND1 HIS A 11 17.554 -12.375 -1.051 1.00 0.00 N ATOM 164 CD2 HIS A 11 15.849 -13.599 -1.648 1.00 0.00 C ATOM 165 CE1 HIS A 11 17.911 -13.036 -2.137 1.00 0.00 C ATOM 166 NE2 HIS A 11 16.894 -13.787 -2.519 1.00 0.00 N ATOM 0 H HIS A 11 17.977 -13.072 1.240 1.00 0.00 H new ATOM 0 HA HIS A 11 15.500 -12.208 2.618 1.00 0.00 H new ATOM 0 HB2 HIS A 11 14.475 -12.276 0.346 1.00 0.00 H new ATOM 0 HB3 HIS A 11 15.723 -11.056 0.501 1.00 0.00 H new ATOM 0 HD1 HIS A 11 18.145 -11.720 -0.540 1.00 0.00 H new ATOM 0 HD2 HIS A 11 14.881 -14.074 -1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 11 18.871 -12.973 -2.629 1.00 0.00 H new ATOM 175 N HIS A 12 14.569 -14.491 2.713 1.00 0.00 N ATOM 176 CA HIS A 12 14.064 -15.851 2.869 1.00 0.00 C ATOM 177 C HIS A 12 12.541 -15.861 2.966 1.00 0.00 C ATOM 178 O HIS A 12 11.955 -16.742 3.595 1.00 0.00 O ATOM 179 CB HIS A 12 14.675 -16.502 4.112 1.00 0.00 C ATOM 180 CG HIS A 12 15.262 -17.856 3.855 1.00 0.00 C ATOM 181 ND1 HIS A 12 16.619 -18.092 3.801 1.00 0.00 N ATOM 182 CD2 HIS A 12 14.667 -19.054 3.636 1.00 0.00 C ATOM 183 CE1 HIS A 12 16.836 -19.373 3.561 1.00 0.00 C ATOM 184 NE2 HIS A 12 15.667 -19.978 3.458 1.00 0.00 N ATOM 0 H HIS A 12 14.106 -13.799 3.302 1.00 0.00 H new ATOM 0 HA HIS A 12 14.353 -16.424 1.988 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.452 -15.848 4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 12 13.907 -16.588 4.881 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.605 -19.246 3.607 1.00 0.00 H new ATOM 0 HE1 HIS A 12 17.803 -19.844 3.466 1.00 0.00 H new ATOM 0 HE2 HIS A 12 15.529 -20.972 3.276 1.00 0.00 H new ATOM 193 N GLU A 13 11.905 -14.877 2.337 1.00 0.00 N ATOM 194 CA GLU A 13 10.451 -14.773 2.350 1.00 0.00 C ATOM 195 C GLU A 13 9.854 -15.382 1.082 1.00 0.00 C ATOM 196 O GLU A 13 10.582 -15.845 0.204 1.00 0.00 O ATOM 197 CB GLU A 13 10.023 -13.308 2.483 1.00 0.00 C ATOM 198 CG GLU A 13 9.739 -12.885 3.916 1.00 0.00 C ATOM 199 CD GLU A 13 9.623 -11.380 4.068 1.00 0.00 C ATOM 200 OE1 GLU A 13 8.558 -10.828 3.720 1.00 0.00 O ATOM 201 OE2 GLU A 13 10.597 -10.754 4.536 1.00 0.00 O ATOM 0 H GLU A 13 12.375 -14.140 1.812 1.00 0.00 H new ATOM 0 HA GLU A 13 10.077 -15.329 3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.806 -12.671 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.130 -13.143 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.814 -13.353 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.535 -13.252 4.564 1.00 0.00 H new ATOM 208 N ASN A 14 8.526 -15.385 0.995 1.00 0.00 N ATOM 209 CA ASN A 14 7.837 -15.945 -0.165 1.00 0.00 C ATOM 210 C ASN A 14 8.102 -15.110 -1.421 1.00 0.00 C ATOM 211 O ASN A 14 9.058 -15.370 -2.152 1.00 0.00 O ATOM 212 CB ASN A 14 6.331 -16.042 0.112 1.00 0.00 C ATOM 213 CG ASN A 14 5.886 -17.464 0.396 1.00 0.00 C ATOM 214 OD1 ASN A 14 5.167 -17.720 1.362 1.00 0.00 O ATOM 215 ND2 ASN A 14 6.310 -18.398 -0.447 1.00 0.00 N ATOM 0 H ASN A 14 7.907 -15.007 1.712 1.00 0.00 H new ATOM 0 HA ASN A 14 8.227 -16.947 -0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.079 -15.409 0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.781 -15.657 -0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.041 -19.372 -0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.905 -18.142 -1.235 1.00 0.00 H new ATOM 222 N LEU A 15 7.259 -14.105 -1.663 1.00 0.00 N ATOM 223 CA LEU A 15 7.409 -13.230 -2.825 1.00 0.00 C ATOM 224 C LEU A 15 6.279 -12.203 -2.874 1.00 0.00 C ATOM 225 O LEU A 15 5.627 -12.033 -3.901 1.00 0.00 O ATOM 226 CB LEU A 15 7.428 -14.040 -4.131 1.00 0.00 C ATOM 227 CG LEU A 15 8.109 -13.343 -5.320 1.00 0.00 C ATOM 228 CD1 LEU A 15 9.110 -14.272 -5.996 1.00 0.00 C ATOM 229 CD2 LEU A 15 7.076 -12.856 -6.329 1.00 0.00 C ATOM 0 H LEU A 15 6.463 -13.877 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 15 8.362 -12.710 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.935 -14.987 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.401 -14.277 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 15 8.649 -12.478 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.578 -13.755 -6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.876 -14.566 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.594 -15.160 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.583 -12.366 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.503 -13.705 -6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.402 -12.148 -5.847 1.00 0.00 H new ATOM 241 N TYR A 16 6.053 -11.519 -1.758 1.00 0.00 N ATOM 242 CA TYR A 16 5.002 -10.509 -1.693 1.00 0.00 C ATOM 243 C TYR A 16 5.569 -9.131 -2.007 1.00 0.00 C ATOM 244 O TYR A 16 5.887 -8.354 -1.105 1.00 0.00 O ATOM 245 CB TYR A 16 4.332 -10.507 -0.316 1.00 0.00 C ATOM 246 CG TYR A 16 3.047 -9.707 -0.266 1.00 0.00 C ATOM 247 CD1 TYR A 16 3.071 -8.320 -0.171 1.00 0.00 C ATOM 248 CD2 TYR A 16 1.810 -10.338 -0.311 1.00 0.00 C ATOM 249 CE1 TYR A 16 1.900 -7.587 -0.123 1.00 0.00 C ATOM 250 CE2 TYR A 16 0.635 -9.612 -0.263 1.00 0.00 C ATOM 251 CZ TYR A 16 0.686 -8.237 -0.170 1.00 0.00 C ATOM 252 OH TYR A 16 -0.482 -7.510 -0.122 1.00 0.00 O ATOM 0 H TYR A 16 6.578 -11.643 -0.892 1.00 0.00 H new ATOM 0 HA TYR A 16 4.247 -10.755 -2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.121 -11.535 -0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.030 -10.103 0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.021 -7.807 -0.134 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.766 -11.415 -0.385 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.936 -6.510 -0.049 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.318 -10.119 -0.298 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.248 -8.119 -0.166 1.00 0.00 H new ATOM 262 N PHE A 17 5.700 -8.838 -3.296 1.00 0.00 N ATOM 263 CA PHE A 17 6.231 -7.559 -3.745 1.00 0.00 C ATOM 264 C PHE A 17 5.835 -7.288 -5.192 1.00 0.00 C ATOM 265 O PHE A 17 6.637 -6.795 -5.985 1.00 0.00 O ATOM 266 CB PHE A 17 7.755 -7.538 -3.608 1.00 0.00 C ATOM 267 CG PHE A 17 8.315 -6.161 -3.409 1.00 0.00 C ATOM 268 CD1 PHE A 17 8.277 -5.556 -2.163 1.00 0.00 C ATOM 269 CD2 PHE A 17 8.874 -5.466 -4.470 1.00 0.00 C ATOM 270 CE1 PHE A 17 8.787 -4.286 -1.977 1.00 0.00 C ATOM 271 CE2 PHE A 17 9.385 -4.195 -4.291 1.00 0.00 C ATOM 272 CZ PHE A 17 9.341 -3.604 -3.043 1.00 0.00 C ATOM 0 H PHE A 17 5.444 -9.474 -4.051 1.00 0.00 H new ATOM 0 HA PHE A 17 5.808 -6.776 -3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.046 -8.166 -2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.199 -7.977 -4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.843 -6.084 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.911 -5.923 -5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.753 -3.827 -1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.818 -3.664 -5.126 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.739 -2.610 -2.901 1.00 0.00 H new ATOM 282 N GLN A 18 4.592 -7.617 -5.531 1.00 0.00 N ATOM 283 CA GLN A 18 4.089 -7.410 -6.884 1.00 0.00 C ATOM 284 C GLN A 18 3.843 -5.929 -7.150 1.00 0.00 C ATOM 285 O GLN A 18 4.553 -5.303 -7.938 1.00 0.00 O ATOM 286 CB GLN A 18 2.796 -8.199 -7.104 1.00 0.00 C ATOM 287 CG GLN A 18 2.833 -9.612 -6.544 1.00 0.00 C ATOM 288 CD GLN A 18 1.579 -9.962 -5.764 1.00 0.00 C ATOM 289 OE1 GLN A 18 0.964 -11.003 -5.989 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.196 -9.088 -4.841 1.00 0.00 N ATOM 0 H GLN A 18 3.915 -8.028 -4.888 1.00 0.00 H new ATOM 0 HA GLN A 18 4.846 -7.769 -7.582 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.969 -7.658 -6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.589 -8.248 -8.173 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.957 -10.321 -7.363 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.702 -9.719 -5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.737 -8.237 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.360 -9.267 -4.284 1.00 0.00 H new ATOM 299 N GLY A 19 2.833 -5.375 -6.487 1.00 0.00 N ATOM 300 CA GLY A 19 2.512 -3.971 -6.665 1.00 0.00 C ATOM 301 C GLY A 19 3.665 -3.064 -6.285 1.00 0.00 C ATOM 302 O GLY A 19 4.598 -2.876 -7.066 1.00 0.00 O ATOM 0 H GLY A 19 2.232 -5.873 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.240 -3.792 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.641 -3.720 -6.060 1.00 0.00 H new ATOM 306 N SER A 20 3.605 -2.501 -5.082 1.00 0.00 N ATOM 307 CA SER A 20 4.657 -1.610 -4.604 1.00 0.00 C ATOM 308 C SER A 20 4.626 -1.494 -3.083 1.00 0.00 C ATOM 309 O SER A 20 5.622 -1.760 -2.410 1.00 0.00 O ATOM 310 CB SER A 20 4.509 -0.226 -5.241 1.00 0.00 C ATOM 311 OG SER A 20 5.573 0.040 -6.138 1.00 0.00 O ATOM 0 H SER A 20 2.841 -2.645 -4.422 1.00 0.00 H new ATOM 0 HA SER A 20 5.618 -2.034 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.559 -0.166 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.487 0.536 -4.462 1.00 0.00 H new ATOM 0 HG SER A 20 5.454 0.929 -6.532 1.00 0.00 H new ATOM 317 N LYS A 21 3.477 -1.095 -2.548 1.00 0.00 N ATOM 318 CA LYS A 21 3.317 -0.944 -1.107 1.00 0.00 C ATOM 319 C LYS A 21 1.913 -1.352 -0.676 1.00 0.00 C ATOM 320 O LYS A 21 1.707 -2.446 -0.149 1.00 0.00 O ATOM 321 CB LYS A 21 3.600 0.502 -0.688 1.00 0.00 C ATOM 322 CG LYS A 21 4.724 0.633 0.324 1.00 0.00 C ATOM 323 CD LYS A 21 4.492 1.807 1.262 1.00 0.00 C ATOM 324 CE LYS A 21 4.961 3.114 0.645 1.00 0.00 C ATOM 325 NZ LYS A 21 6.238 3.585 1.249 1.00 0.00 N ATOM 0 H LYS A 21 2.643 -0.870 -3.091 1.00 0.00 H new ATOM 0 HA LYS A 21 4.034 -1.599 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.850 1.086 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.692 0.934 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.803 -0.287 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.672 0.764 -0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.431 1.877 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.021 1.635 2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.094 2.982 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.193 3.876 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.525 4.479 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.105 3.736 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.978 2.870 1.099 1.00 0.00 H new ATOM 339 N ARG A 22 0.951 -0.462 -0.895 1.00 0.00 N ATOM 340 CA ARG A 22 -0.432 -0.724 -0.527 1.00 0.00 C ATOM 341 C ARG A 22 -1.360 -0.512 -1.717 1.00 0.00 C ATOM 342 O ARG A 22 -1.026 0.215 -2.652 1.00 0.00 O ATOM 343 CB ARG A 22 -0.855 0.197 0.617 1.00 0.00 C ATOM 344 CG ARG A 22 0.117 0.216 1.785 1.00 0.00 C ATOM 345 CD ARG A 22 -0.612 0.219 3.121 1.00 0.00 C ATOM 346 NE ARG A 22 -0.367 1.446 3.877 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.671 1.597 5.163 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.221 0.599 5.845 1.00 0.00 N ATOM 349 NH2 ARG A 22 -0.422 2.749 5.770 1.00 0.00 N ATOM 0 H ARG A 22 1.106 0.449 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.505 -1.763 -0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.965 1.211 0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.835 -0.115 0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.771 -0.654 1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.753 1.098 1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.683 0.107 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.292 -0.640 3.711 1.00 0.00 H new ATOM 0 HE ARG A 22 0.062 2.233 3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.413 -0.290 5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.452 0.721 6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.002 3.518 5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.655 2.867 6.756 1.00 0.00 H new ATOM 363 N LYS A 23 -2.518 -1.158 -1.679 1.00 0.00 N ATOM 364 CA LYS A 23 -3.492 -1.040 -2.756 1.00 0.00 C ATOM 365 C LYS A 23 -4.894 -0.820 -2.191 1.00 0.00 C ATOM 366 O LYS A 23 -5.435 -1.688 -1.509 1.00 0.00 O ATOM 367 CB LYS A 23 -3.458 -2.294 -3.634 1.00 0.00 C ATOM 368 CG LYS A 23 -2.275 -2.329 -4.591 1.00 0.00 C ATOM 369 CD LYS A 23 -2.561 -3.183 -5.816 1.00 0.00 C ATOM 370 CE LYS A 23 -1.278 -3.551 -6.545 1.00 0.00 C ATOM 371 NZ LYS A 23 -1.520 -3.862 -7.982 1.00 0.00 N ATOM 0 H LYS A 23 -2.806 -1.769 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.233 -0.176 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.425 -3.176 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.383 -2.352 -4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.032 -1.314 -4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.400 -2.720 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.084 -4.091 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.224 -2.643 -6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.568 -2.727 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.820 -4.413 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.619 -4.107 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.177 -4.665 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.933 -3.031 -8.452 1.00 0.00 H new ATOM 385 N ILE A 24 -5.476 0.349 -2.465 1.00 0.00 N ATOM 386 CA ILE A 24 -6.816 0.670 -1.969 1.00 0.00 C ATOM 387 C ILE A 24 -7.871 0.399 -3.040 1.00 0.00 C ATOM 388 O ILE A 24 -7.618 0.606 -4.224 1.00 0.00 O ATOM 389 CB ILE A 24 -6.930 2.144 -1.522 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.674 2.589 -0.767 1.00 0.00 C ATOM 391 CG2 ILE A 24 -8.165 2.335 -0.652 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.430 4.082 -0.831 1.00 0.00 C ATOM 0 H ILE A 24 -5.044 1.085 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.989 0.028 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.025 2.764 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.761 2.287 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.809 2.069 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.235 3.378 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.055 2.064 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.090 1.699 0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.525 4.327 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.311 4.387 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.278 4.608 -0.393 1.00 0.00 H new ATOM 404 N ILE A 25 -9.061 -0.047 -2.626 1.00 0.00 N ATOM 405 CA ILE A 25 -10.146 -0.329 -3.566 1.00 0.00 C ATOM 406 C ILE A 25 -11.329 0.591 -3.326 1.00 0.00 C ATOM 407 O ILE A 25 -11.634 0.946 -2.188 1.00 0.00 O ATOM 408 CB ILE A 25 -10.649 -1.785 -3.472 1.00 0.00 C ATOM 409 CG1 ILE A 25 -9.521 -2.712 -3.034 1.00 0.00 C ATOM 410 CG2 ILE A 25 -11.218 -2.236 -4.810 1.00 0.00 C ATOM 411 CD1 ILE A 25 -8.341 -2.649 -3.964 1.00 0.00 C ATOM 0 H ILE A 25 -9.295 -0.220 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.727 -0.163 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.441 -1.830 -2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.202 -2.443 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.891 -3.736 -2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.569 -3.265 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.051 -1.590 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.443 -2.177 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.563 -3.326 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.652 -2.944 -4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.952 -1.631 -3.990 1.00 0.00 H new ATOM 423 N VAL A 26 -12.007 0.955 -4.401 1.00 0.00 N ATOM 424 CA VAL A 26 -13.177 1.816 -4.305 1.00 0.00 C ATOM 425 C VAL A 26 -14.364 1.182 -5.029 1.00 0.00 C ATOM 426 O VAL A 26 -14.316 0.954 -6.238 1.00 0.00 O ATOM 427 CB VAL A 26 -12.897 3.218 -4.885 1.00 0.00 C ATOM 428 CG1 VAL A 26 -12.384 3.113 -6.312 1.00 0.00 C ATOM 429 CG2 VAL A 26 -14.142 4.094 -4.817 1.00 0.00 C ATOM 0 H VAL A 26 -11.769 0.669 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.418 1.929 -3.248 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.124 3.689 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.192 4.112 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.460 2.535 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.131 2.617 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.918 5.077 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.944 3.631 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.455 4.201 -3.778 1.00 0.00 H new ATOM 439 N ALA A 27 -15.425 0.889 -4.279 1.00 0.00 N ATOM 440 CA ALA A 27 -16.616 0.273 -4.853 1.00 0.00 C ATOM 441 C ALA A 27 -17.825 1.192 -4.760 1.00 0.00 C ATOM 442 O ALA A 27 -18.189 1.652 -3.679 1.00 0.00 O ATOM 443 CB ALA A 27 -16.910 -1.060 -4.175 1.00 0.00 C ATOM 0 H ALA A 27 -15.483 1.068 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.415 0.095 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.802 -1.504 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.063 -1.733 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.075 -0.898 -3.110 1.00 0.00 H new ATOM 449 N CYS A 28 -18.434 1.467 -5.910 1.00 0.00 N ATOM 450 CA CYS A 28 -19.597 2.346 -5.959 1.00 0.00 C ATOM 451 C CYS A 28 -19.262 3.699 -5.335 1.00 0.00 C ATOM 452 O CYS A 28 -18.093 3.994 -5.076 1.00 0.00 O ATOM 453 CB CYS A 28 -20.777 1.702 -5.228 1.00 0.00 C ATOM 454 SG CYS A 28 -21.815 0.662 -6.280 1.00 0.00 S ATOM 0 H CYS A 28 -18.144 1.096 -6.815 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.875 2.502 -7.001 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -20.395 1.100 -4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -21.393 2.488 -4.791 1.00 0.00 H new ATOM 0 HG CYS A 28 -22.784 0.160 -5.573 1.00 0.00 H new ATOM 460 N GLY A 29 -20.279 4.521 -5.096 1.00 0.00 N ATOM 461 CA GLY A 29 -20.040 5.825 -4.506 1.00 0.00 C ATOM 462 C GLY A 29 -21.301 6.474 -3.973 1.00 0.00 C ATOM 463 O GLY A 29 -21.922 5.970 -3.038 1.00 0.00 O ATOM 0 H GLY A 29 -21.256 4.310 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.319 5.724 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.589 6.479 -5.253 1.00 0.00 H new ATOM 467 N GLY A 30 -21.672 7.600 -4.570 1.00 0.00 N ATOM 468 CA GLY A 30 -22.861 8.312 -4.144 1.00 0.00 C ATOM 469 C GLY A 30 -23.716 8.745 -5.316 1.00 0.00 C ATOM 470 O GLY A 30 -24.813 8.224 -5.520 1.00 0.00 O ATOM 0 H GLY A 30 -21.169 8.034 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -23.448 7.674 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -22.570 9.188 -3.565 1.00 0.00 H new ATOM 474 N ALA A 31 -23.213 9.701 -6.088 1.00 0.00 N ATOM 475 CA ALA A 31 -23.935 10.210 -7.247 1.00 0.00 C ATOM 476 C ALA A 31 -23.504 9.503 -8.528 1.00 0.00 C ATOM 477 O ALA A 31 -23.685 10.027 -9.626 1.00 0.00 O ATOM 478 CB ALA A 31 -23.728 11.712 -7.375 1.00 0.00 C ATOM 0 H ALA A 31 -22.306 10.140 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 31 -24.996 10.008 -7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.272 12.081 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -24.098 12.208 -6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -22.666 11.924 -7.495 1.00 0.00 H new ATOM 484 N VAL A 32 -22.929 8.312 -8.383 1.00 0.00 N ATOM 485 CA VAL A 32 -22.470 7.540 -9.532 1.00 0.00 C ATOM 486 C VAL A 32 -21.401 8.302 -10.319 1.00 0.00 C ATOM 487 O VAL A 32 -21.095 7.955 -11.459 1.00 0.00 O ATOM 488 CB VAL A 32 -23.634 7.185 -10.482 1.00 0.00 C ATOM 489 CG1 VAL A 32 -23.253 6.018 -11.381 1.00 0.00 C ATOM 490 CG2 VAL A 32 -24.897 6.862 -9.696 1.00 0.00 C ATOM 0 H VAL A 32 -22.770 7.862 -7.482 1.00 0.00 H new ATOM 0 HA VAL A 32 -22.042 6.619 -9.137 1.00 0.00 H new ATOM 0 HB VAL A 32 -23.836 8.053 -11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -24.086 5.782 -12.044 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -22.381 6.287 -11.976 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -23.019 5.148 -10.768 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -25.703 6.615 -10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -24.710 6.013 -9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -25.184 7.727 -9.098 1.00 0.00 H new ATOM 500 N ALA A 33 -20.833 9.337 -9.704 1.00 0.00 N ATOM 501 CA ALA A 33 -19.798 10.136 -10.351 1.00 0.00 C ATOM 502 C ALA A 33 -18.775 10.650 -9.339 1.00 0.00 C ATOM 503 O ALA A 33 -17.976 11.534 -9.647 1.00 0.00 O ATOM 504 CB ALA A 33 -20.422 11.299 -11.108 1.00 0.00 C ATOM 0 H ALA A 33 -21.072 9.641 -8.760 1.00 0.00 H new ATOM 0 HA ALA A 33 -19.275 9.493 -11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -19.637 11.886 -11.585 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -21.102 10.915 -11.869 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -20.975 11.931 -10.413 1.00 0.00 H new ATOM 510 N THR A 34 -18.800 10.089 -8.132 1.00 0.00 N ATOM 511 CA THR A 34 -17.870 10.489 -7.083 1.00 0.00 C ATOM 512 C THR A 34 -16.493 9.865 -7.305 1.00 0.00 C ATOM 513 O THR A 34 -15.500 10.316 -6.735 1.00 0.00 O ATOM 514 CB THR A 34 -18.409 10.072 -5.717 1.00 0.00 C ATOM 515 OG1 THR A 34 -17.543 10.500 -4.681 1.00 0.00 O ATOM 516 CG2 THR A 34 -18.582 8.576 -5.586 1.00 0.00 C ATOM 0 H THR A 34 -19.455 9.356 -7.858 1.00 0.00 H new ATOM 0 HA THR A 34 -17.768 11.574 -7.117 1.00 0.00 H new ATOM 0 HB THR A 34 -19.386 10.548 -5.629 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.908 10.224 -3.814 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.968 8.340 -4.594 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.284 8.223 -6.342 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.619 8.085 -5.727 1.00 0.00 H new ATOM 524 N SER A 35 -16.441 8.824 -8.134 1.00 0.00 N ATOM 525 CA SER A 35 -15.186 8.139 -8.430 1.00 0.00 C ATOM 526 C SER A 35 -14.106 9.136 -8.838 1.00 0.00 C ATOM 527 O SER A 35 -13.004 9.134 -8.290 1.00 0.00 O ATOM 528 CB SER A 35 -15.399 7.113 -9.545 1.00 0.00 C ATOM 529 OG SER A 35 -16.347 6.132 -9.161 1.00 0.00 O ATOM 0 H SER A 35 -17.254 8.437 -8.612 1.00 0.00 H new ATOM 0 HA SER A 35 -14.855 7.625 -7.528 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.740 7.619 -10.448 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.451 6.632 -9.787 1.00 0.00 H new ATOM 0 HG SER A 35 -16.467 5.489 -9.891 1.00 0.00 H new ATOM 535 N THR A 36 -14.436 9.990 -9.801 1.00 0.00 N ATOM 536 CA THR A 36 -13.500 10.999 -10.280 1.00 0.00 C ATOM 537 C THR A 36 -13.112 11.949 -9.153 1.00 0.00 C ATOM 538 O THR A 36 -11.929 12.164 -8.889 1.00 0.00 O ATOM 539 CB THR A 36 -14.117 11.786 -11.436 1.00 0.00 C ATOM 540 OG1 THR A 36 -15.529 11.850 -11.298 1.00 0.00 O ATOM 541 CG2 THR A 36 -13.799 11.195 -12.795 1.00 0.00 C ATOM 0 H THR A 36 -15.344 10.003 -10.265 1.00 0.00 H new ATOM 0 HA THR A 36 -12.602 10.493 -10.634 1.00 0.00 H new ATOM 0 HB THR A 36 -13.676 12.782 -11.386 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.940 11.112 -11.795 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.266 11.799 -13.573 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.719 11.184 -12.943 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.183 10.176 -12.848 1.00 0.00 H new ATOM 549 N MET A 37 -14.118 12.514 -8.488 1.00 0.00 N ATOM 550 CA MET A 37 -13.882 13.439 -7.385 1.00 0.00 C ATOM 551 C MET A 37 -12.983 12.801 -6.334 1.00 0.00 C ATOM 552 O MET A 37 -11.946 13.354 -5.970 1.00 0.00 O ATOM 553 CB MET A 37 -15.208 13.866 -6.753 1.00 0.00 C ATOM 554 CG MET A 37 -15.578 15.311 -7.042 1.00 0.00 C ATOM 555 SD MET A 37 -17.339 15.532 -7.355 1.00 0.00 S ATOM 556 CE MET A 37 -17.294 16.378 -8.933 1.00 0.00 C ATOM 0 H MET A 37 -15.103 12.347 -8.695 1.00 0.00 H new ATOM 0 HA MET A 37 -13.382 14.323 -7.781 1.00 0.00 H new ATOM 0 HB2 MET A 37 -16.002 13.215 -7.119 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.150 13.723 -5.674 1.00 0.00 H new ATOM 0 HG2 MET A 37 -15.283 15.933 -6.197 1.00 0.00 H new ATOM 0 HG3 MET A 37 -15.013 15.660 -7.907 1.00 0.00 H new ATOM 0 HE1 MET A 37 -18.312 16.586 -9.263 1.00 0.00 H new ATOM 0 HE2 MET A 37 -16.748 17.315 -8.828 1.00 0.00 H new ATOM 0 HE3 MET A 37 -16.795 15.748 -9.669 1.00 0.00 H new ATOM 566 N ALA A 38 -13.385 11.630 -5.855 1.00 0.00 N ATOM 567 CA ALA A 38 -12.607 10.915 -4.855 1.00 0.00 C ATOM 568 C ALA A 38 -11.227 10.577 -5.404 1.00 0.00 C ATOM 569 O ALA A 38 -10.208 10.926 -4.810 1.00 0.00 O ATOM 570 CB ALA A 38 -13.337 9.653 -4.419 1.00 0.00 C ATOM 0 H ALA A 38 -14.242 11.158 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.483 11.556 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.742 9.129 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.304 9.921 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.489 9.004 -5.282 1.00 0.00 H new ATOM 576 N ALA A 39 -11.209 9.907 -6.553 1.00 0.00 N ATOM 577 CA ALA A 39 -9.960 9.523 -7.203 1.00 0.00 C ATOM 578 C ALA A 39 -8.955 10.673 -7.207 1.00 0.00 C ATOM 579 O ALA A 39 -7.827 10.525 -6.736 1.00 0.00 O ATOM 580 CB ALA A 39 -10.234 9.056 -8.625 1.00 0.00 C ATOM 0 H ALA A 39 -12.049 9.618 -7.055 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.523 8.702 -6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.296 8.772 -9.102 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.905 8.197 -8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.698 9.864 -9.190 1.00 0.00 H new ATOM 586 N GLU A 40 -9.369 11.819 -7.740 1.00 0.00 N ATOM 587 CA GLU A 40 -8.500 12.989 -7.801 1.00 0.00 C ATOM 588 C GLU A 40 -8.058 13.419 -6.407 1.00 0.00 C ATOM 589 O GLU A 40 -6.926 13.861 -6.217 1.00 0.00 O ATOM 590 CB GLU A 40 -9.212 14.152 -8.497 1.00 0.00 C ATOM 591 CG GLU A 40 -8.275 15.044 -9.298 1.00 0.00 C ATOM 592 CD GLU A 40 -8.644 15.113 -10.767 1.00 0.00 C ATOM 593 OE1 GLU A 40 -8.658 14.053 -11.426 1.00 0.00 O ATOM 594 OE2 GLU A 40 -8.920 16.229 -11.257 1.00 0.00 O ATOM 0 H GLU A 40 -10.299 11.962 -8.135 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.616 12.714 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.978 13.753 -9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.723 14.756 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.289 16.049 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.255 14.672 -9.201 1.00 0.00 H new ATOM 601 N GLU A 41 -8.957 13.289 -5.436 1.00 0.00 N ATOM 602 CA GLU A 41 -8.655 13.669 -4.062 1.00 0.00 C ATOM 603 C GLU A 41 -7.641 12.715 -3.436 1.00 0.00 C ATOM 604 O GLU A 41 -6.659 13.152 -2.835 1.00 0.00 O ATOM 605 CB GLU A 41 -9.937 13.702 -3.226 1.00 0.00 C ATOM 606 CG GLU A 41 -10.973 14.685 -3.748 1.00 0.00 C ATOM 607 CD GLU A 41 -10.928 16.022 -3.031 1.00 0.00 C ATOM 608 OE1 GLU A 41 -9.983 16.244 -2.246 1.00 0.00 O ATOM 609 OE2 GLU A 41 -11.840 16.846 -3.257 1.00 0.00 O ATOM 0 H GLU A 41 -9.899 12.924 -5.576 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.216 14.667 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.373 12.703 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.685 13.963 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.812 14.844 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.967 14.252 -3.637 1.00 0.00 H new ATOM 616 N ILE A 42 -7.879 11.415 -3.578 1.00 0.00 N ATOM 617 CA ILE A 42 -6.977 10.414 -3.021 1.00 0.00 C ATOM 618 C ILE A 42 -5.622 10.446 -3.724 1.00 0.00 C ATOM 619 O ILE A 42 -4.578 10.322 -3.084 1.00 0.00 O ATOM 620 CB ILE A 42 -7.563 8.992 -3.122 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.016 8.968 -2.642 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.727 8.021 -2.306 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.695 7.631 -2.844 1.00 0.00 C ATOM 0 H ILE A 42 -8.685 11.032 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.848 10.663 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.541 8.686 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.045 9.225 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.579 9.736 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.151 7.020 -2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.705 8.013 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.724 8.332 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.722 7.686 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.697 7.381 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.156 6.862 -2.291 1.00 0.00 H new ATOM 635 N LYS A 43 -5.645 10.617 -5.043 1.00 0.00 N ATOM 636 CA LYS A 43 -4.415 10.666 -5.829 1.00 0.00 C ATOM 637 C LYS A 43 -3.550 11.856 -5.418 1.00 0.00 C ATOM 638 O LYS A 43 -2.375 11.695 -5.091 1.00 0.00 O ATOM 639 CB LYS A 43 -4.740 10.747 -7.323 1.00 0.00 C ATOM 640 CG LYS A 43 -3.526 10.571 -8.224 1.00 0.00 C ATOM 641 CD LYS A 43 -3.384 11.726 -9.205 1.00 0.00 C ATOM 642 CE LYS A 43 -2.997 13.015 -8.499 1.00 0.00 C ATOM 643 NZ LYS A 43 -4.153 13.945 -8.364 1.00 0.00 N ATOM 0 H LYS A 43 -6.500 10.724 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.855 9.751 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.477 9.982 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.201 11.712 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.626 10.499 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.613 9.634 -8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.630 11.479 -9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.324 11.870 -9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.601 12.782 -7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.198 13.507 -9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.811 14.886 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.650 14.015 -9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.806 13.584 -7.640 1.00 0.00 H new ATOM 657 N GLU A 44 -4.137 13.051 -5.440 1.00 0.00 N ATOM 658 CA GLU A 44 -3.409 14.262 -5.073 1.00 0.00 C ATOM 659 C GLU A 44 -2.816 14.144 -3.672 1.00 0.00 C ATOM 660 O GLU A 44 -1.724 14.647 -3.406 1.00 0.00 O ATOM 661 CB GLU A 44 -4.318 15.494 -5.161 1.00 0.00 C ATOM 662 CG GLU A 44 -5.456 15.502 -4.151 1.00 0.00 C ATOM 663 CD GLU A 44 -6.223 16.812 -4.159 1.00 0.00 C ATOM 664 OE1 GLU A 44 -5.581 17.876 -4.037 1.00 0.00 O ATOM 665 OE2 GLU A 44 -7.465 16.772 -4.289 1.00 0.00 O ATOM 0 H GLU A 44 -5.109 13.206 -5.707 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.591 14.383 -5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.713 16.389 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.738 15.551 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.140 14.682 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.055 15.324 -3.153 1.00 0.00 H new ATOM 672 N LEU A 45 -3.534 13.467 -2.784 1.00 0.00 N ATOM 673 CA LEU A 45 -3.069 13.279 -1.416 1.00 0.00 C ATOM 674 C LEU A 45 -1.858 12.353 -1.387 1.00 0.00 C ATOM 675 O LEU A 45 -0.836 12.669 -0.778 1.00 0.00 O ATOM 676 CB LEU A 45 -4.193 12.703 -0.549 1.00 0.00 C ATOM 677 CG LEU A 45 -4.144 13.076 0.938 1.00 0.00 C ATOM 678 CD1 LEU A 45 -2.982 12.381 1.635 1.00 0.00 C ATOM 679 CD2 LEU A 45 -4.054 14.586 1.116 1.00 0.00 C ATOM 0 H LEU A 45 -4.438 13.040 -2.986 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.775 14.249 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.148 13.035 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.171 11.616 -0.633 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.070 12.734 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.969 12.662 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.100 11.301 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.045 12.682 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.021 14.826 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.150 14.956 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.927 15.058 0.665 1.00 0.00 H new ATOM 691 N CYS A 46 -1.981 11.209 -2.054 1.00 0.00 N ATOM 692 CA CYS A 46 -0.898 10.233 -2.113 1.00 0.00 C ATOM 693 C CYS A 46 0.414 10.894 -2.531 1.00 0.00 C ATOM 694 O CYS A 46 1.488 10.509 -2.070 1.00 0.00 O ATOM 695 CB CYS A 46 -1.252 9.114 -3.093 1.00 0.00 C ATOM 696 SG CYS A 46 -2.709 8.155 -2.618 1.00 0.00 S ATOM 0 H CYS A 46 -2.822 10.935 -2.562 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.767 9.811 -1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.421 9.548 -4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.400 8.440 -3.183 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.741 8.942 -2.541 1.00 0.00 H new ATOM 702 N GLN A 47 0.317 11.890 -3.407 1.00 0.00 N ATOM 703 CA GLN A 47 1.494 12.603 -3.889 1.00 0.00 C ATOM 704 C GLN A 47 1.944 13.660 -2.883 1.00 0.00 C ATOM 705 O GLN A 47 3.138 13.926 -2.744 1.00 0.00 O ATOM 706 CB GLN A 47 1.204 13.262 -5.239 1.00 0.00 C ATOM 707 CG GLN A 47 1.192 12.284 -6.403 1.00 0.00 C ATOM 708 CD GLN A 47 2.090 12.723 -7.543 1.00 0.00 C ATOM 709 OE1 GLN A 47 2.062 13.881 -7.961 1.00 0.00 O ATOM 710 NE2 GLN A 47 2.893 11.797 -8.054 1.00 0.00 N ATOM 0 H GLN A 47 -0.565 12.221 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 47 2.298 11.877 -4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.239 13.766 -5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.954 14.030 -5.428 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.511 11.303 -6.051 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.172 12.175 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.884 10.849 -7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.519 12.033 -8.824 1.00 0.00 H new ATOM 719 N SER A 48 0.983 14.261 -2.186 1.00 0.00 N ATOM 720 CA SER A 48 1.286 15.289 -1.196 1.00 0.00 C ATOM 721 C SER A 48 2.292 14.779 -0.168 1.00 0.00 C ATOM 722 O SER A 48 3.247 15.475 0.178 1.00 0.00 O ATOM 723 CB SER A 48 0.007 15.746 -0.491 1.00 0.00 C ATOM 724 OG SER A 48 -1.000 16.084 -1.428 1.00 0.00 O ATOM 0 H SER A 48 -0.010 14.054 -2.289 1.00 0.00 H new ATOM 0 HA SER A 48 1.727 16.138 -1.719 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.353 14.953 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.224 16.608 0.140 1.00 0.00 H new ATOM 0 HG SER A 48 -1.288 15.277 -1.904 1.00 0.00 H new ATOM 730 N HIS A 49 2.068 13.563 0.318 1.00 0.00 N ATOM 731 CA HIS A 49 2.953 12.961 1.308 1.00 0.00 C ATOM 732 C HIS A 49 3.967 12.021 0.651 1.00 0.00 C ATOM 733 O HIS A 49 4.791 11.414 1.334 1.00 0.00 O ATOM 734 CB HIS A 49 2.134 12.201 2.354 1.00 0.00 C ATOM 735 CG HIS A 49 2.330 12.703 3.752 1.00 0.00 C ATOM 736 ND1 HIS A 49 1.937 13.957 4.166 1.00 0.00 N ATOM 737 CD2 HIS A 49 2.882 12.109 4.838 1.00 0.00 C ATOM 738 CE1 HIS A 49 2.236 14.116 5.442 1.00 0.00 C ATOM 739 NE2 HIS A 49 2.810 13.008 5.873 1.00 0.00 N ATOM 0 H HIS A 49 1.281 12.975 0.042 1.00 0.00 H new ATOM 0 HA HIS A 49 3.505 13.764 1.797 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.077 12.271 2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.402 11.145 2.315 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.300 11.114 4.881 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.044 15.000 6.032 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.146 12.846 6.822 1.00 0.00 H new ATOM 748 N ASN A 50 3.903 11.906 -0.674 1.00 0.00 N ATOM 749 CA ASN A 50 4.817 11.042 -1.414 1.00 0.00 C ATOM 750 C ASN A 50 4.739 9.602 -0.911 1.00 0.00 C ATOM 751 O ASN A 50 5.751 9.004 -0.546 1.00 0.00 O ATOM 752 CB ASN A 50 6.253 11.559 -1.295 1.00 0.00 C ATOM 753 CG ASN A 50 6.400 12.980 -1.801 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.241 13.940 -1.046 1.00 0.00 O ATOM 755 ND2 ASN A 50 6.709 13.122 -3.085 1.00 0.00 N ATOM 0 H ASN A 50 3.227 12.401 -1.256 1.00 0.00 H new ATOM 0 HA ASN A 50 4.518 11.057 -2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.567 11.513 -0.252 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.919 10.905 -1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.824 14.055 -3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.831 12.298 -3.674 1.00 0.00 H new ATOM 762 N ILE A 51 3.529 9.050 -0.896 1.00 0.00 N ATOM 763 CA ILE A 51 3.321 7.680 -0.438 1.00 0.00 C ATOM 764 C ILE A 51 2.907 6.772 -1.591 1.00 0.00 C ATOM 765 O ILE A 51 1.739 6.748 -1.981 1.00 0.00 O ATOM 766 CB ILE A 51 2.246 7.603 0.664 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.328 8.823 1.585 1.00 0.00 C ATOM 768 CG2 ILE A 51 2.398 6.314 1.461 1.00 0.00 C ATOM 769 CD1 ILE A 51 1.352 8.778 2.742 1.00 0.00 C ATOM 0 H ILE A 51 2.680 9.529 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 51 4.273 7.342 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 51 1.264 7.602 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.341 8.903 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.142 9.723 0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.632 6.273 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.286 5.459 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.384 6.287 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.468 9.675 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.333 8.730 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.551 7.897 3.352 1.00 0.00 H new ATOM 781 N PRO A 52 3.858 6.007 -2.157 1.00 0.00 N ATOM 782 CA PRO A 52 3.574 5.096 -3.271 1.00 0.00 C ATOM 783 C PRO A 52 2.403 4.170 -2.969 1.00 0.00 C ATOM 784 O PRO A 52 2.431 3.406 -2.003 1.00 0.00 O ATOM 785 CB PRO A 52 4.869 4.296 -3.418 1.00 0.00 C ATOM 786 CG PRO A 52 5.928 5.188 -2.870 1.00 0.00 C ATOM 787 CD PRO A 52 5.278 5.967 -1.760 1.00 0.00 C ATOM 0 HA PRO A 52 3.289 5.632 -4.176 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.819 3.356 -2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.063 4.045 -4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.773 4.608 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.314 5.855 -3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.412 5.479 -0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.699 6.969 -1.672 1.00 0.00 H new ATOM 795 N VAL A 53 1.370 4.252 -3.799 1.00 0.00 N ATOM 796 CA VAL A 53 0.180 3.431 -3.623 1.00 0.00 C ATOM 797 C VAL A 53 -0.584 3.299 -4.939 1.00 0.00 C ATOM 798 O VAL A 53 -0.413 4.110 -5.848 1.00 0.00 O ATOM 799 CB VAL A 53 -0.745 4.031 -2.543 1.00 0.00 C ATOM 800 CG1 VAL A 53 -1.150 5.450 -2.913 1.00 0.00 C ATOM 801 CG2 VAL A 53 -1.971 3.157 -2.324 1.00 0.00 C ATOM 0 H VAL A 53 1.333 4.880 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 53 0.503 2.441 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.190 4.067 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.802 5.856 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.259 6.072 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.680 5.441 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.604 3.604 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.531 3.075 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.657 2.164 -2.001 1.00 0.00 H new ATOM 811 N GLU A 54 -1.431 2.277 -5.034 1.00 0.00 N ATOM 812 CA GLU A 54 -2.219 2.051 -6.243 1.00 0.00 C ATOM 813 C GLU A 54 -3.709 2.022 -5.924 1.00 0.00 C ATOM 814 O GLU A 54 -4.177 1.167 -5.171 1.00 0.00 O ATOM 815 CB GLU A 54 -1.819 0.736 -6.927 1.00 0.00 C ATOM 816 CG GLU A 54 -0.339 0.390 -6.804 1.00 0.00 C ATOM 817 CD GLU A 54 0.302 0.051 -8.139 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.426 -0.016 -9.152 1.00 0.00 O ATOM 819 OE2 GLU A 54 1.535 -0.147 -8.170 1.00 0.00 O ATOM 0 H GLU A 54 -1.589 1.595 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.015 2.879 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.407 -0.076 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.080 0.796 -7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.190 1.231 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.224 -0.456 -6.126 1.00 0.00 H new ATOM 826 N LEU A 55 -4.451 2.963 -6.500 1.00 0.00 N ATOM 827 CA LEU A 55 -5.891 3.043 -6.278 1.00 0.00 C ATOM 828 C LEU A 55 -6.647 2.250 -7.342 1.00 0.00 C ATOM 829 O LEU A 55 -6.646 2.607 -8.521 1.00 0.00 O ATOM 830 CB LEU A 55 -6.346 4.506 -6.286 1.00 0.00 C ATOM 831 CG LEU A 55 -7.861 4.720 -6.217 1.00 0.00 C ATOM 832 CD1 LEU A 55 -8.301 5.010 -4.787 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.279 5.846 -7.150 1.00 0.00 C ATOM 0 H LEU A 55 -4.080 3.680 -7.123 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.113 2.608 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.884 5.018 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.969 4.982 -7.191 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.354 3.804 -6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.381 5.159 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.035 4.169 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.802 5.910 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.358 5.986 -7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.776 6.767 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.002 5.592 -8.173 1.00 0.00 H new ATOM 845 N ILE A 56 -7.294 1.174 -6.911 1.00 0.00 N ATOM 846 CA ILE A 56 -8.067 0.316 -7.809 1.00 0.00 C ATOM 847 C ILE A 56 -9.562 0.535 -7.606 1.00 0.00 C ATOM 848 O ILE A 56 -9.998 0.891 -6.512 1.00 0.00 O ATOM 849 CB ILE A 56 -7.754 -1.186 -7.620 1.00 0.00 C ATOM 850 CG1 ILE A 56 -7.007 -1.436 -6.309 1.00 0.00 C ATOM 851 CG2 ILE A 56 -6.971 -1.727 -8.805 1.00 0.00 C ATOM 852 CD1 ILE A 56 -5.549 -1.037 -6.333 1.00 0.00 C ATOM 0 H ILE A 56 -7.300 0.871 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.776 0.597 -8.821 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.702 -1.721 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.507 -0.889 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.077 -2.495 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.762 -2.786 -8.650 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.557 -1.602 -9.716 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.032 -1.182 -8.900 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.098 -1.249 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.030 -1.603 -7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.467 0.029 -6.546 1.00 0.00 H new ATOM 864 N GLN A 57 -10.349 0.318 -8.656 1.00 0.00 N ATOM 865 CA GLN A 57 -11.795 0.490 -8.572 1.00 0.00 C ATOM 866 C GLN A 57 -12.514 -0.803 -8.948 1.00 0.00 C ATOM 867 O GLN A 57 -12.195 -1.429 -9.961 1.00 0.00 O ATOM 868 CB GLN A 57 -12.245 1.632 -9.489 1.00 0.00 C ATOM 869 CG GLN A 57 -11.280 2.810 -9.524 1.00 0.00 C ATOM 870 CD GLN A 57 -11.404 3.631 -10.793 1.00 0.00 C ATOM 871 OE1 GLN A 57 -12.350 3.465 -11.563 1.00 0.00 O ATOM 872 NE2 GLN A 57 -10.446 4.525 -11.017 1.00 0.00 N ATOM 0 H GLN A 57 -10.011 0.024 -9.572 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.053 0.740 -7.543 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.369 1.246 -10.501 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -13.223 1.985 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.464 3.451 -8.662 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.259 2.440 -9.434 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.680 4.629 -10.352 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.477 5.107 -11.854 1.00 0.00 H new ATOM 881 N CYS A 58 -13.482 -1.203 -8.126 1.00 0.00 N ATOM 882 CA CYS A 58 -14.247 -2.425 -8.365 1.00 0.00 C ATOM 883 C CYS A 58 -15.655 -2.287 -7.784 1.00 0.00 C ATOM 884 O CYS A 58 -15.923 -1.359 -7.028 1.00 0.00 O ATOM 885 CB CYS A 58 -13.526 -3.627 -7.744 1.00 0.00 C ATOM 886 SG CYS A 58 -12.825 -4.775 -8.953 1.00 0.00 S ATOM 0 H CYS A 58 -13.756 -0.696 -7.285 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.330 -2.586 -9.440 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -12.726 -3.263 -7.099 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.227 -4.169 -7.109 1.00 0.00 H new ATOM 0 HG CYS A 58 -11.694 -5.237 -8.508 1.00 0.00 H new ATOM 892 N ARG A 59 -16.553 -3.204 -8.136 1.00 0.00 N ATOM 893 CA ARG A 59 -17.930 -3.166 -7.643 1.00 0.00 C ATOM 894 C ARG A 59 -18.015 -3.651 -6.191 1.00 0.00 C ATOM 895 O ARG A 59 -17.006 -3.705 -5.488 1.00 0.00 O ATOM 896 CB ARG A 59 -18.827 -4.024 -8.545 1.00 0.00 C ATOM 897 CG ARG A 59 -19.155 -3.374 -9.880 1.00 0.00 C ATOM 898 CD ARG A 59 -17.996 -3.482 -10.858 1.00 0.00 C ATOM 899 NE ARG A 59 -18.286 -2.817 -12.126 1.00 0.00 N ATOM 900 CZ ARG A 59 -19.045 -3.344 -13.085 1.00 0.00 C ATOM 901 NH1 ARG A 59 -19.581 -4.549 -12.931 1.00 0.00 N ATOM 902 NH2 ARG A 59 -19.267 -2.666 -14.202 1.00 0.00 N ATOM 0 H ARG A 59 -16.353 -3.984 -8.762 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.275 -2.132 -7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.335 -4.979 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.757 -4.239 -8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.038 -3.848 -10.308 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.402 -2.324 -9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.104 -3.041 -10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.774 -4.533 -11.042 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.883 -1.894 -12.286 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.412 -5.077 -12.074 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.161 -4.947 -13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.857 -1.741 -14.327 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.848 -3.070 -14.937 1.00 0.00 H new ATOM 916 N VAL A 60 -19.224 -4.010 -5.751 1.00 0.00 N ATOM 917 CA VAL A 60 -19.433 -4.496 -4.386 1.00 0.00 C ATOM 918 C VAL A 60 -19.175 -5.998 -4.280 1.00 0.00 C ATOM 919 O VAL A 60 -19.100 -6.546 -3.179 1.00 0.00 O ATOM 920 CB VAL A 60 -20.858 -4.199 -3.870 1.00 0.00 C ATOM 921 CG1 VAL A 60 -20.951 -2.774 -3.343 1.00 0.00 C ATOM 922 CG2 VAL A 60 -21.895 -4.445 -4.956 1.00 0.00 C ATOM 0 H VAL A 60 -20.070 -3.973 -6.319 1.00 0.00 H new ATOM 0 HA VAL A 60 -18.716 -3.958 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.069 -4.882 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -21.963 -2.584 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -20.244 -2.642 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -20.713 -2.074 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.889 -4.228 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -21.690 -3.797 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -21.849 -5.487 -5.274 1.00 0.00 H new ATOM 932 N ASN A 61 -19.037 -6.660 -5.426 1.00 0.00 N ATOM 933 CA ASN A 61 -18.784 -8.095 -5.451 1.00 0.00 C ATOM 934 C ASN A 61 -17.735 -8.436 -6.507 1.00 0.00 C ATOM 935 O ASN A 61 -18.049 -9.004 -7.554 1.00 0.00 O ATOM 936 CB ASN A 61 -20.082 -8.863 -5.718 1.00 0.00 C ATOM 937 CG ASN A 61 -20.394 -9.866 -4.623 1.00 0.00 C ATOM 938 OD1 ASN A 61 -20.166 -9.602 -3.443 1.00 0.00 O ATOM 939 ND2 ASN A 61 -20.916 -11.024 -5.009 1.00 0.00 N ATOM 0 H ASN A 61 -19.096 -6.225 -6.347 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.400 -8.394 -4.476 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -20.908 -8.157 -5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.004 -9.383 -6.673 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.144 -11.737 -4.316 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -21.089 -11.201 -5.999 1.00 0.00 H new ATOM 946 N GLU A 62 -16.488 -8.072 -6.224 1.00 0.00 N ATOM 947 CA GLU A 62 -15.383 -8.325 -7.142 1.00 0.00 C ATOM 948 C GLU A 62 -14.043 -8.186 -6.426 1.00 0.00 C ATOM 949 O GLU A 62 -13.094 -8.914 -6.717 1.00 0.00 O ATOM 950 CB GLU A 62 -15.449 -7.358 -8.327 1.00 0.00 C ATOM 951 CG GLU A 62 -15.295 -8.041 -9.676 1.00 0.00 C ATOM 952 CD GLU A 62 -16.619 -8.513 -10.244 1.00 0.00 C ATOM 953 OE1 GLU A 62 -17.579 -7.715 -10.256 1.00 0.00 O ATOM 954 OE2 GLU A 62 -16.697 -9.682 -10.677 1.00 0.00 O ATOM 0 H GLU A 62 -16.217 -7.599 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.472 -9.346 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.402 -6.830 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.666 -6.607 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.828 -7.350 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.623 -8.893 -9.573 1.00 0.00 H new ATOM 961 N ILE A 63 -13.973 -7.249 -5.484 1.00 0.00 N ATOM 962 CA ILE A 63 -12.752 -7.020 -4.723 1.00 0.00 C ATOM 963 C ILE A 63 -12.257 -8.311 -4.075 1.00 0.00 C ATOM 964 O ILE A 63 -11.063 -8.472 -3.824 1.00 0.00 O ATOM 965 CB ILE A 63 -12.964 -5.952 -3.631 1.00 0.00 C ATOM 966 CG1 ILE A 63 -13.509 -4.662 -4.248 1.00 0.00 C ATOM 967 CG2 ILE A 63 -11.662 -5.676 -2.891 1.00 0.00 C ATOM 968 CD1 ILE A 63 -13.868 -3.606 -3.225 1.00 0.00 C ATOM 0 H ILE A 63 -14.749 -6.637 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.001 -6.662 -5.427 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.693 -6.332 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.766 -4.254 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.393 -4.898 -4.840 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.832 -4.920 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.308 -6.594 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.912 -5.316 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -14.247 -2.720 -3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.634 -3.995 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.981 -3.342 -2.649 1.00 0.00 H new ATOM 980 N GLU A 64 -13.184 -9.226 -3.806 1.00 0.00 N ATOM 981 CA GLU A 64 -12.848 -10.502 -3.184 1.00 0.00 C ATOM 982 C GLU A 64 -12.168 -11.444 -4.173 1.00 0.00 C ATOM 983 O GLU A 64 -11.274 -12.204 -3.805 1.00 0.00 O ATOM 984 CB GLU A 64 -14.108 -11.166 -2.624 1.00 0.00 C ATOM 985 CG GLU A 64 -13.902 -11.818 -1.267 1.00 0.00 C ATOM 986 CD GLU A 64 -15.094 -12.650 -0.836 1.00 0.00 C ATOM 987 OE1 GLU A 64 -16.174 -12.502 -1.446 1.00 0.00 O ATOM 988 OE2 GLU A 64 -14.948 -13.449 0.112 1.00 0.00 O ATOM 0 H GLU A 64 -14.176 -9.106 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.151 -10.299 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.897 -10.418 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.456 -11.920 -3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.015 -12.451 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.713 -11.046 -0.521 1.00 0.00 H new ATOM 995 N THR A 65 -12.604 -11.399 -5.429 1.00 0.00 N ATOM 996 CA THR A 65 -12.035 -12.264 -6.455 1.00 0.00 C ATOM 997 C THR A 65 -10.691 -11.730 -6.944 1.00 0.00 C ATOM 998 O THR A 65 -9.735 -12.488 -7.110 1.00 0.00 O ATOM 999 CB THR A 65 -13.007 -12.390 -7.631 1.00 0.00 C ATOM 1000 OG1 THR A 65 -14.350 -12.322 -7.181 1.00 0.00 O ATOM 1001 CG2 THR A 65 -12.847 -13.681 -8.402 1.00 0.00 C ATOM 0 H THR A 65 -13.343 -10.778 -5.758 1.00 0.00 H new ATOM 0 HA THR A 65 -11.869 -13.248 -6.016 1.00 0.00 H new ATOM 0 HB THR A 65 -12.770 -11.558 -8.293 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.956 -12.403 -7.947 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.565 -13.707 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 65 -11.836 -13.742 -8.804 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.025 -14.526 -7.737 1.00 0.00 H new ATOM 1009 N TYR A 66 -10.617 -10.421 -7.161 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.380 -9.790 -7.618 1.00 0.00 C ATOM 1011 C TYR A 66 -8.523 -9.312 -6.439 1.00 0.00 C ATOM 1012 O TYR A 66 -7.579 -8.542 -6.623 1.00 0.00 O ATOM 1013 CB TYR A 66 -9.678 -8.652 -8.607 1.00 0.00 C ATOM 1014 CG TYR A 66 -9.561 -7.255 -8.032 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -10.633 -6.662 -7.383 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -8.378 -6.532 -8.140 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -10.535 -5.389 -6.857 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -8.270 -5.257 -7.616 1.00 0.00 C ATOM 1019 CZ TYR A 66 -9.351 -4.692 -6.975 1.00 0.00 C ATOM 1020 OH TYR A 66 -9.248 -3.425 -6.449 1.00 0.00 O ATOM 0 H TYR A 66 -11.396 -9.776 -7.029 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.796 -10.542 -8.149 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.996 -8.738 -9.453 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -10.687 -8.785 -8.996 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.561 -7.205 -7.287 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.530 -6.974 -8.641 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.381 -4.942 -6.356 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.345 -4.708 -7.708 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.806 -2.809 -6.968 1.00 0.00 H new ATOM 1030 N MET A 67 -8.850 -9.776 -5.231 1.00 0.00 N ATOM 1031 CA MET A 67 -8.103 -9.401 -4.027 1.00 0.00 C ATOM 1032 C MET A 67 -6.707 -10.037 -4.020 1.00 0.00 C ATOM 1033 O MET A 67 -6.310 -10.675 -3.044 1.00 0.00 O ATOM 1034 CB MET A 67 -8.874 -9.828 -2.767 1.00 0.00 C ATOM 1035 CG MET A 67 -8.959 -8.744 -1.701 1.00 0.00 C ATOM 1036 SD MET A 67 -7.470 -8.650 -0.687 1.00 0.00 S ATOM 1037 CE MET A 67 -8.077 -7.749 0.740 1.00 0.00 C ATOM 0 H MET A 67 -9.628 -10.413 -5.060 1.00 0.00 H new ATOM 0 HA MET A 67 -7.987 -8.317 -4.030 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.884 -10.123 -3.053 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.394 -10.708 -2.339 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.129 -7.780 -2.181 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.819 -8.937 -1.060 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.280 -7.123 1.141 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.917 -7.121 0.443 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.403 -8.455 1.504 1.00 0.00 H new ATOM 1047 N ASP A 68 -5.967 -9.866 -5.116 1.00 0.00 N ATOM 1048 CA ASP A 68 -4.625 -10.431 -5.236 1.00 0.00 C ATOM 1049 C ASP A 68 -3.688 -9.877 -4.167 1.00 0.00 C ATOM 1050 O ASP A 68 -2.912 -10.619 -3.565 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.055 -10.146 -6.628 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.326 -11.277 -7.601 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -4.168 -12.451 -7.206 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -4.697 -10.988 -8.759 1.00 0.00 O ATOM 0 H ASP A 68 -6.276 -9.340 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.703 -11.508 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.490 -9.224 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.980 -9.984 -6.552 1.00 0.00 H new ATOM 1059 N GLY A 69 -3.762 -8.573 -3.936 1.00 0.00 N ATOM 1060 CA GLY A 69 -2.915 -7.946 -2.940 1.00 0.00 C ATOM 1061 C GLY A 69 -3.393 -6.557 -2.582 1.00 0.00 C ATOM 1062 O GLY A 69 -2.798 -5.559 -2.991 1.00 0.00 O ATOM 0 H GLY A 69 -4.395 -7.937 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.893 -8.564 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.893 -7.892 -3.315 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.477 -6.493 -1.819 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.053 -5.226 -1.403 1.00 0.00 C ATOM 1068 C VAL A 70 -4.743 -4.947 0.066 1.00 0.00 C ATOM 1069 O VAL A 70 -4.996 -5.785 0.930 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.579 -5.246 -1.611 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.211 -3.922 -1.209 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -6.906 -5.589 -3.057 1.00 0.00 C ATOM 0 H VAL A 70 -4.977 -7.313 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.613 -4.436 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.001 -6.017 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.288 -3.970 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.008 -3.727 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.790 -3.119 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.987 -5.600 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.465 -4.842 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.500 -6.571 -3.299 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.195 -3.768 0.341 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.853 -3.390 1.708 1.00 0.00 C ATOM 1084 C HIS A 71 -4.973 -2.579 2.360 1.00 0.00 C ATOM 1085 O HIS A 71 -5.008 -2.432 3.581 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.556 -2.579 1.729 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.683 -2.866 2.911 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -0.437 -3.448 2.804 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -1.877 -2.643 4.234 1.00 0.00 C ATOM 1090 CE1 HIS A 71 0.097 -3.572 4.006 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -0.757 -3.090 4.890 1.00 0.00 N ATOM 0 H HIS A 71 -3.979 -3.060 -0.361 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.716 -4.309 2.278 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.996 -2.784 0.817 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.802 -1.517 1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.750 -2.197 4.687 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.066 -3.995 4.227 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.608 -3.055 5.899 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.892 -2.059 1.544 1.00 0.00 N ATOM 1101 CA LEU A 72 -7.009 -1.270 2.056 1.00 0.00 C ATOM 1102 C LEU A 72 -8.182 -1.281 1.076 1.00 0.00 C ATOM 1103 O LEU A 72 -7.990 -1.374 -0.135 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.564 0.171 2.324 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.995 0.425 3.725 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -5.459 1.845 3.840 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -7.055 0.164 4.786 1.00 0.00 C ATOM 0 H LEU A 72 -5.883 -2.171 0.530 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.339 -1.721 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.809 0.445 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.416 0.833 2.169 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.167 -0.265 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.060 2.003 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.667 1.996 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.265 2.554 3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.634 0.349 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.904 0.828 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.387 -0.872 4.721 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.398 -1.217 1.610 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.604 -1.238 0.788 1.00 0.00 C ATOM 1121 C ILE A 73 -11.582 -0.141 1.214 1.00 0.00 C ATOM 1122 O ILE A 73 -11.719 0.159 2.398 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.322 -2.606 0.890 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.661 -3.476 1.970 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -11.345 -3.312 -0.459 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.474 -4.291 1.494 1.00 0.00 C ATOM 0 H ILE A 73 -9.575 -1.150 2.612 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.290 -1.065 -0.241 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.358 -2.433 1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.337 -2.832 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.410 -4.155 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.855 -4.270 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.873 -2.693 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.323 -3.478 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.075 -4.872 2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -9.791 -4.966 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.702 -3.622 1.115 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.265 0.453 0.241 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.238 1.504 0.524 1.00 0.00 C ATOM 1140 C CYS A 74 -14.581 1.191 -0.132 1.00 0.00 C ATOM 1141 O CYS A 74 -14.709 1.254 -1.355 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.720 2.863 0.044 1.00 0.00 C ATOM 1143 SG CYS A 74 -12.967 4.202 1.233 1.00 0.00 S ATOM 0 H CYS A 74 -12.164 0.226 -0.748 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.382 1.547 1.604 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.656 2.778 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.220 3.122 -0.889 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.497 5.310 0.742 1.00 0.00 H new ATOM 1149 N THR A 75 -15.581 0.854 0.679 1.00 0.00 N ATOM 1150 CA THR A 75 -16.910 0.536 0.160 1.00 0.00 C ATOM 1151 C THR A 75 -18.001 1.104 1.063 1.00 0.00 C ATOM 1152 O THR A 75 -17.793 1.289 2.262 1.00 0.00 O ATOM 1153 CB THR A 75 -17.084 -0.980 0.021 1.00 0.00 C ATOM 1154 OG1 THR A 75 -15.922 -1.573 -0.532 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.260 -1.373 -0.849 1.00 0.00 C ATOM 0 H THR A 75 -15.498 0.794 1.694 1.00 0.00 H new ATOM 0 HA THR A 75 -17.003 0.995 -0.824 1.00 0.00 H new ATOM 0 HB THR A 75 -17.266 -1.341 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.054 -2.541 -0.610 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.325 -2.460 -0.904 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.180 -0.976 -0.419 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.123 -0.966 -1.851 1.00 0.00 H new ATOM 1163 N THR A 76 -19.168 1.370 0.479 1.00 0.00 N ATOM 1164 CA THR A 76 -20.296 1.910 1.231 1.00 0.00 C ATOM 1165 C THR A 76 -21.202 0.790 1.728 1.00 0.00 C ATOM 1166 O THR A 76 -22.303 0.591 1.214 1.00 0.00 O ATOM 1167 CB THR A 76 -21.106 2.880 0.368 1.00 0.00 C ATOM 1168 OG1 THR A 76 -21.342 2.333 -0.918 1.00 0.00 O ATOM 1169 CG2 THR A 76 -20.435 4.222 0.182 1.00 0.00 C ATOM 0 H THR A 76 -19.356 1.220 -0.512 1.00 0.00 H new ATOM 0 HA THR A 76 -19.896 2.448 2.090 1.00 0.00 H new ATOM 0 HB THR A 76 -22.040 3.033 0.908 1.00 0.00 H new ATOM 0 HG1 THR A 76 -21.772 1.457 -0.827 1.00 0.00 H new ATOM 0 HG21 THR A 76 -21.063 4.860 -0.439 1.00 0.00 H new ATOM 0 HG22 THR A 76 -20.288 4.693 1.154 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.469 4.082 -0.303 1.00 0.00 H new ATOM 1177 N ALA A 77 -20.732 0.061 2.731 1.00 0.00 N ATOM 1178 CA ALA A 77 -21.500 -1.038 3.297 1.00 0.00 C ATOM 1179 C ALA A 77 -20.784 -1.639 4.499 1.00 0.00 C ATOM 1180 O ALA A 77 -19.661 -1.253 4.823 1.00 0.00 O ATOM 1181 CB ALA A 77 -21.750 -2.106 2.244 1.00 0.00 C ATOM 0 H ALA A 77 -19.823 0.211 3.169 1.00 0.00 H new ATOM 0 HA ALA A 77 -22.459 -0.644 3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -22.325 -2.921 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -22.308 -1.674 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -20.796 -2.489 1.881 1.00 0.00 H new ATOM 1187 N ARG A 78 -21.441 -2.586 5.153 1.00 0.00 N ATOM 1188 CA ARG A 78 -20.869 -3.243 6.319 1.00 0.00 C ATOM 1189 C ARG A 78 -20.755 -4.748 6.080 1.00 0.00 C ATOM 1190 O ARG A 78 -21.229 -5.554 6.881 1.00 0.00 O ATOM 1191 CB ARG A 78 -21.725 -2.957 7.556 1.00 0.00 C ATOM 1192 CG ARG A 78 -20.918 -2.542 8.777 1.00 0.00 C ATOM 1193 CD ARG A 78 -20.553 -1.065 8.732 1.00 0.00 C ATOM 1194 NE ARG A 78 -19.421 -0.750 9.602 1.00 0.00 N ATOM 1195 CZ ARG A 78 -18.159 -0.663 9.183 1.00 0.00 C ATOM 1196 NH1 ARG A 78 -17.852 -0.896 7.913 1.00 0.00 N ATOM 1197 NH2 ARG A 78 -17.198 -0.351 10.041 1.00 0.00 N ATOM 0 H ARG A 78 -22.371 -2.917 4.896 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.868 -2.847 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -22.439 -2.168 7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -22.304 -3.848 7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -21.492 -2.748 9.680 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -20.009 -3.141 8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -20.311 -0.783 7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.416 -0.470 9.031 1.00 0.00 H new ATOM 0 HE ARG A 78 -19.609 -0.587 10.591 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -18.585 -1.144 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.883 -0.827 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.425 -0.178 11.020 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.231 -0.284 9.722 1.00 0.00 H new ATOM 1211 N VAL A 79 -20.125 -5.114 4.965 1.00 0.00 N ATOM 1212 CA VAL A 79 -19.951 -6.522 4.608 1.00 0.00 C ATOM 1213 C VAL A 79 -18.838 -7.181 5.420 1.00 0.00 C ATOM 1214 O VAL A 79 -18.222 -8.139 4.960 1.00 0.00 O ATOM 1215 CB VAL A 79 -19.630 -6.702 3.109 1.00 0.00 C ATOM 1216 CG1 VAL A 79 -20.787 -6.231 2.242 1.00 0.00 C ATOM 1217 CG2 VAL A 79 -18.345 -5.974 2.739 1.00 0.00 C ATOM 0 H VAL A 79 -19.727 -4.457 4.294 1.00 0.00 H new ATOM 0 HA VAL A 79 -20.902 -7.004 4.835 1.00 0.00 H new ATOM 0 HB VAL A 79 -19.483 -7.766 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -20.534 -6.369 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -21.679 -6.810 2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -20.979 -5.175 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -18.139 -6.115 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -18.456 -4.910 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -17.518 -6.375 3.325 1.00 0.00 H new ATOM 1227 N ASP A 80 -18.584 -6.682 6.626 1.00 0.00 N ATOM 1228 CA ASP A 80 -17.544 -7.249 7.480 1.00 0.00 C ATOM 1229 C ASP A 80 -18.101 -8.354 8.375 1.00 0.00 C ATOM 1230 O ASP A 80 -17.374 -8.934 9.183 1.00 0.00 O ATOM 1231 CB ASP A 80 -16.897 -6.160 8.342 1.00 0.00 C ATOM 1232 CG ASP A 80 -17.910 -5.199 8.931 1.00 0.00 C ATOM 1233 OD1 ASP A 80 -18.476 -5.511 9.999 1.00 0.00 O ATOM 1234 OD2 ASP A 80 -18.137 -4.133 8.322 1.00 0.00 O ATOM 0 H ASP A 80 -19.081 -5.890 7.033 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.787 -7.683 6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -16.335 -6.628 9.150 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.182 -5.602 7.738 1.00 0.00 H new ATOM 1239 N ARG A 81 -19.390 -8.647 8.226 1.00 0.00 N ATOM 1240 CA ARG A 81 -20.031 -9.686 9.020 1.00 0.00 C ATOM 1241 C ARG A 81 -19.386 -11.044 8.744 1.00 0.00 C ATOM 1242 O ARG A 81 -19.296 -11.890 9.634 1.00 0.00 O ATOM 1243 CB ARG A 81 -21.532 -9.738 8.710 1.00 0.00 C ATOM 1244 CG ARG A 81 -22.416 -9.659 9.946 1.00 0.00 C ATOM 1245 CD ARG A 81 -22.753 -8.218 10.306 1.00 0.00 C ATOM 1246 NE ARG A 81 -24.197 -8.004 10.414 1.00 0.00 N ATOM 1247 CZ ARG A 81 -24.811 -7.556 11.511 1.00 0.00 C ATOM 1248 NH1 ARG A 81 -24.116 -7.254 12.601 1.00 0.00 N ATOM 1249 NH2 ARG A 81 -26.129 -7.406 11.516 1.00 0.00 N ATOM 0 H ARG A 81 -20.009 -8.179 7.563 1.00 0.00 H new ATOM 0 HA ARG A 81 -19.898 -9.448 10.075 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -21.784 -8.915 8.041 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -21.752 -10.662 8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -23.337 -10.215 9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -21.911 -10.135 10.786 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -22.276 -7.959 11.252 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -22.343 -7.550 9.549 1.00 0.00 H new ATOM 0 HE ARG A 81 -24.772 -8.211 9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -23.102 -7.364 12.606 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -24.596 -6.912 13.434 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -26.671 -7.633 10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -26.600 -7.064 12.353 1.00 0.00 H new ATOM 1263 N SER A 82 -18.940 -11.245 7.505 1.00 0.00 N ATOM 1264 CA SER A 82 -18.303 -12.503 7.122 1.00 0.00 C ATOM 1265 C SER A 82 -17.459 -12.360 5.851 1.00 0.00 C ATOM 1266 O SER A 82 -17.579 -13.161 4.925 1.00 0.00 O ATOM 1267 CB SER A 82 -19.368 -13.587 6.930 1.00 0.00 C ATOM 1268 OG SER A 82 -19.619 -14.276 8.144 1.00 0.00 O ATOM 0 H SER A 82 -19.007 -10.558 6.754 1.00 0.00 H new ATOM 0 HA SER A 82 -17.628 -12.790 7.928 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.291 -13.134 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 82 -19.039 -14.294 6.168 1.00 0.00 H new ATOM 0 HG SER A 82 -19.582 -13.644 8.892 1.00 0.00 H new ATOM 1274 N PHE A 83 -16.603 -11.341 5.815 1.00 0.00 N ATOM 1275 CA PHE A 83 -15.735 -11.104 4.659 1.00 0.00 C ATOM 1276 C PHE A 83 -14.276 -11.390 5.013 1.00 0.00 C ATOM 1277 O PHE A 83 -13.385 -10.603 4.688 1.00 0.00 O ATOM 1278 CB PHE A 83 -15.881 -9.657 4.175 1.00 0.00 C ATOM 1279 CG PHE A 83 -16.259 -9.520 2.724 1.00 0.00 C ATOM 1280 CD1 PHE A 83 -17.567 -9.717 2.309 1.00 0.00 C ATOM 1281 CD2 PHE A 83 -15.305 -9.181 1.775 1.00 0.00 C ATOM 1282 CE1 PHE A 83 -17.915 -9.578 0.978 1.00 0.00 C ATOM 1283 CE2 PHE A 83 -15.647 -9.043 0.444 1.00 0.00 C ATOM 1284 CZ PHE A 83 -16.954 -9.241 0.045 1.00 0.00 C ATOM 0 H PHE A 83 -16.490 -10.666 6.571 1.00 0.00 H new ATOM 0 HA PHE A 83 -16.038 -11.779 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -16.636 -9.158 4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -14.940 -9.134 4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -18.323 -9.982 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -14.281 -9.023 2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -18.938 -9.733 0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.893 -8.781 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 83 -17.224 -9.133 -0.995 1.00 0.00 H new ATOM 1294 N GLY A 84 -14.028 -12.519 5.673 1.00 0.00 N ATOM 1295 CA GLY A 84 -12.669 -12.867 6.046 1.00 0.00 C ATOM 1296 C GLY A 84 -12.031 -11.822 6.940 1.00 0.00 C ATOM 1297 O GLY A 84 -12.145 -11.885 8.163 1.00 0.00 O ATOM 0 H GLY A 84 -14.739 -13.194 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.671 -13.829 6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.067 -12.987 5.145 1.00 0.00 H new ATOM 1301 N ASP A 85 -11.362 -10.854 6.322 1.00 0.00 N ATOM 1302 CA ASP A 85 -10.705 -9.782 7.063 1.00 0.00 C ATOM 1303 C ASP A 85 -10.435 -8.580 6.164 1.00 0.00 C ATOM 1304 O ASP A 85 -9.553 -7.771 6.446 1.00 0.00 O ATOM 1305 CB ASP A 85 -9.395 -10.281 7.673 1.00 0.00 C ATOM 1306 CG ASP A 85 -9.444 -10.326 9.188 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -10.259 -9.587 9.777 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -8.667 -11.102 9.784 1.00 0.00 O ATOM 0 H ASP A 85 -11.260 -10.789 5.309 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.375 -9.469 7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.175 -11.277 7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.579 -9.630 7.358 1.00 0.00 H new ATOM 1313 N ILE A 86 -11.212 -8.461 5.091 1.00 0.00 N ATOM 1314 CA ILE A 86 -11.072 -7.356 4.149 1.00 0.00 C ATOM 1315 C ILE A 86 -11.020 -6.006 4.882 1.00 0.00 C ATOM 1316 O ILE A 86 -12.047 -5.489 5.320 1.00 0.00 O ATOM 1317 CB ILE A 86 -12.249 -7.360 3.145 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -12.043 -6.306 2.065 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -13.562 -7.115 3.866 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -12.638 -6.677 0.728 1.00 0.00 C ATOM 0 H ILE A 86 -11.951 -9.122 4.852 1.00 0.00 H new ATOM 0 HA ILE A 86 -10.135 -7.491 3.609 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.285 -8.340 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.483 -5.366 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.974 -6.131 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.380 -7.121 3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.724 -7.900 4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.527 -6.148 4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.450 -5.877 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.181 -7.600 0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.713 -6.823 0.836 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.819 -5.413 5.039 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.659 -4.122 5.734 1.00 0.00 C ATOM 1334 C PRO A 87 -10.313 -2.959 4.985 1.00 0.00 C ATOM 1335 O PRO A 87 -9.617 -2.101 4.442 1.00 0.00 O ATOM 1336 CB PRO A 87 -8.137 -3.933 5.775 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.626 -4.746 4.635 1.00 0.00 C ATOM 1338 CD PRO A 87 -8.526 -5.945 4.565 1.00 0.00 C ATOM 0 HA PRO A 87 -10.137 -4.130 6.713 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.865 -2.883 5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.721 -4.274 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.654 -4.179 3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.589 -5.042 4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.598 -6.338 3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.167 -6.757 5.197 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.648 -2.932 4.952 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.363 -1.866 4.247 1.00 0.00 C ATOM 1348 C LEU A 88 -12.833 -0.772 5.196 1.00 0.00 C ATOM 1349 O LEU A 88 -12.904 -0.966 6.409 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.565 -2.418 3.467 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.820 -2.713 4.299 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -16.078 -2.507 3.466 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.765 -4.127 4.845 1.00 0.00 C ATOM 0 H LEU A 88 -12.248 -3.626 5.398 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.652 -1.431 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.828 -1.703 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.259 -3.337 2.967 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.852 -2.018 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.957 -2.721 4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.120 -1.474 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.059 -3.178 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.661 -4.325 5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.711 -4.835 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.884 -4.239 5.477 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.158 0.382 4.620 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.629 1.524 5.389 1.00 0.00 C ATOM 1367 C VAL A 89 -14.825 2.188 4.707 1.00 0.00 C ATOM 1368 O VAL A 89 -14.963 2.138 3.483 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.510 2.564 5.578 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -11.966 3.017 4.230 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -13.008 3.750 6.392 1.00 0.00 C ATOM 0 H VAL A 89 -13.102 0.549 3.615 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.937 1.151 6.366 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.696 2.095 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.176 3.752 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.563 2.158 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.769 3.465 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.201 4.473 6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.843 4.222 5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.337 3.406 7.372 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.686 2.808 5.509 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.875 3.485 4.993 1.00 0.00 C ATOM 1383 C HIS A 90 -16.555 4.928 4.608 1.00 0.00 C ATOM 1384 O HIS A 90 -15.738 5.585 5.252 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.991 3.462 6.041 1.00 0.00 C ATOM 1386 CG HIS A 90 -19.351 3.199 5.469 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -20.253 4.201 5.177 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -19.966 2.038 5.140 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -21.362 3.670 4.696 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -21.215 2.358 4.663 1.00 0.00 N ATOM 0 H HIS A 90 -15.583 2.856 6.523 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.209 2.955 4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.765 2.696 6.783 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.006 4.418 6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -19.552 1.045 5.235 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -22.240 4.216 4.383 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -21.914 1.691 4.337 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.204 5.413 3.553 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.973 6.774 3.101 1.00 0.00 C ATOM 1401 C GLY A 91 -18.208 7.647 3.217 1.00 0.00 C ATOM 1402 O GLY A 91 -18.466 8.484 2.352 1.00 0.00 O ATOM 0 H GLY A 91 -17.885 4.889 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.165 7.215 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.642 6.756 2.063 1.00 0.00 H new ATOM 1406 N MET A 92 -18.974 7.454 4.286 1.00 0.00 N ATOM 1407 CA MET A 92 -20.188 8.235 4.505 1.00 0.00 C ATOM 1408 C MET A 92 -19.867 9.712 4.746 1.00 0.00 C ATOM 1409 O MET A 92 -20.502 10.588 4.162 1.00 0.00 O ATOM 1410 CB MET A 92 -20.990 7.669 5.678 1.00 0.00 C ATOM 1411 CG MET A 92 -22.393 8.243 5.783 1.00 0.00 C ATOM 1412 SD MET A 92 -23.615 7.260 4.893 1.00 0.00 S ATOM 1413 CE MET A 92 -23.710 8.153 3.343 1.00 0.00 C ATOM 0 H MET A 92 -18.777 6.766 5.013 1.00 0.00 H new ATOM 0 HA MET A 92 -20.792 8.165 3.600 1.00 0.00 H new ATOM 0 HB2 MET A 92 -21.055 6.586 5.575 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.453 7.869 6.605 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.678 8.305 6.833 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.395 9.260 5.391 1.00 0.00 H new ATOM 0 HE1 MET A 92 -24.680 7.975 2.879 1.00 0.00 H new ATOM 0 HE2 MET A 92 -23.588 9.220 3.530 1.00 0.00 H new ATOM 0 HE3 MET A 92 -22.920 7.809 2.676 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.885 10.020 5.613 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.513 11.407 5.904 1.00 0.00 C ATOM 1425 C PRO A 93 -17.670 12.030 4.790 1.00 0.00 C ATOM 1426 O PRO A 93 -17.808 13.214 4.484 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.701 11.289 7.193 1.00 0.00 C ATOM 1428 CG PRO A 93 -17.104 9.925 7.145 1.00 0.00 C ATOM 1429 CD PRO A 93 -18.068 9.056 6.380 1.00 0.00 C ATOM 0 HA PRO A 93 -19.385 12.056 5.992 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.929 12.057 7.246 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.334 11.413 8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.130 9.946 6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.947 9.536 8.151 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.545 8.363 5.721 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.683 8.456 7.050 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.795 11.226 4.195 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.923 11.696 3.122 1.00 0.00 C ATOM 1439 C PHE A 94 -16.725 12.097 1.883 1.00 0.00 C ATOM 1440 O PHE A 94 -16.353 13.027 1.168 1.00 0.00 O ATOM 1441 CB PHE A 94 -14.899 10.615 2.760 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.479 11.114 2.725 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.017 12.002 3.683 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.606 10.694 1.731 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.716 12.461 3.653 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.302 11.151 1.698 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.857 12.036 2.659 1.00 0.00 C ATOM 0 H PHE A 94 -16.670 10.243 4.438 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.399 12.581 3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.971 9.802 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.153 10.199 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.684 12.339 4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.949 10.003 0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.370 13.153 4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.632 10.816 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.839 12.395 2.634 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.823 11.396 1.632 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.664 11.689 0.476 1.00 0.00 C ATOM 1459 C VAL A 95 -19.517 12.936 0.709 1.00 0.00 C ATOM 1460 O VAL A 95 -19.967 13.577 -0.240 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.589 10.504 0.137 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.627 10.297 1.226 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -20.259 10.713 -1.212 1.00 0.00 C ATOM 0 H VAL A 95 -18.152 10.623 2.210 1.00 0.00 H new ATOM 0 HA VAL A 95 -17.991 11.867 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 95 -18.977 9.604 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.267 9.455 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -20.126 10.090 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.234 11.197 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -20.907 9.865 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -20.853 11.627 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -19.497 10.798 -1.987 1.00 0.00 H new ATOM 1473 N SER A 96 -19.737 13.266 1.977 1.00 0.00 N ATOM 1474 CA SER A 96 -20.540 14.428 2.343 1.00 0.00 C ATOM 1475 C SER A 96 -20.012 15.700 1.688 1.00 0.00 C ATOM 1476 O SER A 96 -20.772 16.627 1.411 1.00 0.00 O ATOM 1477 CB SER A 96 -20.553 14.598 3.860 1.00 0.00 C ATOM 1478 OG SER A 96 -20.314 13.363 4.513 1.00 0.00 O ATOM 0 H SER A 96 -19.369 12.743 2.772 1.00 0.00 H new ATOM 0 HA SER A 96 -21.555 14.258 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.793 15.322 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 96 -21.516 15.000 4.176 1.00 0.00 H new ATOM 0 HG SER A 96 -20.997 13.219 5.200 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.707 15.740 1.445 1.00 0.00 N ATOM 1485 CA GLY A 97 -18.108 16.912 0.827 1.00 0.00 C ATOM 1486 C GLY A 97 -17.895 18.057 1.807 1.00 0.00 C ATOM 1487 O GLY A 97 -17.375 19.109 1.430 1.00 0.00 O ATOM 0 H GLY A 97 -18.054 14.987 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -17.150 16.635 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.746 17.253 0.012 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.308 17.866 3.060 1.00 0.00 N ATOM 1492 CA VAL A 98 -18.168 18.901 4.081 1.00 0.00 C ATOM 1493 C VAL A 98 -17.193 18.474 5.175 1.00 0.00 C ATOM 1494 O VAL A 98 -16.516 19.307 5.777 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.533 19.228 4.728 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.490 20.569 5.449 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -20.639 19.210 3.683 1.00 0.00 C ATOM 0 H VAL A 98 -18.742 17.004 3.391 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.779 19.789 3.582 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.749 18.458 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.463 20.774 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -18.732 20.537 6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.244 21.357 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.592 19.442 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -20.426 19.953 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -20.693 18.221 3.227 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.129 17.170 5.432 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.238 16.658 6.457 1.00 0.00 C ATOM 1509 C GLY A 99 -15.016 15.961 5.888 1.00 0.00 C ATOM 1510 O GLY A 99 -14.341 15.213 6.596 1.00 0.00 O ATOM 0 H GLY A 99 -17.678 16.460 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.916 17.481 7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.785 15.960 7.090 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.723 16.203 4.612 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.565 15.588 3.972 1.00 0.00 C ATOM 1516 C ILE A 100 -12.271 16.091 4.596 1.00 0.00 C ATOM 1517 O ILE A 100 -11.365 15.313 4.887 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.512 15.876 2.457 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.840 15.515 1.789 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -12.360 15.108 1.819 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.811 15.626 0.277 1.00 0.00 C ATOM 0 H ILE A 100 -15.268 16.816 4.006 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.669 14.514 4.124 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.343 16.943 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.110 14.496 2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.622 16.168 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.331 15.318 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.420 15.417 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.505 14.039 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -15.787 15.355 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.572 16.651 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.053 14.952 -0.123 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.190 17.401 4.783 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.004 18.019 5.358 1.00 0.00 C ATOM 1535 C GLU A 101 -10.716 17.470 6.752 1.00 0.00 C ATOM 1536 O GLU A 101 -9.563 17.224 7.105 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.177 19.539 5.410 1.00 0.00 C ATOM 1538 CG GLU A 101 -10.336 20.277 4.383 1.00 0.00 C ATOM 1539 CD GLU A 101 -8.885 20.405 4.802 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -8.287 19.379 5.191 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -8.347 21.530 4.744 1.00 0.00 O ATOM 0 H GLU A 101 -12.933 18.057 4.544 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.153 17.779 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.227 19.783 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.914 19.893 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.390 19.752 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.753 21.271 4.224 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.768 17.281 7.541 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.623 16.762 8.895 1.00 0.00 C ATOM 1550 C ALA A 102 -11.248 15.283 8.882 1.00 0.00 C ATOM 1551 O ALA A 102 -10.358 14.851 9.616 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.909 16.977 9.680 1.00 0.00 C ATOM 0 H ALA A 102 -12.730 17.480 7.266 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.815 17.308 9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.789 16.585 10.690 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.132 18.043 9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.729 16.457 9.185 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.932 14.511 8.044 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.673 13.079 7.932 1.00 0.00 C ATOM 1560 C LEU A 103 -10.332 12.821 7.256 1.00 0.00 C ATOM 1561 O LEU A 103 -9.589 11.919 7.643 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.789 12.403 7.136 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.962 10.909 7.409 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.677 10.692 8.732 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.722 10.247 6.271 1.00 0.00 C ATOM 0 H LEU A 103 -12.672 14.854 7.431 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.642 12.660 8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.729 12.909 7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.593 12.543 6.073 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.976 10.450 7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.793 9.623 8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.092 11.135 9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.660 11.162 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.837 9.183 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.706 10.706 6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.169 10.376 5.341 1.00 0.00 H new ATOM 1577 N GLN A 104 -10.036 13.623 6.241 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.791 13.503 5.492 1.00 0.00 C ATOM 1579 C GLN A 104 -7.592 13.405 6.433 1.00 0.00 C ATOM 1580 O GLN A 104 -6.740 12.529 6.281 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.645 14.705 4.555 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.325 14.754 3.806 1.00 0.00 C ATOM 1583 CD GLN A 104 -6.471 15.938 4.217 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -6.485 16.354 5.376 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -5.726 16.488 3.267 1.00 0.00 N ATOM 0 H GLN A 104 -10.648 14.371 5.915 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.821 12.587 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.460 14.688 3.831 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.754 15.620 5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.773 13.831 3.987 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.520 14.804 2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.746 16.110 2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.133 17.289 3.484 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.534 14.310 7.406 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.444 14.322 8.374 1.00 0.00 C ATOM 1596 C ASN A 105 -6.400 13.012 9.156 1.00 0.00 C ATOM 1597 O ASN A 105 -5.332 12.438 9.366 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.608 15.502 9.338 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.411 16.434 9.325 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -4.323 16.071 9.772 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -5.608 17.644 8.815 1.00 0.00 N ATOM 0 H ASN A 105 -8.229 15.044 7.544 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.505 14.432 7.831 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.504 16.063 9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.758 15.123 10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.840 18.315 8.783 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.527 17.903 8.455 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.570 12.549 9.587 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.671 11.310 10.352 1.00 0.00 C ATOM 1610 C LYS A 106 -7.059 10.137 9.591 1.00 0.00 C ATOM 1611 O LYS A 106 -6.262 9.379 10.143 1.00 0.00 O ATOM 1612 CB LYS A 106 -9.136 11.006 10.682 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.443 11.013 12.173 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.074 9.689 12.828 1.00 0.00 C ATOM 1615 CE LYS A 106 -9.918 9.425 14.066 1.00 0.00 C ATOM 1616 NZ LYS A 106 -11.279 8.931 13.718 1.00 0.00 N ATOM 0 H LYS A 106 -8.462 13.014 9.419 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.113 11.446 11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.771 11.741 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.397 10.031 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.894 11.823 12.654 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.504 11.212 12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.211 8.878 12.113 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.019 9.699 13.101 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.416 8.691 14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.003 10.342 14.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.821 8.764 14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.768 9.642 13.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.200 8.042 13.184 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.435 9.989 8.324 1.00 0.00 N ATOM 1631 CA ILE A 107 -6.924 8.901 7.502 1.00 0.00 C ATOM 1632 C ILE A 107 -5.412 9.005 7.337 1.00 0.00 C ATOM 1633 O ILE A 107 -4.698 8.008 7.435 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.592 8.880 6.113 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -9.118 8.838 6.254 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.095 7.690 5.303 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -9.648 7.511 6.760 1.00 0.00 C ATOM 0 H ILE A 107 -8.090 10.608 7.847 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.165 7.971 8.018 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.321 9.793 5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.433 9.628 6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.569 9.054 5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.576 7.689 4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -6.015 7.762 5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.338 6.766 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.735 7.557 6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.365 6.718 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.226 7.302 7.743 1.00 0.00 H new ATOM 1649 N LEU A 108 -4.933 10.219 7.089 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.506 10.457 6.913 1.00 0.00 C ATOM 1651 C LEU A 108 -2.718 9.965 8.118 1.00 0.00 C ATOM 1652 O LEU A 108 -1.746 9.224 7.978 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.247 11.949 6.704 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.337 12.418 5.252 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -4.449 13.442 5.086 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.004 12.989 4.783 1.00 0.00 C ATOM 0 H LEU A 108 -5.513 11.054 7.005 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.176 9.903 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.964 12.515 7.299 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.255 12.188 7.088 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.573 11.554 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.496 13.763 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.401 12.995 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.248 14.304 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.093 13.316 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.731 13.838 5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.233 12.222 4.857 1.00 0.00 H new ATOM 1668 N THR A 109 -3.144 10.394 9.302 1.00 0.00 N ATOM 1669 CA THR A 109 -2.481 10.009 10.541 1.00 0.00 C ATOM 1670 C THR A 109 -2.379 8.492 10.661 1.00 0.00 C ATOM 1671 O THR A 109 -1.360 7.967 11.107 1.00 0.00 O ATOM 1672 CB THR A 109 -3.222 10.595 11.744 1.00 0.00 C ATOM 1673 OG1 THR A 109 -4.623 10.476 11.577 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.913 12.058 11.979 1.00 0.00 C ATOM 0 H THR A 109 -3.947 11.010 9.428 1.00 0.00 H new ATOM 0 HA THR A 109 -1.468 10.412 10.524 1.00 0.00 H new ATOM 0 HB THR A 109 -2.877 10.022 12.604 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.818 9.739 10.960 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.470 12.413 12.846 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.845 12.180 12.159 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.201 12.636 11.101 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.431 7.789 10.252 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.426 6.332 10.313 1.00 0.00 C ATOM 1684 C ILE A 110 -2.382 5.759 9.357 1.00 0.00 C ATOM 1685 O ILE A 110 -1.639 4.844 9.711 1.00 0.00 O ATOM 1686 CB ILE A 110 -4.806 5.729 9.972 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.930 6.512 10.655 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -4.861 4.266 10.384 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -5.646 6.859 12.102 1.00 0.00 C ATOM 0 H ILE A 110 -4.288 8.199 9.879 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.179 6.062 11.340 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.948 5.798 8.893 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.108 7.433 10.099 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -6.849 5.927 10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.840 3.855 10.137 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.089 3.709 9.853 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.693 4.184 11.458 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.489 7.413 12.515 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -5.498 5.943 12.674 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -4.746 7.471 12.159 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.334 6.302 8.142 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.386 5.840 7.136 1.00 0.00 C ATOM 1703 C LEU A 111 0.049 6.223 7.503 1.00 0.00 C ATOM 1704 O LEU A 111 0.972 5.433 7.307 1.00 0.00 O ATOM 1705 CB LEU A 111 -1.741 6.403 5.756 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.063 5.901 5.167 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -3.476 6.760 3.982 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -2.946 4.441 4.750 1.00 0.00 C ATOM 0 H LEU A 111 -2.941 7.061 7.833 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.451 4.752 7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.782 7.490 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.936 6.157 5.063 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.832 5.977 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.417 6.390 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.602 7.793 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.705 6.714 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.896 4.104 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.164 4.339 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.695 3.833 5.619 1.00 0.00 H new ATOM 1720 N GLN A 112 0.242 7.433 8.033 1.00 0.00 N ATOM 1721 CA GLN A 112 1.581 7.881 8.410 1.00 0.00 C ATOM 1722 C GLN A 112 2.016 7.263 9.737 1.00 0.00 C ATOM 1723 O GLN A 112 3.197 6.981 9.941 1.00 0.00 O ATOM 1724 CB GLN A 112 1.657 9.413 8.486 1.00 0.00 C ATOM 1725 CG GLN A 112 0.697 10.042 9.483 1.00 0.00 C ATOM 1726 CD GLN A 112 1.247 11.321 10.092 1.00 0.00 C ATOM 1727 OE1 GLN A 112 2.451 11.448 10.315 1.00 0.00 O ATOM 1728 NE2 GLN A 112 0.364 12.278 10.363 1.00 0.00 N ATOM 0 H GLN A 112 -0.501 8.110 8.208 1.00 0.00 H new ATOM 0 HA GLN A 112 2.266 7.544 7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 112 2.675 9.701 8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.455 9.824 7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.249 10.257 8.986 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.484 9.327 10.278 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.625 12.131 10.162 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.676 13.159 10.772 1.00 0.00 H new ATOM 1737 N GLY A 113 1.057 7.044 10.633 1.00 0.00 N ATOM 1738 CA GLY A 113 1.370 6.451 11.923 1.00 0.00 C ATOM 1739 C GLY A 113 2.449 7.208 12.673 1.00 0.00 C ATOM 1740 O GLY A 113 3.400 6.560 13.159 1.00 0.00 O ATOM 1741 OXT GLY A 113 2.344 8.449 12.773 1.00 0.00 O ATOM 0 H GLY A 113 0.072 7.266 10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.466 6.418 12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.692 5.420 11.775 1.00 0.00 H new TER 1745 GLY A 113