USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 889 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 TYR OH : rot 120:sc= 0 USER MOD Set 1.2: A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 29 HIS : no HD1:sc= -1.6 K(o=-1.7,f=-0.81) USER MOD Set 2.2: A 31 SER OG : rot -19:sc= -0.0744 USER MOD Set 2.3: A 64 GLN : amide:sc=-0.000478 K(o=-1.7,f=-2.5) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.00897 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0624) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0.0052) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 32 ASN : amide:sc= 0.0592 X(o=0.059,f=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 2:sc= 0.761 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 56 TYR OH : rot 165:sc= 0 USER MOD Single : A 59 MET CE :methyl 178:sc= -2.45! (180deg=-2.51!) USER MOD Single : A 61 MET CE :methyl -139:sc= -0.626 (180deg=-1.69!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 139:sc= -3.87 (180deg=-6.2!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -108:sc= -0.899 (180deg=-3.12!) USER MOD Single : A 78 MET CE :methyl -158:sc= -4.46! (180deg=-5.84!) USER MOD Single : A 82 CYS SG : rot -13:sc= 0.0785 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0986 K(o=-0.099,f=-0.69) USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.224) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0953 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.945 -11.625 7.324 1.00 0.00 N ATOM 2 CA GLY A 1 -31.524 -11.440 7.556 1.00 0.00 C ATOM 3 C GLY A 1 -30.874 -10.567 6.501 1.00 0.00 C ATOM 4 O GLY A 1 -31.195 -10.669 5.316 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.206 -12.609 7.537 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.484 -10.983 7.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.164 -11.416 6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.375 -10.991 8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.032 -12.412 7.572 1.00 0.00 H new ATOM 8 N SER A 2 -29.956 -9.706 6.929 1.00 0.00 N ATOM 9 CA SER A 2 -29.263 -8.809 6.014 1.00 0.00 C ATOM 10 C SER A 2 -28.208 -7.988 6.751 1.00 0.00 C ATOM 11 O SER A 2 -28.265 -7.838 7.971 1.00 0.00 O ATOM 12 CB SER A 2 -30.261 -7.876 5.325 1.00 0.00 C ATOM 13 OG SER A 2 -29.604 -6.996 4.430 1.00 0.00 O ATOM 0 H SER A 2 -29.675 -9.611 7.905 1.00 0.00 H new ATOM 0 HA SER A 2 -28.764 -9.417 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.000 -8.466 4.783 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.802 -7.299 6.075 1.00 0.00 H new ATOM 0 HG SER A 2 -30.264 -6.412 4.002 1.00 0.00 H new ATOM 19 N SER A 3 -27.247 -7.459 6.000 1.00 0.00 N ATOM 20 CA SER A 3 -26.178 -6.656 6.581 1.00 0.00 C ATOM 21 C SER A 3 -26.193 -5.239 6.016 1.00 0.00 C ATOM 22 O SER A 3 -26.891 -4.954 5.044 1.00 0.00 O ATOM 23 CB SER A 3 -24.820 -7.309 6.315 1.00 0.00 C ATOM 24 OG SER A 3 -24.503 -7.282 4.934 1.00 0.00 O ATOM 0 H SER A 3 -27.187 -7.572 4.988 1.00 0.00 H new ATOM 0 HA SER A 3 -26.343 -6.600 7.657 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.046 -6.789 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.833 -8.340 6.668 1.00 0.00 H new ATOM 0 HG SER A 3 -23.630 -7.704 4.790 1.00 0.00 H new ATOM 30 N GLY A 4 -25.416 -4.354 6.633 1.00 0.00 N ATOM 31 CA GLY A 4 -25.355 -2.977 6.179 1.00 0.00 C ATOM 32 C GLY A 4 -24.529 -2.100 7.100 1.00 0.00 C ATOM 33 O GLY A 4 -23.344 -1.874 6.855 1.00 0.00 O ATOM 0 H GLY A 4 -24.828 -4.566 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.930 -2.947 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.366 -2.575 6.109 1.00 0.00 H new ATOM 37 N SER A 5 -25.158 -1.602 8.161 1.00 0.00 N ATOM 38 CA SER A 5 -24.476 -0.739 9.118 1.00 0.00 C ATOM 39 C SER A 5 -24.098 0.592 8.476 1.00 0.00 C ATOM 40 O SER A 5 -23.774 0.653 7.290 1.00 0.00 O ATOM 41 CB SER A 5 -23.223 -1.432 9.659 1.00 0.00 C ATOM 42 OG SER A 5 -23.366 -1.745 11.033 1.00 0.00 O ATOM 0 H SER A 5 -26.138 -1.782 8.379 1.00 0.00 H new ATOM 0 HA SER A 5 -25.159 -0.543 9.944 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.035 -2.344 9.093 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.357 -0.785 9.518 1.00 0.00 H new ATOM 0 HG SER A 5 -22.553 -2.188 11.354 1.00 0.00 H new ATOM 48 N SER A 6 -24.141 1.657 9.270 1.00 0.00 N ATOM 49 CA SER A 6 -23.808 2.989 8.780 1.00 0.00 C ATOM 50 C SER A 6 -23.727 3.987 9.932 1.00 0.00 C ATOM 51 O SER A 6 -24.346 3.797 10.978 1.00 0.00 O ATOM 52 CB SER A 6 -24.848 3.455 7.759 1.00 0.00 C ATOM 53 OG SER A 6 -26.109 3.659 8.372 1.00 0.00 O ATOM 0 H SER A 6 -24.403 1.623 10.255 1.00 0.00 H new ATOM 0 HA SER A 6 -22.832 2.938 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.513 4.381 7.291 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.941 2.713 6.966 1.00 0.00 H new ATOM 0 HG SER A 6 -26.755 3.958 7.699 1.00 0.00 H new ATOM 59 N GLY A 7 -22.957 5.053 9.730 1.00 0.00 N ATOM 60 CA GLY A 7 -22.808 6.066 10.759 1.00 0.00 C ATOM 61 C GLY A 7 -23.369 7.408 10.337 1.00 0.00 C ATOM 62 O GLY A 7 -22.983 7.954 9.301 1.00 0.00 O ATOM 0 H GLY A 7 -22.434 5.233 8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.312 5.734 11.667 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.752 6.178 11.004 1.00 0.00 H new ATOM 66 N LYS A 8 -24.285 7.945 11.137 1.00 0.00 N ATOM 67 CA LYS A 8 -24.900 9.232 10.841 1.00 0.00 C ATOM 68 C LYS A 8 -24.437 10.297 11.829 1.00 0.00 C ATOM 69 O LYS A 8 -24.225 10.014 13.009 1.00 0.00 O ATOM 70 CB LYS A 8 -26.426 9.112 10.882 1.00 0.00 C ATOM 71 CG LYS A 8 -27.137 10.074 9.946 1.00 0.00 C ATOM 72 CD LYS A 8 -27.280 9.489 8.551 1.00 0.00 C ATOM 73 CE LYS A 8 -28.634 9.821 7.943 1.00 0.00 C ATOM 74 NZ LYS A 8 -29.269 8.628 7.319 1.00 0.00 N ATOM 0 H LYS A 8 -24.617 7.507 11.996 1.00 0.00 H new ATOM 0 HA LYS A 8 -24.591 9.532 9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -26.709 8.091 10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -26.769 9.290 11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.123 10.310 10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -26.581 11.010 9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -26.488 9.876 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -27.155 8.407 8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -29.291 10.220 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -28.513 10.602 7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -30.190 8.896 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -28.654 8.262 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -29.408 7.891 8.040 1.00 0.00 H new ATOM 88 N LYS A 9 -24.283 11.524 11.341 1.00 0.00 N ATOM 89 CA LYS A 9 -23.847 12.632 12.182 1.00 0.00 C ATOM 90 C LYS A 9 -24.951 13.676 12.321 1.00 0.00 C ATOM 91 O LYS A 9 -25.666 13.989 11.369 1.00 0.00 O ATOM 92 CB LYS A 9 -22.589 13.279 11.597 1.00 0.00 C ATOM 93 CG LYS A 9 -21.309 12.872 12.305 1.00 0.00 C ATOM 94 CD LYS A 9 -20.123 12.871 11.357 1.00 0.00 C ATOM 95 CE LYS A 9 -19.314 14.154 11.475 1.00 0.00 C ATOM 96 NZ LYS A 9 -17.869 13.880 11.706 1.00 0.00 N ATOM 0 H LYS A 9 -24.454 11.775 10.367 1.00 0.00 H new ATOM 0 HA LYS A 9 -23.618 12.237 13.172 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.511 13.013 10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -22.692 14.363 11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -21.115 13.557 13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -21.431 11.879 12.737 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.484 12.015 11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -20.475 12.755 10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.431 14.742 10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.705 14.756 12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.353 14.780 11.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.755 13.341 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.489 13.328 10.911 1.00 0.00 H new ATOM 110 N PRO A 10 -25.094 14.230 13.534 1.00 0.00 N ATOM 111 CA PRO A 10 -26.107 15.248 13.825 1.00 0.00 C ATOM 112 C PRO A 10 -25.802 16.579 13.146 1.00 0.00 C ATOM 113 O PRO A 10 -26.618 17.500 13.173 1.00 0.00 O ATOM 114 CB PRO A 10 -26.034 15.396 15.347 1.00 0.00 C ATOM 115 CG PRO A 10 -24.650 14.974 15.702 1.00 0.00 C ATOM 116 CD PRO A 10 -24.276 13.904 14.716 1.00 0.00 C ATOM 0 HA PRO A 10 -27.092 14.960 13.458 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -26.226 16.424 15.655 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -26.778 14.771 15.842 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -23.959 15.815 15.645 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -24.608 14.595 16.723 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -23.211 13.924 14.486 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.501 12.908 15.098 1.00 0.00 H new ATOM 124 N GLU A 11 -24.625 16.672 12.536 1.00 0.00 N ATOM 125 CA GLU A 11 -24.214 17.892 11.850 1.00 0.00 C ATOM 126 C GLU A 11 -22.917 17.672 11.078 1.00 0.00 C ATOM 127 O GLU A 11 -22.202 16.696 11.308 1.00 0.00 O ATOM 128 CB GLU A 11 -24.036 19.032 12.854 1.00 0.00 C ATOM 129 CG GLU A 11 -24.919 20.237 12.571 1.00 0.00 C ATOM 130 CD GLU A 11 -25.640 20.735 13.808 1.00 0.00 C ATOM 131 OE1 GLU A 11 -26.386 19.943 14.421 1.00 0.00 O ATOM 132 OE2 GLU A 11 -25.457 21.919 14.163 1.00 0.00 O ATOM 0 H GLU A 11 -23.939 15.918 12.503 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.997 18.161 11.141 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -24.253 18.660 13.855 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -22.993 19.348 12.851 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -24.308 21.042 12.162 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -25.652 19.974 11.809 1.00 0.00 H new ATOM 139 N GLY A 12 -22.618 18.586 10.160 1.00 0.00 N ATOM 140 CA GLY A 12 -21.408 18.474 9.368 1.00 0.00 C ATOM 141 C GLY A 12 -21.631 17.722 8.070 1.00 0.00 C ATOM 142 O GLY A 12 -21.944 18.321 7.043 1.00 0.00 O ATOM 0 H GLY A 12 -23.193 19.402 9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -21.029 19.472 9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.641 17.965 9.952 1.00 0.00 H new ATOM 146 N LYS A 13 -21.469 16.404 8.118 1.00 0.00 N ATOM 147 CA LYS A 13 -21.654 15.568 6.938 1.00 0.00 C ATOM 148 C LYS A 13 -21.045 16.224 5.704 1.00 0.00 C ATOM 149 O LYS A 13 -21.734 16.860 4.906 1.00 0.00 O ATOM 150 CB LYS A 13 -23.143 15.302 6.705 1.00 0.00 C ATOM 151 CG LYS A 13 -23.665 14.077 7.437 1.00 0.00 C ATOM 152 CD LYS A 13 -24.947 14.383 8.192 1.00 0.00 C ATOM 153 CE LYS A 13 -26.177 14.050 7.360 1.00 0.00 C ATOM 154 NZ LYS A 13 -27.037 13.033 8.024 1.00 0.00 N ATOM 0 H LYS A 13 -21.210 15.892 8.961 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.144 14.620 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -23.713 16.175 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -23.318 15.178 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.846 13.274 6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.908 13.719 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.969 13.812 9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -24.966 15.438 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -26.755 14.958 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.865 13.680 6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -27.941 12.957 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -26.556 12.111 8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -27.216 13.319 9.008 1.00 0.00 H new ATOM 168 N PRO A 14 -19.723 16.067 5.542 1.00 0.00 N ATOM 169 CA PRO A 14 -18.992 16.637 4.404 1.00 0.00 C ATOM 170 C PRO A 14 -19.334 15.945 3.090 1.00 0.00 C ATOM 171 O PRO A 14 -18.750 14.917 2.748 1.00 0.00 O ATOM 172 CB PRO A 14 -17.525 16.396 4.770 1.00 0.00 C ATOM 173 CG PRO A 14 -17.550 15.221 5.685 1.00 0.00 C ATOM 174 CD PRO A 14 -18.839 15.323 6.454 1.00 0.00 C ATOM 0 HA PRO A 14 -19.239 17.686 4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -16.924 16.194 3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.090 17.268 5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.503 14.288 5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.692 15.232 6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -19.244 14.339 6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.702 15.849 7.399 1.00 0.00 H new ATOM 182 N ASP A 15 -20.285 16.515 2.358 1.00 0.00 N ATOM 183 CA ASP A 15 -20.704 15.953 1.079 1.00 0.00 C ATOM 184 C ASP A 15 -21.112 17.058 0.108 1.00 0.00 C ATOM 185 O ASP A 15 -22.057 16.899 -0.666 1.00 0.00 O ATOM 186 CB ASP A 15 -21.867 14.980 1.281 1.00 0.00 C ATOM 187 CG ASP A 15 -21.426 13.531 1.221 1.00 0.00 C ATOM 188 OD1 ASP A 15 -20.732 13.162 0.251 1.00 0.00 O ATOM 189 OD2 ASP A 15 -21.776 12.765 2.144 1.00 0.00 O ATOM 0 H ASP A 15 -20.780 17.365 2.628 1.00 0.00 H new ATOM 0 HA ASP A 15 -19.859 15.413 0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -22.336 15.174 2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.623 15.159 0.517 1.00 0.00 H new ATOM 194 N GLN A 16 -20.393 18.174 0.154 1.00 0.00 N ATOM 195 CA GLN A 16 -20.683 19.305 -0.721 1.00 0.00 C ATOM 196 C GLN A 16 -19.397 19.891 -1.294 1.00 0.00 C ATOM 197 O GLN A 16 -18.506 20.307 -0.553 1.00 0.00 O ATOM 198 CB GLN A 16 -21.453 20.383 0.044 1.00 0.00 C ATOM 199 CG GLN A 16 -22.921 20.472 -0.343 1.00 0.00 C ATOM 200 CD GLN A 16 -23.836 19.852 0.695 1.00 0.00 C ATOM 201 OE1 GLN A 16 -24.267 18.707 0.556 1.00 0.00 O ATOM 202 NE2 GLN A 16 -24.137 20.607 1.745 1.00 0.00 N ATOM 0 H GLN A 16 -19.606 18.320 0.787 1.00 0.00 H new ATOM 0 HA GLN A 16 -21.298 18.947 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.379 20.181 1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.980 21.349 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -23.193 21.518 -0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -23.072 19.972 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -23.758 21.551 1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -24.748 20.243 2.477 1.00 0.00 H new ATOM 211 N LYS A 17 -19.307 19.922 -2.619 1.00 0.00 N ATOM 212 CA LYS A 17 -18.131 20.458 -3.295 1.00 0.00 C ATOM 213 C LYS A 17 -16.859 19.782 -2.793 1.00 0.00 C ATOM 214 O LYS A 17 -15.958 20.440 -2.274 1.00 0.00 O ATOM 215 CB LYS A 17 -18.037 21.970 -3.077 1.00 0.00 C ATOM 216 CG LYS A 17 -19.267 22.729 -3.543 1.00 0.00 C ATOM 217 CD LYS A 17 -19.306 22.850 -5.057 1.00 0.00 C ATOM 218 CE LYS A 17 -20.385 23.821 -5.512 1.00 0.00 C ATOM 219 NZ LYS A 17 -20.552 23.811 -6.992 1.00 0.00 N ATOM 0 H LYS A 17 -20.035 19.582 -3.247 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.232 20.256 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.879 22.167 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -17.163 22.351 -3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -20.165 22.218 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -19.273 23.724 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.335 23.187 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.489 21.869 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -21.331 23.560 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.130 24.828 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -21.296 24.486 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.656 24.084 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -20.820 22.856 -7.305 1.00 0.00 H new ATOM 233 N PHE A 18 -16.794 18.464 -2.951 1.00 0.00 N ATOM 234 CA PHE A 18 -15.632 17.699 -2.515 1.00 0.00 C ATOM 235 C PHE A 18 -15.588 16.337 -3.203 1.00 0.00 C ATOM 236 O PHE A 18 -16.581 15.884 -3.770 1.00 0.00 O ATOM 237 CB PHE A 18 -15.658 17.514 -0.996 1.00 0.00 C ATOM 238 CG PHE A 18 -14.307 17.233 -0.403 1.00 0.00 C ATOM 239 CD1 PHE A 18 -13.289 18.170 -0.490 1.00 0.00 C ATOM 240 CD2 PHE A 18 -14.054 16.032 0.240 1.00 0.00 C ATOM 241 CE1 PHE A 18 -12.045 17.914 0.055 1.00 0.00 C ATOM 242 CE2 PHE A 18 -12.811 15.772 0.787 1.00 0.00 C ATOM 243 CZ PHE A 18 -11.806 16.714 0.694 1.00 0.00 C ATOM 0 H PHE A 18 -17.532 17.904 -3.378 1.00 0.00 H new ATOM 0 HA PHE A 18 -14.737 18.256 -2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.068 18.413 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.332 16.694 -0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -13.470 19.110 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.836 15.291 0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.260 18.652 -0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.626 14.833 1.287 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.834 16.512 1.120 1.00 0.00 H new ATOM 253 N ASP A 19 -14.428 15.692 -3.149 1.00 0.00 N ATOM 254 CA ASP A 19 -14.253 14.382 -3.766 1.00 0.00 C ATOM 255 C ASP A 19 -14.103 14.510 -5.279 1.00 0.00 C ATOM 256 O ASP A 19 -13.144 14.006 -5.862 1.00 0.00 O ATOM 257 CB ASP A 19 -15.438 13.475 -3.433 1.00 0.00 C ATOM 258 CG ASP A 19 -15.002 12.138 -2.864 1.00 0.00 C ATOM 259 OD1 ASP A 19 -14.146 12.132 -1.955 1.00 0.00 O ATOM 260 OD2 ASP A 19 -15.517 11.100 -3.329 1.00 0.00 O ATOM 0 H ASP A 19 -13.595 16.054 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.342 13.937 -3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.086 13.978 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.028 13.308 -4.334 1.00 0.00 H new ATOM 265 N GLN A 20 -15.059 15.186 -5.908 1.00 0.00 N ATOM 266 CA GLN A 20 -15.035 15.378 -7.353 1.00 0.00 C ATOM 267 C GLN A 20 -15.422 14.095 -8.080 1.00 0.00 C ATOM 268 O GLN A 20 -15.199 12.992 -7.577 1.00 0.00 O ATOM 269 CB GLN A 20 -13.646 15.834 -7.804 1.00 0.00 C ATOM 270 CG GLN A 20 -13.650 16.578 -9.130 1.00 0.00 C ATOM 271 CD GLN A 20 -12.759 17.805 -9.114 1.00 0.00 C ATOM 272 OE1 GLN A 20 -11.614 17.759 -9.563 1.00 0.00 O ATOM 273 NE2 GLN A 20 -13.281 18.910 -8.595 1.00 0.00 N ATOM 0 H GLN A 20 -15.860 15.610 -5.439 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.763 16.149 -7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.218 16.479 -7.037 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.996 14.963 -7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.320 15.905 -9.921 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.670 16.878 -9.371 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.235 18.903 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.728 19.766 -8.557 1.00 0.00 H new ATOM 282 N LYS A 21 -16.005 14.244 -9.264 1.00 0.00 N ATOM 283 CA LYS A 21 -16.422 13.097 -10.062 1.00 0.00 C ATOM 284 C LYS A 21 -15.466 12.866 -11.227 1.00 0.00 C ATOM 285 O LYS A 21 -14.871 11.796 -11.350 1.00 0.00 O ATOM 286 CB LYS A 21 -17.843 13.308 -10.589 1.00 0.00 C ATOM 287 CG LYS A 21 -18.917 12.695 -9.707 1.00 0.00 C ATOM 288 CD LYS A 21 -19.720 11.644 -10.454 1.00 0.00 C ATOM 289 CE LYS A 21 -21.138 11.536 -9.913 1.00 0.00 C ATOM 290 NZ LYS A 21 -21.354 10.262 -9.172 1.00 0.00 N ATOM 0 H LYS A 21 -16.200 15.149 -9.693 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.404 12.215 -9.422 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -18.031 14.377 -10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.918 12.880 -11.589 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.454 12.244 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.585 13.478 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.752 11.895 -11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -19.223 10.678 -10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.340 12.379 -9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -21.847 11.601 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.332 10.227 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -21.186 9.457 -9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -20.695 10.211 -8.369 1.00 0.00 H new ATOM 304 N GLN A 22 -15.321 13.877 -12.078 1.00 0.00 N ATOM 305 CA GLN A 22 -14.436 13.782 -13.232 1.00 0.00 C ATOM 306 C GLN A 22 -13.207 12.939 -12.907 1.00 0.00 C ATOM 307 O GLN A 22 -12.919 11.957 -13.591 1.00 0.00 O ATOM 308 CB GLN A 22 -14.005 15.178 -13.686 1.00 0.00 C ATOM 309 CG GLN A 22 -14.805 15.707 -14.866 1.00 0.00 C ATOM 310 CD GLN A 22 -14.267 15.228 -16.198 1.00 0.00 C ATOM 311 OE1 GLN A 22 -13.463 14.296 -16.258 1.00 0.00 O ATOM 312 NE2 GLN A 22 -14.708 15.861 -17.279 1.00 0.00 N ATOM 0 H GLN A 22 -15.805 14.771 -11.990 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.984 13.297 -14.040 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.105 15.870 -12.850 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.949 15.154 -13.955 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.844 15.394 -14.765 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -14.797 16.797 -14.846 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.374 16.628 -17.185 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.381 15.580 -18.203 1.00 0.00 H new ATOM 321 N GLU A 23 -12.487 13.329 -11.860 1.00 0.00 N ATOM 322 CA GLU A 23 -11.288 12.608 -11.447 1.00 0.00 C ATOM 323 C GLU A 23 -11.427 12.098 -10.016 1.00 0.00 C ATOM 324 O GLU A 23 -12.097 12.714 -9.186 1.00 0.00 O ATOM 325 CB GLU A 23 -10.059 13.511 -11.561 1.00 0.00 C ATOM 326 CG GLU A 23 -8.917 12.889 -12.347 1.00 0.00 C ATOM 327 CD GLU A 23 -9.007 13.174 -13.832 1.00 0.00 C ATOM 328 OE1 GLU A 23 -9.260 14.341 -14.198 1.00 0.00 O ATOM 329 OE2 GLU A 23 -8.825 12.231 -14.630 1.00 0.00 O ATOM 0 H GLU A 23 -12.712 14.139 -11.283 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.163 11.751 -12.109 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.349 14.447 -12.038 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.707 13.759 -10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.969 13.268 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.916 11.811 -12.187 1.00 0.00 H new ATOM 336 N LEU A 24 -10.790 10.967 -9.733 1.00 0.00 N ATOM 337 CA LEU A 24 -10.842 10.370 -8.403 1.00 0.00 C ATOM 338 C LEU A 24 -9.440 10.055 -7.892 1.00 0.00 C ATOM 339 O LEU A 24 -9.049 10.494 -6.812 1.00 0.00 O ATOM 340 CB LEU A 24 -11.688 9.096 -8.426 1.00 0.00 C ATOM 341 CG LEU A 24 -13.116 9.247 -8.952 1.00 0.00 C ATOM 342 CD1 LEU A 24 -13.554 7.985 -9.678 1.00 0.00 C ATOM 343 CD2 LEU A 24 -14.073 9.567 -7.813 1.00 0.00 C ATOM 0 H LEU A 24 -10.231 10.445 -10.407 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.301 11.091 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.174 8.354 -9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.736 8.697 -7.413 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.135 10.075 -9.661 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.573 8.111 -10.045 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.886 7.798 -10.519 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.518 7.139 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.084 9.671 -8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -14.049 8.760 -7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.772 10.499 -7.336 1.00 0.00 H new ATOM 355 N GLY A 25 -8.687 9.292 -8.679 1.00 0.00 N ATOM 356 CA GLY A 25 -7.336 8.932 -8.290 1.00 0.00 C ATOM 357 C GLY A 25 -7.257 7.547 -7.680 1.00 0.00 C ATOM 358 O GLY A 25 -7.838 7.293 -6.625 1.00 0.00 O ATOM 0 H GLY A 25 -8.988 8.917 -9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.685 8.978 -9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.961 9.663 -7.574 1.00 0.00 H new ATOM 362 N ARG A 26 -6.539 6.649 -8.345 1.00 0.00 N ATOM 363 CA ARG A 26 -6.388 5.282 -7.862 1.00 0.00 C ATOM 364 C ARG A 26 -4.970 5.036 -7.357 1.00 0.00 C ATOM 365 O ARG A 26 -4.040 4.863 -8.146 1.00 0.00 O ATOM 366 CB ARG A 26 -6.725 4.286 -8.974 1.00 0.00 C ATOM 367 CG ARG A 26 -8.031 4.591 -9.690 1.00 0.00 C ATOM 368 CD ARG A 26 -7.784 5.170 -11.074 1.00 0.00 C ATOM 369 NE ARG A 26 -8.536 6.402 -11.294 1.00 0.00 N ATOM 370 CZ ARG A 26 -8.546 7.062 -12.448 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.849 6.607 -13.480 1.00 0.00 N ATOM 372 NH2 ARG A 26 -9.255 8.176 -12.570 1.00 0.00 N ATOM 0 H ARG A 26 -6.052 6.843 -9.220 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.080 5.138 -7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.914 4.280 -9.702 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.779 3.284 -8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.622 3.679 -9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.616 5.295 -9.099 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.719 5.368 -11.199 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.063 4.435 -11.829 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.084 6.777 -10.520 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.304 5.749 -13.389 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.858 7.114 -14.365 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.793 8.527 -11.778 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.262 8.682 -13.456 1.00 0.00 H new ATOM 386 N VAL A 27 -4.811 5.023 -6.037 1.00 0.00 N ATOM 387 CA VAL A 27 -3.506 4.798 -5.427 1.00 0.00 C ATOM 388 C VAL A 27 -3.606 3.818 -4.262 1.00 0.00 C ATOM 389 O VAL A 27 -4.268 4.093 -3.263 1.00 0.00 O ATOM 390 CB VAL A 27 -2.887 6.115 -4.923 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.567 5.849 -4.217 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.699 7.090 -6.075 1.00 0.00 C ATOM 0 H VAL A 27 -5.570 5.166 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.864 4.376 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.571 6.566 -4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.145 6.791 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.736 5.190 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.872 5.375 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.261 8.015 -5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.036 6.650 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.665 7.305 -6.531 1.00 0.00 H new ATOM 402 N ILE A 28 -2.943 2.675 -4.401 1.00 0.00 N ATOM 403 CA ILE A 28 -2.956 1.654 -3.360 1.00 0.00 C ATOM 404 C ILE A 28 -1.902 1.941 -2.296 1.00 0.00 C ATOM 405 O ILE A 28 -0.708 1.746 -2.521 1.00 0.00 O ATOM 406 CB ILE A 28 -2.710 0.251 -3.944 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.910 -0.195 -4.782 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.437 -0.747 -2.829 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.090 -0.651 -3.954 1.00 0.00 C ATOM 0 H ILE A 28 -2.390 2.433 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.946 1.680 -2.905 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.834 0.293 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.223 0.630 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.602 -1.008 -5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.265 -1.734 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.555 -0.436 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.295 -0.787 -2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.903 -0.952 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.794 -1.497 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.425 0.167 -3.316 1.00 0.00 H new ATOM 421 N HIS A 29 -2.353 2.405 -1.134 1.00 0.00 N ATOM 422 CA HIS A 29 -1.449 2.717 -0.033 1.00 0.00 C ATOM 423 C HIS A 29 -1.112 1.462 0.767 1.00 0.00 C ATOM 424 O HIS A 29 -2.005 0.733 1.202 1.00 0.00 O ATOM 425 CB HIS A 29 -2.073 3.768 0.884 1.00 0.00 C ATOM 426 CG HIS A 29 -1.131 4.290 1.926 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.555 4.921 3.075 1.00 0.00 N ATOM 428 CD2 HIS A 29 0.221 4.270 1.986 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.505 5.268 3.798 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.585 4.884 3.159 1.00 0.00 N ATOM 0 H HIS A 29 -3.338 2.573 -0.931 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.526 3.115 -0.455 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.429 4.601 0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -2.944 3.337 1.377 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.889 3.850 1.249 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.533 5.779 4.749 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.542 5.021 3.484 1.00 0.00 H new ATOM 438 N LEU A 30 0.179 1.215 0.956 1.00 0.00 N ATOM 439 CA LEU A 30 0.633 0.047 1.702 1.00 0.00 C ATOM 440 C LEU A 30 1.422 0.465 2.939 1.00 0.00 C ATOM 441 O LEU A 30 2.599 0.815 2.848 1.00 0.00 O ATOM 442 CB LEU A 30 1.496 -0.848 0.812 1.00 0.00 C ATOM 443 CG LEU A 30 0.784 -1.500 -0.374 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.796 -2.064 -1.360 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.162 -2.592 0.105 1.00 0.00 C ATOM 0 H LEU A 30 0.930 1.808 0.603 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.246 -0.511 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.327 -0.254 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.925 -1.636 1.431 1.00 0.00 H new ATOM 0 HG LEU A 30 0.197 -0.737 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.271 -2.524 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.432 -1.259 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.411 -2.813 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.660 -3.044 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.404 -3.355 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.909 -2.160 0.771 1.00 0.00 H new ATOM 457 N SER A 31 0.767 0.424 4.095 1.00 0.00 N ATOM 458 CA SER A 31 1.406 0.800 5.351 1.00 0.00 C ATOM 459 C SER A 31 1.808 -0.438 6.147 1.00 0.00 C ATOM 460 O SER A 31 1.208 -1.502 6.006 1.00 0.00 O ATOM 461 CB SER A 31 0.469 1.674 6.184 1.00 0.00 C ATOM 462 OG SER A 31 0.094 2.842 5.473 1.00 0.00 O ATOM 0 H SER A 31 -0.206 0.134 4.188 1.00 0.00 H new ATOM 0 HA SER A 31 2.306 1.368 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.422 1.106 6.451 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.960 1.954 7.116 1.00 0.00 H new ATOM 0 HG SER A 31 0.728 2.998 4.742 1.00 0.00 H new ATOM 468 N ASN A 32 2.829 -0.289 6.985 1.00 0.00 N ATOM 469 CA ASN A 32 3.312 -1.394 7.805 1.00 0.00 C ATOM 470 C ASN A 32 3.975 -2.462 6.941 1.00 0.00 C ATOM 471 O ASN A 32 3.676 -3.651 7.065 1.00 0.00 O ATOM 472 CB ASN A 32 2.159 -2.009 8.601 1.00 0.00 C ATOM 473 CG ASN A 32 2.631 -2.684 9.874 1.00 0.00 C ATOM 474 OD1 ASN A 32 2.751 -2.046 10.920 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.900 -3.982 9.790 1.00 0.00 N ATOM 0 H ASN A 32 3.338 0.586 7.114 1.00 0.00 H new ATOM 0 HA ASN A 32 4.054 -1.001 8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.438 -1.231 8.851 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.639 -2.737 7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.221 -4.491 10.614 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.786 -4.470 8.902 1.00 0.00 H new ATOM 482 N LEU A 33 4.878 -2.032 6.067 1.00 0.00 N ATOM 483 CA LEU A 33 5.585 -2.952 5.181 1.00 0.00 C ATOM 484 C LEU A 33 6.808 -3.542 5.875 1.00 0.00 C ATOM 485 O LEU A 33 7.382 -2.949 6.788 1.00 0.00 O ATOM 486 CB LEU A 33 6.009 -2.232 3.900 1.00 0.00 C ATOM 487 CG LEU A 33 4.888 -1.893 2.918 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.380 -0.918 1.860 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.347 -3.160 2.268 1.00 0.00 C ATOM 0 H LEU A 33 5.138 -1.052 5.952 1.00 0.00 H new ATOM 0 HA LEU A 33 4.907 -3.766 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.514 -1.307 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.742 -2.852 3.384 1.00 0.00 H new ATOM 0 HG LEU A 33 4.078 -1.417 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.568 -0.689 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.718 0.000 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.208 -1.365 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.550 -2.900 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.149 -3.663 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.954 -3.825 3.038 1.00 0.00 H new ATOM 501 N PRO A 34 7.220 -4.740 5.432 1.00 0.00 N ATOM 502 CA PRO A 34 8.380 -5.437 5.994 1.00 0.00 C ATOM 503 C PRO A 34 9.695 -4.746 5.646 1.00 0.00 C ATOM 504 O PRO A 34 9.705 -3.603 5.189 1.00 0.00 O ATOM 505 CB PRO A 34 8.314 -6.820 5.343 1.00 0.00 C ATOM 506 CG PRO A 34 7.572 -6.604 4.069 1.00 0.00 C ATOM 507 CD PRO A 34 6.583 -5.506 4.346 1.00 0.00 C ATOM 0 HA PRO A 34 8.352 -5.463 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.312 -7.218 5.158 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.799 -7.535 5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.252 -6.323 3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.065 -7.516 3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.412 -4.888 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.615 -5.904 4.649 1.00 0.00 H new ATOM 515 N HIS A 35 10.802 -5.448 5.863 1.00 0.00 N ATOM 516 CA HIS A 35 12.123 -4.903 5.571 1.00 0.00 C ATOM 517 C HIS A 35 13.179 -6.005 5.571 1.00 0.00 C ATOM 518 O HIS A 35 14.184 -5.915 6.276 1.00 0.00 O ATOM 519 CB HIS A 35 12.492 -3.828 6.594 1.00 0.00 C ATOM 520 CG HIS A 35 13.298 -2.704 6.017 1.00 0.00 C ATOM 521 ND1 HIS A 35 12.927 -1.381 6.124 1.00 0.00 N ATOM 522 CD2 HIS A 35 14.461 -2.713 5.327 1.00 0.00 C ATOM 523 CE1 HIS A 35 13.826 -0.623 5.523 1.00 0.00 C ATOM 524 NE2 HIS A 35 14.770 -1.408 5.031 1.00 0.00 N ATOM 0 H HIS A 35 10.811 -6.396 6.240 1.00 0.00 H new ATOM 0 HA HIS A 35 12.092 -4.454 4.578 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.578 -3.423 7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.055 -4.288 7.406 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.039 -3.585 5.059 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.796 0.454 5.446 1.00 0.00 H new ATOM 0 HE2 HIS A 35 15.593 -1.095 4.516 1.00 0.00 H new ATOM 532 N SER A 36 12.941 -7.045 4.778 1.00 0.00 N ATOM 533 CA SER A 36 13.869 -8.167 4.690 1.00 0.00 C ATOM 534 C SER A 36 14.735 -8.059 3.439 1.00 0.00 C ATOM 535 O SER A 36 15.123 -9.066 2.849 1.00 0.00 O ATOM 536 CB SER A 36 13.102 -9.490 4.680 1.00 0.00 C ATOM 537 OG SER A 36 13.057 -10.062 5.976 1.00 0.00 O ATOM 0 H SER A 36 12.114 -7.134 4.188 1.00 0.00 H new ATOM 0 HA SER A 36 14.519 -8.138 5.564 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.088 -9.324 4.317 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.578 -10.185 3.988 1.00 0.00 H new ATOM 0 HG SER A 36 12.560 -10.906 5.944 1.00 0.00 H new ATOM 543 N GLY A 37 15.034 -6.826 3.037 1.00 0.00 N ATOM 544 CA GLY A 37 15.851 -6.608 1.859 1.00 0.00 C ATOM 545 C GLY A 37 15.191 -7.115 0.592 1.00 0.00 C ATOM 546 O GLY A 37 15.846 -7.716 -0.260 1.00 0.00 O ATOM 0 H GLY A 37 14.724 -5.975 3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.057 -5.543 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.811 -7.107 1.989 1.00 0.00 H new ATOM 550 N TYR A 38 13.890 -6.876 0.468 1.00 0.00 N ATOM 551 CA TYR A 38 13.139 -7.317 -0.700 1.00 0.00 C ATOM 552 C TYR A 38 13.163 -6.256 -1.796 1.00 0.00 C ATOM 553 O TYR A 38 13.595 -5.124 -1.571 1.00 0.00 O ATOM 554 CB TYR A 38 11.693 -7.634 -0.315 1.00 0.00 C ATOM 555 CG TYR A 38 10.995 -6.501 0.401 1.00 0.00 C ATOM 556 CD1 TYR A 38 11.102 -6.351 1.777 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.229 -5.577 -0.302 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.463 -5.317 2.435 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.590 -4.540 0.348 1.00 0.00 C ATOM 560 CZ TYR A 38 9.709 -4.414 1.716 1.00 0.00 C ATOM 561 OH TYR A 38 9.074 -3.382 2.368 1.00 0.00 O ATOM 0 H TYR A 38 13.334 -6.379 1.163 1.00 0.00 H new ATOM 0 HA TYR A 38 13.612 -8.221 -1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.132 -7.883 -1.216 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.681 -8.518 0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.695 -7.054 2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.133 -5.672 -1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.554 -5.217 3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.999 -3.831 -0.213 1.00 0.00 H new ATOM 0 HH TYR A 38 9.282 -3.422 3.325 1.00 0.00 H new ATOM 571 N SER A 39 12.697 -6.628 -2.984 1.00 0.00 N ATOM 572 CA SER A 39 12.667 -5.711 -4.116 1.00 0.00 C ATOM 573 C SER A 39 11.275 -5.115 -4.296 1.00 0.00 C ATOM 574 O SER A 39 10.266 -5.788 -4.083 1.00 0.00 O ATOM 575 CB SER A 39 13.094 -6.432 -5.396 1.00 0.00 C ATOM 576 OG SER A 39 14.500 -6.369 -5.571 1.00 0.00 O ATOM 0 H SER A 39 12.335 -7.560 -3.187 1.00 0.00 H new ATOM 0 HA SER A 39 13.367 -4.901 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.776 -7.474 -5.354 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.597 -5.981 -6.255 1.00 0.00 H new ATOM 0 HG SER A 39 14.748 -6.838 -6.395 1.00 0.00 H new ATOM 582 N ASP A 40 11.226 -3.846 -4.689 1.00 0.00 N ATOM 583 CA ASP A 40 9.958 -3.158 -4.900 1.00 0.00 C ATOM 584 C ASP A 40 8.927 -4.096 -5.519 1.00 0.00 C ATOM 585 O ASP A 40 7.744 -4.043 -5.183 1.00 0.00 O ATOM 586 CB ASP A 40 10.160 -1.936 -5.797 1.00 0.00 C ATOM 587 CG ASP A 40 11.293 -2.124 -6.786 1.00 0.00 C ATOM 588 OD1 ASP A 40 12.448 -1.809 -6.431 1.00 0.00 O ATOM 589 OD2 ASP A 40 11.025 -2.588 -7.913 1.00 0.00 O ATOM 0 H ASP A 40 12.051 -3.273 -4.868 1.00 0.00 H new ATOM 0 HA ASP A 40 9.585 -2.829 -3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.238 -1.732 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.364 -1.063 -5.177 1.00 0.00 H new ATOM 594 N SER A 41 9.384 -4.953 -6.427 1.00 0.00 N ATOM 595 CA SER A 41 8.501 -5.899 -7.098 1.00 0.00 C ATOM 596 C SER A 41 7.619 -6.627 -6.089 1.00 0.00 C ATOM 597 O SER A 41 6.395 -6.648 -6.219 1.00 0.00 O ATOM 598 CB SER A 41 9.319 -6.912 -7.902 1.00 0.00 C ATOM 599 OG SER A 41 8.953 -6.892 -9.271 1.00 0.00 O ATOM 0 H SER A 41 10.361 -5.011 -6.715 1.00 0.00 H new ATOM 0 HA SER A 41 7.860 -5.339 -7.779 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.381 -6.687 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.166 -7.912 -7.496 1.00 0.00 H new ATOM 0 HG SER A 41 9.491 -7.547 -9.763 1.00 0.00 H new ATOM 605 N ALA A 42 8.250 -7.225 -5.084 1.00 0.00 N ATOM 606 CA ALA A 42 7.523 -7.954 -4.051 1.00 0.00 C ATOM 607 C ALA A 42 6.324 -7.153 -3.555 1.00 0.00 C ATOM 608 O ALA A 42 5.265 -7.713 -3.270 1.00 0.00 O ATOM 609 CB ALA A 42 8.450 -8.292 -2.892 1.00 0.00 C ATOM 0 H ALA A 42 9.263 -7.219 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 42 7.152 -8.881 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.894 -8.836 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.272 -8.910 -3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.848 -7.372 -2.464 1.00 0.00 H new ATOM 615 N VAL A 43 6.497 -5.838 -3.452 1.00 0.00 N ATOM 616 CA VAL A 43 5.429 -4.961 -2.990 1.00 0.00 C ATOM 617 C VAL A 43 4.328 -4.838 -4.037 1.00 0.00 C ATOM 618 O VAL A 43 3.163 -4.613 -3.705 1.00 0.00 O ATOM 619 CB VAL A 43 5.963 -3.555 -2.656 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.815 -2.569 -2.505 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.812 -3.595 -1.393 1.00 0.00 C ATOM 0 H VAL A 43 7.367 -5.358 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 43 5.019 -5.411 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 43 6.592 -3.219 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.212 -1.582 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.252 -2.521 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.157 -2.897 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.181 -2.594 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.207 -3.952 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.656 -4.268 -1.543 1.00 0.00 H new ATOM 631 N LEU A 44 4.703 -4.987 -5.303 1.00 0.00 N ATOM 632 CA LEU A 44 3.746 -4.893 -6.400 1.00 0.00 C ATOM 633 C LEU A 44 3.126 -6.254 -6.699 1.00 0.00 C ATOM 634 O LEU A 44 2.152 -6.355 -7.446 1.00 0.00 O ATOM 635 CB LEU A 44 4.431 -4.345 -7.653 1.00 0.00 C ATOM 636 CG LEU A 44 5.485 -3.262 -7.423 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.317 -3.050 -8.680 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.827 -1.959 -6.992 1.00 0.00 C ATOM 0 H LEU A 44 5.662 -5.173 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 44 2.951 -4.211 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.902 -5.176 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.664 -3.943 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 44 6.148 -3.593 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.062 -2.275 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.819 -3.981 -8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.667 -2.742 -9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.593 -1.200 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.140 -1.624 -7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.276 -2.119 -6.065 1.00 0.00 H new ATOM 650 N LYS A 45 3.695 -7.300 -6.110 1.00 0.00 N ATOM 651 CA LYS A 45 3.197 -8.656 -6.310 1.00 0.00 C ATOM 652 C LYS A 45 1.767 -8.791 -5.799 1.00 0.00 C ATOM 653 O LYS A 45 0.950 -9.500 -6.389 1.00 0.00 O ATOM 654 CB LYS A 45 4.102 -9.664 -5.597 1.00 0.00 C ATOM 655 CG LYS A 45 5.044 -10.402 -6.533 1.00 0.00 C ATOM 656 CD LYS A 45 6.111 -11.163 -5.763 1.00 0.00 C ATOM 657 CE LYS A 45 6.104 -12.642 -6.114 1.00 0.00 C ATOM 658 NZ LYS A 45 6.347 -13.497 -4.919 1.00 0.00 N ATOM 0 H LYS A 45 4.502 -7.235 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 45 3.203 -8.864 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.689 -9.142 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.481 -10.390 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.475 -11.096 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.519 -9.690 -7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.091 -10.740 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.945 -11.041 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.145 -12.905 -6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.869 -12.841 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.335 -14.498 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.274 -13.264 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.603 -13.326 -4.213 1.00 0.00 H new ATOM 672 N LEU A 46 1.468 -8.106 -4.701 1.00 0.00 N ATOM 673 CA LEU A 46 0.135 -8.148 -4.110 1.00 0.00 C ATOM 674 C LEU A 46 -0.862 -7.368 -4.962 1.00 0.00 C ATOM 675 O LEU A 46 -2.073 -7.495 -4.788 1.00 0.00 O ATOM 676 CB LEU A 46 0.166 -7.580 -2.691 1.00 0.00 C ATOM 677 CG LEU A 46 1.278 -6.572 -2.396 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.849 -5.611 -1.297 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.560 -7.293 -2.005 1.00 0.00 C ATOM 0 H LEU A 46 2.132 -7.514 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.186 -9.189 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.793 -7.102 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.260 -8.410 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 46 1.470 -5.995 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.652 -4.901 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.043 -5.071 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.630 -6.172 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.341 -6.561 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.382 -7.895 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.877 -7.941 -2.822 1.00 0.00 H new ATOM 691 N ALA A 47 -0.343 -6.564 -5.883 1.00 0.00 N ATOM 692 CA ALA A 47 -1.188 -5.767 -6.765 1.00 0.00 C ATOM 693 C ALA A 47 -1.011 -6.185 -8.220 1.00 0.00 C ATOM 694 O ALA A 47 -1.674 -5.657 -9.111 1.00 0.00 O ATOM 695 CB ALA A 47 -0.877 -4.287 -6.597 1.00 0.00 C ATOM 0 H ALA A 47 0.658 -6.447 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.228 -5.943 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.515 -3.704 -7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.062 -3.991 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.169 -4.104 -6.845 1.00 0.00 H new ATOM 701 N GLU A 48 -0.111 -7.136 -8.453 1.00 0.00 N ATOM 702 CA GLU A 48 0.153 -7.623 -9.802 1.00 0.00 C ATOM 703 C GLU A 48 -1.093 -8.271 -10.400 1.00 0.00 C ATOM 704 O GLU A 48 -1.620 -7.835 -11.423 1.00 0.00 O ATOM 705 CB GLU A 48 1.307 -8.627 -9.789 1.00 0.00 C ATOM 706 CG GLU A 48 2.642 -8.026 -10.195 1.00 0.00 C ATOM 707 CD GLU A 48 3.437 -8.936 -11.110 1.00 0.00 C ATOM 708 OE1 GLU A 48 3.094 -9.020 -12.309 1.00 0.00 O ATOM 709 OE2 GLU A 48 4.403 -9.564 -10.629 1.00 0.00 O ATOM 0 H GLU A 48 0.447 -7.584 -7.726 1.00 0.00 H new ATOM 0 HA GLU A 48 0.430 -6.770 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.398 -9.050 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.069 -9.450 -10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.470 -7.073 -10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.228 -7.814 -9.301 1.00 0.00 H new ATOM 716 N PRO A 49 -1.575 -9.339 -9.747 1.00 0.00 N ATOM 717 CA PRO A 49 -2.763 -10.071 -10.195 1.00 0.00 C ATOM 718 C PRO A 49 -4.043 -9.262 -10.017 1.00 0.00 C ATOM 719 O PRO A 49 -5.140 -9.746 -10.299 1.00 0.00 O ATOM 720 CB PRO A 49 -2.781 -11.306 -9.292 1.00 0.00 C ATOM 721 CG PRO A 49 -2.048 -10.888 -8.065 1.00 0.00 C ATOM 722 CD PRO A 49 -0.996 -9.914 -8.521 1.00 0.00 C ATOM 0 HA PRO A 49 -2.720 -10.305 -11.259 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.801 -11.611 -9.059 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.296 -12.155 -9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.723 -10.424 -7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.596 -11.747 -7.569 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.804 -9.148 -7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.046 -10.411 -8.719 1.00 0.00 H new ATOM 730 N TYR A 50 -3.897 -8.028 -9.549 1.00 0.00 N ATOM 731 CA TYR A 50 -5.043 -7.152 -9.331 1.00 0.00 C ATOM 732 C TYR A 50 -5.254 -6.226 -10.525 1.00 0.00 C ATOM 733 O TYR A 50 -6.387 -5.912 -10.889 1.00 0.00 O ATOM 734 CB TYR A 50 -4.846 -6.326 -8.058 1.00 0.00 C ATOM 735 CG TYR A 50 -5.123 -7.097 -6.787 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.148 -7.906 -6.216 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.359 -7.017 -6.159 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.397 -8.612 -5.055 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.616 -7.719 -4.997 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.633 -8.515 -4.450 1.00 0.00 C ATOM 741 OH TYR A 50 -5.885 -9.217 -3.293 1.00 0.00 O ATOM 0 H TYR A 50 -2.997 -7.611 -9.313 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.929 -7.776 -9.217 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.822 -5.954 -8.031 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.501 -5.455 -8.095 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.180 -7.984 -6.688 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.132 -6.396 -6.586 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.629 -9.236 -4.623 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.582 -7.644 -4.520 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.112 -8.591 -2.574 1.00 0.00 H new ATOM 751 N GLY A 51 -4.154 -5.791 -11.130 1.00 0.00 N ATOM 752 CA GLY A 51 -4.239 -4.905 -12.277 1.00 0.00 C ATOM 753 C GLY A 51 -2.875 -4.484 -12.786 1.00 0.00 C ATOM 754 O GLY A 51 -1.858 -4.727 -12.136 1.00 0.00 O ATOM 0 H GLY A 51 -3.205 -6.036 -10.847 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.784 -5.404 -13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.812 -4.018 -12.006 1.00 0.00 H new ATOM 758 N LYS A 52 -2.850 -3.849 -13.953 1.00 0.00 N ATOM 759 CA LYS A 52 -1.603 -3.393 -14.551 1.00 0.00 C ATOM 760 C LYS A 52 -0.993 -2.256 -13.737 1.00 0.00 C ATOM 761 O LYS A 52 -1.585 -1.183 -13.610 1.00 0.00 O ATOM 762 CB LYS A 52 -1.840 -2.931 -15.991 1.00 0.00 C ATOM 763 CG LYS A 52 -1.471 -3.973 -17.032 1.00 0.00 C ATOM 764 CD LYS A 52 -0.189 -3.604 -17.760 1.00 0.00 C ATOM 765 CE LYS A 52 0.536 -4.839 -18.273 1.00 0.00 C ATOM 766 NZ LYS A 52 1.160 -4.602 -19.605 1.00 0.00 N ATOM 0 H LYS A 52 -3.682 -3.639 -14.504 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.905 -4.231 -14.555 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.891 -2.666 -16.111 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.260 -2.026 -16.173 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.351 -4.943 -16.550 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.283 -4.073 -17.752 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.421 -2.944 -18.596 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.466 -3.049 -17.088 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.305 -5.132 -17.558 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.166 -5.670 -18.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.644 -5.467 -19.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.423 -4.347 -20.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.849 -3.826 -19.533 1.00 0.00 H new ATOM 780 N ILE A 53 0.193 -2.498 -13.187 1.00 0.00 N ATOM 781 CA ILE A 53 0.882 -1.493 -12.387 1.00 0.00 C ATOM 782 C ILE A 53 1.396 -0.353 -13.260 1.00 0.00 C ATOM 783 O ILE A 53 2.499 -0.421 -13.805 1.00 0.00 O ATOM 784 CB ILE A 53 2.065 -2.105 -11.612 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.562 -3.148 -10.612 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.851 -1.014 -10.899 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.444 -4.373 -10.523 1.00 0.00 C ATOM 0 H ILE A 53 0.696 -3.380 -13.281 1.00 0.00 H new ATOM 0 HA ILE A 53 0.155 -1.103 -11.675 1.00 0.00 H new ATOM 0 HB ILE A 53 2.729 -2.600 -12.321 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.490 -2.689 -9.626 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.555 -3.455 -10.895 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.683 -1.461 -10.356 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.235 -0.304 -11.632 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.198 -0.494 -10.198 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.027 -5.069 -9.796 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.496 -4.856 -11.499 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.446 -4.078 -10.210 1.00 0.00 H new ATOM 799 N LYS A 54 0.592 0.697 -13.388 1.00 0.00 N ATOM 800 CA LYS A 54 0.966 1.854 -14.191 1.00 0.00 C ATOM 801 C LYS A 54 2.049 2.673 -13.496 1.00 0.00 C ATOM 802 O LYS A 54 2.897 3.279 -14.149 1.00 0.00 O ATOM 803 CB LYS A 54 -0.259 2.732 -14.459 1.00 0.00 C ATOM 804 CG LYS A 54 -0.765 2.652 -15.889 1.00 0.00 C ATOM 805 CD LYS A 54 -1.259 1.256 -16.228 1.00 0.00 C ATOM 806 CE LYS A 54 -0.197 0.451 -16.960 1.00 0.00 C ATOM 807 NZ LYS A 54 -0.714 -0.118 -18.236 1.00 0.00 N ATOM 0 H LYS A 54 -0.324 0.770 -12.945 1.00 0.00 H new ATOM 0 HA LYS A 54 1.362 1.493 -15.140 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.061 2.438 -13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.010 3.768 -14.228 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.573 3.369 -16.031 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.034 2.933 -16.575 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.543 0.737 -15.312 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.154 1.326 -16.846 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.662 1.088 -17.168 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.153 -0.357 -16.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.040 -0.660 -18.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.518 -0.746 -18.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.025 0.654 -18.860 1.00 0.00 H new ATOM 821 N ASN A 55 2.014 2.685 -12.168 1.00 0.00 N ATOM 822 CA ASN A 55 2.994 3.428 -11.384 1.00 0.00 C ATOM 823 C ASN A 55 3.017 2.941 -9.938 1.00 0.00 C ATOM 824 O ASN A 55 1.992 2.526 -9.395 1.00 0.00 O ATOM 825 CB ASN A 55 2.680 4.924 -11.424 1.00 0.00 C ATOM 826 CG ASN A 55 3.894 5.761 -11.782 1.00 0.00 C ATOM 827 OD1 ASN A 55 3.926 6.414 -12.825 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.900 5.743 -10.915 1.00 0.00 N ATOM 0 H ASN A 55 1.318 2.189 -11.612 1.00 0.00 H new ATOM 0 HA ASN A 55 3.977 3.257 -11.822 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.889 5.107 -12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.299 5.239 -10.452 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.744 6.285 -11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.829 5.187 -10.063 1.00 0.00 H new ATOM 835 N TYR A 56 4.191 2.995 -9.320 1.00 0.00 N ATOM 836 CA TYR A 56 4.348 2.558 -7.938 1.00 0.00 C ATOM 837 C TYR A 56 5.396 3.400 -7.217 1.00 0.00 C ATOM 838 O TYR A 56 6.227 4.053 -7.848 1.00 0.00 O ATOM 839 CB TYR A 56 4.744 1.081 -7.890 1.00 0.00 C ATOM 840 CG TYR A 56 6.215 0.840 -8.147 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.698 0.680 -9.439 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.121 0.773 -7.095 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.041 0.458 -9.678 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.467 0.554 -7.325 1.00 0.00 C ATOM 845 CZ TYR A 56 8.920 0.396 -8.617 1.00 0.00 C ATOM 846 OH TYR A 56 10.258 0.177 -8.852 1.00 0.00 O ATOM 0 H TYR A 56 5.048 3.337 -9.754 1.00 0.00 H new ATOM 0 HA TYR A 56 3.392 2.688 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.483 0.675 -6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.160 0.533 -8.629 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.012 0.730 -10.272 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.768 0.894 -6.081 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.400 0.334 -10.689 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.159 0.507 -6.497 1.00 0.00 H new ATOM 0 HH TYR A 56 10.772 0.396 -8.047 1.00 0.00 H new ATOM 856 N ILE A 57 5.349 3.380 -5.889 1.00 0.00 N ATOM 857 CA ILE A 57 6.293 4.141 -5.080 1.00 0.00 C ATOM 858 C ILE A 57 6.740 3.342 -3.860 1.00 0.00 C ATOM 859 O ILE A 57 5.915 2.826 -3.105 1.00 0.00 O ATOM 860 CB ILE A 57 5.685 5.476 -4.610 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.655 6.481 -5.763 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.475 6.033 -3.435 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.982 7.166 -6.002 1.00 0.00 C ATOM 0 H ILE A 57 4.667 2.845 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 57 7.156 4.347 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 57 4.661 5.297 -4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.351 5.967 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.897 7.237 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.033 6.976 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.450 5.321 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.508 6.201 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.886 7.864 -6.833 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.278 7.709 -5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.739 6.419 -6.241 1.00 0.00 H new ATOM 875 N LEU A 58 8.052 3.244 -3.672 1.00 0.00 N ATOM 876 CA LEU A 58 8.609 2.510 -2.542 1.00 0.00 C ATOM 877 C LEU A 58 9.372 3.445 -1.608 1.00 0.00 C ATOM 878 O LEU A 58 10.528 3.782 -1.859 1.00 0.00 O ATOM 879 CB LEU A 58 9.537 1.399 -3.038 1.00 0.00 C ATOM 880 CG LEU A 58 9.152 -0.026 -2.638 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.184 -0.182 -1.126 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.776 -0.380 -3.184 1.00 0.00 C ATOM 0 H LEU A 58 8.749 3.664 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 58 7.783 2.065 -1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.583 1.450 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.542 1.600 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 58 9.880 -0.714 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.907 -1.202 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.189 0.029 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.479 0.515 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.518 -1.397 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.036 0.312 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.787 -0.309 -4.272 1.00 0.00 H new ATOM 894 N MET A 59 8.716 3.857 -0.528 1.00 0.00 N ATOM 895 CA MET A 59 9.332 4.750 0.446 1.00 0.00 C ATOM 896 C MET A 59 9.883 3.964 1.633 1.00 0.00 C ATOM 897 O MET A 59 9.150 3.234 2.299 1.00 0.00 O ATOM 898 CB MET A 59 8.320 5.788 0.932 1.00 0.00 C ATOM 899 CG MET A 59 7.789 6.684 -0.174 1.00 0.00 C ATOM 900 SD MET A 59 6.622 7.918 0.431 1.00 0.00 S ATOM 901 CE MET A 59 5.724 8.301 -1.071 1.00 0.00 C ATOM 0 H MET A 59 7.758 3.587 -0.305 1.00 0.00 H new ATOM 0 HA MET A 59 10.160 5.263 -0.043 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.483 5.274 1.405 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.787 6.408 1.698 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.624 7.188 -0.661 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.302 6.070 -0.931 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.940 9.026 -0.852 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.409 8.719 -1.808 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.275 7.391 -1.469 1.00 0.00 H new ATOM 911 N ARG A 60 11.178 4.117 1.890 1.00 0.00 N ATOM 912 CA ARG A 60 11.826 3.421 2.994 1.00 0.00 C ATOM 913 C ARG A 60 11.660 4.197 4.298 1.00 0.00 C ATOM 914 O ARG A 60 11.863 3.655 5.384 1.00 0.00 O ATOM 915 CB ARG A 60 13.311 3.217 2.695 1.00 0.00 C ATOM 916 CG ARG A 60 13.595 2.009 1.817 1.00 0.00 C ATOM 917 CD ARG A 60 12.893 2.120 0.473 1.00 0.00 C ATOM 918 NE ARG A 60 13.063 0.914 -0.335 1.00 0.00 N ATOM 919 CZ ARG A 60 14.216 0.557 -0.890 1.00 0.00 C ATOM 920 NH1 ARG A 60 15.296 1.309 -0.725 1.00 0.00 N ATOM 921 NH2 ARG A 60 14.290 -0.554 -1.611 1.00 0.00 N ATOM 0 H ARG A 60 11.799 4.717 1.348 1.00 0.00 H new ATOM 0 HA ARG A 60 11.349 2.448 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.701 4.110 2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.851 3.107 3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.670 1.916 1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.267 1.103 2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.830 2.302 0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.285 2.979 -0.071 1.00 0.00 H new ATOM 0 HE ARG A 60 12.252 0.313 -0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.243 2.164 -0.171 1.00 0.00 H new ATOM 0 HH12 ARG A 60 16.180 1.033 -1.152 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.461 -1.135 -1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.176 -0.828 -2.037 1.00 0.00 H new ATOM 935 N MET A 61 11.291 5.468 4.181 1.00 0.00 N ATOM 936 CA MET A 61 11.098 6.318 5.350 1.00 0.00 C ATOM 937 C MET A 61 10.301 5.589 6.427 1.00 0.00 C ATOM 938 O MET A 61 10.870 5.037 7.368 1.00 0.00 O ATOM 939 CB MET A 61 10.381 7.611 4.955 1.00 0.00 C ATOM 940 CG MET A 61 11.308 8.670 4.381 1.00 0.00 C ATOM 941 SD MET A 61 12.637 9.117 5.514 1.00 0.00 S ATOM 942 CE MET A 61 13.975 8.108 4.880 1.00 0.00 C ATOM 0 H MET A 61 11.120 5.932 3.289 1.00 0.00 H new ATOM 0 HA MET A 61 12.080 6.565 5.754 1.00 0.00 H new ATOM 0 HB2 MET A 61 9.609 7.379 4.221 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.876 8.018 5.831 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.738 8.304 3.449 1.00 0.00 H new ATOM 0 HG3 MET A 61 10.729 9.561 4.137 1.00 0.00 H new ATOM 0 HE1 MET A 61 14.535 7.681 5.712 1.00 0.00 H new ATOM 0 HE2 MET A 61 13.566 7.304 4.268 1.00 0.00 H new ATOM 0 HE3 MET A 61 14.639 8.724 4.274 1.00 0.00 H new ATOM 952 N LYS A 62 8.980 5.590 6.281 1.00 0.00 N ATOM 953 CA LYS A 62 8.103 4.927 7.239 1.00 0.00 C ATOM 954 C LYS A 62 7.601 3.598 6.688 1.00 0.00 C ATOM 955 O LYS A 62 6.472 3.190 6.961 1.00 0.00 O ATOM 956 CB LYS A 62 6.917 5.830 7.585 1.00 0.00 C ATOM 957 CG LYS A 62 7.273 6.971 8.523 1.00 0.00 C ATOM 958 CD LYS A 62 6.046 7.781 8.907 1.00 0.00 C ATOM 959 CE LYS A 62 6.004 8.054 10.403 1.00 0.00 C ATOM 960 NZ LYS A 62 4.728 8.703 10.812 1.00 0.00 N ATOM 0 H LYS A 62 8.493 6.043 5.508 1.00 0.00 H new ATOM 0 HA LYS A 62 8.678 4.730 8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.505 6.243 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.133 5.226 8.042 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.742 6.571 9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.005 7.622 8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.048 8.726 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.146 7.243 8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.126 7.117 10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.842 8.694 10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.738 8.873 11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.624 9.609 10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.930 8.081 10.572 1.00 0.00 H new ATOM 974 N SER A 63 8.446 2.925 5.914 1.00 0.00 N ATOM 975 CA SER A 63 8.086 1.642 5.322 1.00 0.00 C ATOM 976 C SER A 63 6.713 1.716 4.660 1.00 0.00 C ATOM 977 O SER A 63 5.846 0.878 4.910 1.00 0.00 O ATOM 978 CB SER A 63 8.093 0.545 6.389 1.00 0.00 C ATOM 979 OG SER A 63 9.339 -0.128 6.420 1.00 0.00 O ATOM 0 H SER A 63 9.386 3.247 5.682 1.00 0.00 H new ATOM 0 HA SER A 63 8.825 1.401 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.888 0.982 7.366 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.295 -0.169 6.186 1.00 0.00 H new ATOM 0 HG SER A 63 9.318 -0.823 7.111 1.00 0.00 H new ATOM 985 N GLN A 64 6.523 2.724 3.814 1.00 0.00 N ATOM 986 CA GLN A 64 5.257 2.907 3.118 1.00 0.00 C ATOM 987 C GLN A 64 5.450 2.828 1.607 1.00 0.00 C ATOM 988 O GLN A 64 6.550 3.047 1.099 1.00 0.00 O ATOM 989 CB GLN A 64 4.633 4.252 3.494 1.00 0.00 C ATOM 990 CG GLN A 64 4.307 4.378 4.973 1.00 0.00 C ATOM 991 CD GLN A 64 3.419 5.569 5.276 1.00 0.00 C ATOM 992 OE1 GLN A 64 3.159 6.402 4.407 1.00 0.00 O ATOM 993 NE2 GLN A 64 2.948 5.657 6.514 1.00 0.00 N ATOM 0 H GLN A 64 7.230 3.426 3.595 1.00 0.00 H new ATOM 0 HA GLN A 64 4.585 2.105 3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.317 5.052 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.720 4.394 2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.814 3.467 5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.234 4.468 5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.189 4.944 7.203 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.346 6.437 6.776 1.00 0.00 H new ATOM 1002 N ALA A 65 4.374 2.513 0.893 1.00 0.00 N ATOM 1003 CA ALA A 65 4.426 2.407 -0.560 1.00 0.00 C ATOM 1004 C ALA A 65 3.076 2.748 -1.183 1.00 0.00 C ATOM 1005 O ALA A 65 2.040 2.671 -0.524 1.00 0.00 O ATOM 1006 CB ALA A 65 4.862 1.009 -0.972 1.00 0.00 C ATOM 0 H ALA A 65 3.456 2.327 1.297 1.00 0.00 H new ATOM 0 HA ALA A 65 5.158 3.126 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.896 0.944 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.852 0.802 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.151 0.278 -0.587 1.00 0.00 H new ATOM 1012 N PHE A 66 3.097 3.125 -2.458 1.00 0.00 N ATOM 1013 CA PHE A 66 1.875 3.480 -3.170 1.00 0.00 C ATOM 1014 C PHE A 66 1.869 2.878 -4.572 1.00 0.00 C ATOM 1015 O PHE A 66 2.700 3.224 -5.411 1.00 0.00 O ATOM 1016 CB PHE A 66 1.732 5.001 -3.255 1.00 0.00 C ATOM 1017 CG PHE A 66 1.661 5.672 -1.913 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.818 5.995 -1.223 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.436 5.982 -1.342 1.00 0.00 C ATOM 1020 CE1 PHE A 66 2.756 6.612 0.012 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.368 6.600 -0.108 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.530 6.916 0.570 1.00 0.00 C ATOM 0 H PHE A 66 3.947 3.192 -3.019 1.00 0.00 H new ATOM 0 HA PHE A 66 1.029 3.074 -2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.577 5.407 -3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.832 5.242 -3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.780 5.762 -1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.475 5.738 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.666 6.856 0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.592 6.836 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.479 7.400 1.534 1.00 0.00 H new ATOM 1032 N ILE A 67 0.925 1.975 -4.817 1.00 0.00 N ATOM 1033 CA ILE A 67 0.810 1.325 -6.117 1.00 0.00 C ATOM 1034 C ILE A 67 -0.452 1.775 -6.846 1.00 0.00 C ATOM 1035 O ILE A 67 -1.566 1.445 -6.440 1.00 0.00 O ATOM 1036 CB ILE A 67 0.791 -0.209 -5.979 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.023 -0.690 -5.211 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.727 -0.863 -7.352 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.925 -2.127 -4.749 1.00 0.00 C ATOM 0 H ILE A 67 0.229 1.677 -4.133 1.00 0.00 H new ATOM 0 HA ILE A 67 1.686 1.619 -6.696 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.098 -0.497 -5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.902 -0.580 -5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.174 -0.048 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.714 -1.947 -7.238 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.179 -0.541 -7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.599 -0.570 -7.936 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.834 -2.399 -4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.065 -2.239 -4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.805 -2.780 -5.614 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.268 2.529 -7.925 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.391 3.022 -8.712 1.00 0.00 C ATOM 1053 C GLU A 68 -1.858 1.971 -9.714 1.00 0.00 C ATOM 1054 O GLU A 68 -1.220 1.754 -10.744 1.00 0.00 O ATOM 1055 CB GLU A 68 -1.003 4.306 -9.448 1.00 0.00 C ATOM 1056 CG GLU A 68 -2.002 4.724 -10.514 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.681 6.077 -11.117 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.738 6.154 -11.933 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.370 7.060 -10.774 1.00 0.00 O ATOM 0 H GLU A 68 0.648 2.811 -8.274 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.212 3.237 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.900 5.113 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.026 4.168 -9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.020 3.973 -11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.001 4.752 -10.079 1.00 0.00 H new ATOM 1066 N MET A 69 -2.975 1.321 -9.404 1.00 0.00 N ATOM 1067 CA MET A 69 -3.528 0.292 -10.277 1.00 0.00 C ATOM 1068 C MET A 69 -3.972 0.890 -11.609 1.00 0.00 C ATOM 1069 O MET A 69 -4.298 2.074 -11.689 1.00 0.00 O ATOM 1070 CB MET A 69 -4.709 -0.404 -9.598 1.00 0.00 C ATOM 1071 CG MET A 69 -4.370 -0.983 -8.234 1.00 0.00 C ATOM 1072 SD MET A 69 -2.751 -1.777 -8.199 1.00 0.00 S ATOM 1073 CE MET A 69 -3.092 -3.281 -9.110 1.00 0.00 C ATOM 0 H MET A 69 -3.515 1.489 -8.555 1.00 0.00 H new ATOM 0 HA MET A 69 -2.746 -0.442 -10.471 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.526 0.309 -9.488 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.069 -1.205 -10.244 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.396 -0.188 -7.489 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.133 -1.709 -7.952 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.259 -3.498 -9.779 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.222 -4.108 -8.412 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.003 -3.154 -9.695 1.00 0.00 H new ATOM 1083 N GLU A 70 -3.982 0.064 -12.650 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.385 0.513 -13.977 1.00 0.00 C ATOM 1085 C GLU A 70 -5.794 1.101 -13.948 1.00 0.00 C ATOM 1086 O GLU A 70 -6.095 2.056 -14.664 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.326 -0.647 -14.973 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.588 -0.230 -16.410 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.263 -1.320 -17.220 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -6.124 -2.029 -16.658 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -4.930 -1.465 -18.415 1.00 0.00 O ATOM 0 H GLU A 70 -3.716 -0.919 -12.600 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.691 1.291 -14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.344 -1.116 -14.913 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.058 -1.401 -14.683 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.213 0.663 -16.417 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.644 0.038 -16.884 1.00 0.00 H new ATOM 1098 N THR A 71 -6.653 0.522 -13.115 1.00 0.00 N ATOM 1099 CA THR A 71 -8.028 0.987 -12.992 1.00 0.00 C ATOM 1100 C THR A 71 -8.492 0.957 -11.540 1.00 0.00 C ATOM 1101 O THR A 71 -7.812 0.409 -10.673 1.00 0.00 O ATOM 1102 CB THR A 71 -8.987 0.131 -13.842 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.324 -1.070 -13.139 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.358 -0.218 -15.182 1.00 0.00 C ATOM 0 H THR A 71 -6.420 -0.270 -12.516 1.00 0.00 H new ATOM 0 HA THR A 71 -8.048 2.014 -13.355 1.00 0.00 H new ATOM 0 HB THR A 71 -9.892 0.711 -14.025 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.935 -1.608 -13.685 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.054 -0.822 -15.764 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.130 0.698 -15.727 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.439 -0.780 -15.017 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.653 1.550 -11.282 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.206 1.593 -9.934 1.00 0.00 C ATOM 1114 C ARG A 72 -10.669 0.207 -9.492 1.00 0.00 C ATOM 1115 O ARG A 72 -10.425 -0.207 -8.360 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.375 2.577 -9.870 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.642 3.115 -8.473 1.00 0.00 C ATOM 1118 CD ARG A 72 -11.983 4.597 -8.504 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.275 4.874 -7.882 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.441 4.626 -8.468 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -14.477 4.097 -9.683 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -15.575 4.906 -7.837 1.00 0.00 N ATOM 0 H ARG A 72 -10.229 2.007 -11.989 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.421 1.928 -9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.172 3.413 -10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.275 2.084 -10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.463 2.561 -8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.765 2.955 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.204 5.159 -7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.996 4.945 -9.537 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.282 5.280 -6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.608 3.879 -10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.374 3.908 -10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.551 5.312 -6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.470 4.715 -8.288 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.339 -0.503 -10.395 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.837 -1.840 -10.097 1.00 0.00 C ATOM 1138 C GLU A 73 -10.751 -2.694 -9.448 1.00 0.00 C ATOM 1139 O GLU A 73 -10.993 -3.369 -8.448 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.338 -2.518 -11.375 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.668 -1.978 -11.870 1.00 0.00 C ATOM 1142 CD GLU A 73 -13.528 -0.649 -12.587 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -12.670 -0.550 -13.490 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -14.276 0.291 -12.247 1.00 0.00 O ATOM 0 H GLU A 73 -11.549 -0.175 -11.338 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.666 -1.743 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.591 -2.394 -12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.435 -3.588 -11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.122 -2.704 -12.544 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.346 -1.861 -11.024 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.555 -2.657 -10.024 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.431 -3.425 -9.502 1.00 0.00 C ATOM 1153 C ASP A 74 -8.071 -2.971 -8.091 1.00 0.00 C ATOM 1154 O ASP A 74 -8.144 -3.750 -7.141 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.217 -3.283 -10.422 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.513 -3.719 -11.843 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.417 -4.560 -12.030 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.840 -3.219 -12.769 1.00 0.00 O ATOM 0 H ASP A 74 -9.339 -2.103 -10.853 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.727 -4.473 -9.463 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.887 -2.244 -10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.394 -3.878 -10.027 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.681 -1.708 -7.963 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.311 -1.151 -6.667 1.00 0.00 C ATOM 1165 C ALA A 75 -8.354 -1.486 -5.607 1.00 0.00 C ATOM 1166 O ALA A 75 -8.036 -2.078 -4.576 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.130 0.357 -6.773 1.00 0.00 C ATOM 0 H ALA A 75 -7.613 -1.051 -8.740 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.365 -1.600 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.854 0.760 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.343 0.579 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.063 0.813 -7.103 1.00 0.00 H new ATOM 1173 N MET A 76 -9.600 -1.104 -5.867 1.00 0.00 N ATOM 1174 CA MET A 76 -10.690 -1.364 -4.934 1.00 0.00 C ATOM 1175 C MET A 76 -10.715 -2.834 -4.526 1.00 0.00 C ATOM 1176 O MET A 76 -11.068 -3.168 -3.395 1.00 0.00 O ATOM 1177 CB MET A 76 -12.030 -0.973 -5.559 1.00 0.00 C ATOM 1178 CG MET A 76 -12.152 0.512 -5.855 1.00 0.00 C ATOM 1179 SD MET A 76 -13.046 1.405 -4.569 1.00 0.00 S ATOM 1180 CE MET A 76 -12.101 2.925 -4.494 1.00 0.00 C ATOM 0 H MET A 76 -9.880 -0.613 -6.716 1.00 0.00 H new ATOM 0 HA MET A 76 -10.524 -0.759 -4.042 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.167 -1.532 -6.485 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.835 -1.268 -4.886 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.155 0.940 -5.963 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.663 0.648 -6.808 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.520 2.947 -3.572 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.427 2.977 -5.349 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.780 3.777 -4.515 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.338 -3.708 -5.453 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.316 -5.141 -5.189 1.00 0.00 C ATOM 1192 C ALA A 77 -9.282 -5.487 -4.123 1.00 0.00 C ATOM 1193 O ALA A 77 -9.489 -6.390 -3.313 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.032 -5.910 -6.471 1.00 0.00 C ATOM 0 H ALA A 77 -10.043 -3.448 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.298 -5.431 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.019 -6.979 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.810 -5.695 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.064 -5.607 -6.870 1.00 0.00 H new ATOM 1200 N MET A 78 -8.168 -4.763 -4.129 1.00 0.00 N ATOM 1201 CA MET A 78 -7.102 -4.993 -3.161 1.00 0.00 C ATOM 1202 C MET A 78 -7.548 -4.599 -1.756 1.00 0.00 C ATOM 1203 O MET A 78 -7.697 -5.450 -0.879 1.00 0.00 O ATOM 1204 CB MET A 78 -5.850 -4.205 -3.551 1.00 0.00 C ATOM 1205 CG MET A 78 -4.577 -5.036 -3.529 1.00 0.00 C ATOM 1206 SD MET A 78 -4.173 -5.642 -1.880 1.00 0.00 S ATOM 1207 CE MET A 78 -2.399 -5.394 -1.854 1.00 0.00 C ATOM 0 H MET A 78 -7.980 -4.012 -4.793 1.00 0.00 H new ATOM 0 HA MET A 78 -6.868 -6.058 -3.163 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.987 -3.792 -4.550 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.735 -3.361 -2.871 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.689 -5.883 -4.206 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.749 -4.435 -3.904 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.951 -6.049 -1.107 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.985 -5.626 -2.835 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.180 -4.356 -1.604 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.759 -3.302 -1.550 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.189 -2.795 -0.252 1.00 0.00 C ATOM 1219 C VAL A 79 -9.309 -3.650 0.329 1.00 0.00 C ATOM 1220 O VAL A 79 -9.338 -3.923 1.529 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.670 -1.335 -0.350 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.578 -0.451 -0.931 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.938 -1.248 -1.186 1.00 0.00 C ATOM 0 H VAL A 79 -7.639 -2.584 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.322 -2.840 0.408 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.898 -0.977 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.936 0.577 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.698 -0.491 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.316 -0.804 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.264 -0.210 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.739 -1.623 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.721 -1.849 -0.723 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.230 -4.072 -0.532 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.354 -4.898 -0.105 1.00 0.00 C ATOM 1235 C ASP A 80 -10.877 -6.280 0.332 1.00 0.00 C ATOM 1236 O ASP A 80 -11.236 -6.760 1.408 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.375 -5.031 -1.235 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.791 -5.198 -0.720 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.070 -4.739 0.408 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.621 -5.786 -1.445 1.00 0.00 O ATOM 0 H ASP A 80 -10.220 -3.856 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.828 -4.411 0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.325 -4.148 -1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.114 -5.887 -1.857 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.068 -6.914 -0.510 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.543 -8.242 -0.211 1.00 0.00 C ATOM 1247 C HIS A 81 -8.953 -8.289 1.195 1.00 0.00 C ATOM 1248 O HIS A 81 -9.015 -9.317 1.871 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.477 -8.635 -1.236 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.692 -9.992 -1.832 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -7.847 -11.057 -1.600 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -9.662 -10.454 -2.653 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -8.289 -12.116 -2.255 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -9.389 -11.778 -2.902 1.00 0.00 N ATOM 0 H HIS A 81 -9.762 -6.530 -1.404 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.368 -8.952 -0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.462 -7.894 -2.035 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.498 -8.608 -0.758 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.496 -9.888 -3.041 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -7.828 -13.093 -2.260 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.945 -12.398 -3.491 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.382 -7.171 1.631 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.781 -7.085 2.956 1.00 0.00 C ATOM 1264 C CYS A 82 -8.854 -7.066 4.041 1.00 0.00 C ATOM 1265 O CYS A 82 -8.639 -7.555 5.150 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.908 -5.835 3.063 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.201 -5.566 4.706 1.00 0.00 S ATOM 0 H CYS A 82 -8.323 -6.311 1.085 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.158 -7.967 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.097 -5.908 2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.504 -4.964 2.789 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.793 -6.341 5.565 1.00 0.00 H new ATOM 1273 N LEU A 83 -10.009 -6.497 3.711 1.00 0.00 N ATOM 1274 CA LEU A 83 -11.116 -6.412 4.658 1.00 0.00 C ATOM 1275 C LEU A 83 -11.715 -7.789 4.921 1.00 0.00 C ATOM 1276 O LEU A 83 -11.880 -8.197 6.070 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.195 -5.467 4.126 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.763 -4.019 3.889 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.893 -3.221 3.257 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.319 -3.376 5.196 1.00 0.00 C ATOM 0 H LEU A 83 -10.203 -6.088 2.797 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.729 -6.020 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.572 -5.871 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.028 -5.466 4.829 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.918 -4.019 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.567 -2.193 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.165 -3.669 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.758 -3.227 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.015 -2.346 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.146 -3.388 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.478 -3.934 5.609 1.00 0.00 H new ATOM 1292 N LYS A 84 -12.038 -8.503 3.848 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.615 -9.838 3.961 1.00 0.00 C ATOM 1294 C LYS A 84 -11.575 -10.842 4.444 1.00 0.00 C ATOM 1295 O LYS A 84 -11.840 -11.646 5.338 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.184 -10.286 2.612 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.268 -9.368 2.074 1.00 0.00 C ATOM 1298 CD LYS A 84 -13.746 -8.487 0.950 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.356 -8.873 -0.389 1.00 0.00 C ATOM 1300 NZ LYS A 84 -13.326 -8.974 -1.459 1.00 0.00 N ATOM 0 H LYS A 84 -11.910 -8.179 2.889 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.421 -9.797 4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.373 -10.342 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.590 -11.292 2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.105 -9.965 1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.650 -8.742 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.974 -7.444 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.661 -8.571 0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.873 -9.828 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.104 -8.133 -0.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.782 -9.239 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.850 -8.056 -1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.626 -9.698 -1.200 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.387 -10.790 3.850 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.304 -11.692 4.221 1.00 0.00 C ATOM 1316 C LYS A 85 -8.048 -10.911 4.593 1.00 0.00 C ATOM 1317 O LYS A 85 -7.735 -9.892 3.979 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.997 -12.655 3.071 1.00 0.00 C ATOM 1319 CG LYS A 85 -7.897 -13.651 3.390 1.00 0.00 C ATOM 1320 CD LYS A 85 -8.426 -14.830 4.189 1.00 0.00 C ATOM 1321 CE LYS A 85 -7.692 -14.980 5.513 1.00 0.00 C ATOM 1322 NZ LYS A 85 -8.617 -15.348 6.622 1.00 0.00 N ATOM 0 H LYS A 85 -10.150 -10.131 3.108 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.625 -12.265 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.905 -13.200 2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.710 -12.078 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.450 -14.010 2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.107 -13.154 3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.491 -14.696 4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.317 -15.744 3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.920 -15.743 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.187 -14.045 5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.079 -15.441 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.339 -14.608 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.080 -16.253 6.402 1.00 0.00 H new ATOM 1336 N ALA A 86 -7.332 -11.397 5.602 1.00 0.00 N ATOM 1337 CA ALA A 86 -6.108 -10.746 6.053 1.00 0.00 C ATOM 1338 C ALA A 86 -4.981 -10.935 5.044 1.00 0.00 C ATOM 1339 O ALA A 86 -4.603 -12.063 4.724 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.695 -11.283 7.415 1.00 0.00 C ATOM 0 H ALA A 86 -7.578 -12.239 6.122 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.306 -9.678 6.141 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.780 -10.788 7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.488 -11.090 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.522 -12.357 7.345 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.448 -9.826 4.545 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.363 -9.870 3.570 1.00 0.00 C ATOM 1348 C LEU A 87 -2.010 -9.969 4.265 1.00 0.00 C ATOM 1349 O LEU A 87 -1.694 -9.170 5.147 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.402 -8.627 2.678 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.956 -8.826 1.230 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.764 -7.939 0.296 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.468 -8.541 1.084 1.00 0.00 C ATOM 0 H LEU A 87 -4.749 -8.885 4.799 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.499 -10.758 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.421 -8.240 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.772 -7.861 3.129 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.134 -9.866 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.432 -8.094 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.821 -8.192 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.619 -6.894 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.169 -8.688 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.264 -7.511 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.903 -9.219 1.724 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.214 -10.953 3.862 1.00 0.00 N ATOM 1366 CA TRP A 88 0.107 -11.155 4.445 1.00 0.00 C ATOM 1367 C TRP A 88 1.191 -11.083 3.375 1.00 0.00 C ATOM 1368 O TRP A 88 1.318 -11.983 2.544 1.00 0.00 O ATOM 1369 CB TRP A 88 0.169 -12.505 5.162 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.507 -12.499 6.499 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.807 -12.827 6.762 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.081 -12.144 7.756 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -2.062 -12.699 8.106 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.920 -12.283 8.738 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.355 -11.727 8.148 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.683 -12.016 10.083 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.589 -11.462 9.483 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.574 -11.608 10.439 1.00 0.00 C ATOM 0 H TRP A 88 -1.461 -11.623 3.134 1.00 0.00 H new ATOM 0 HA TRP A 88 0.284 -10.359 5.168 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.294 -13.264 4.532 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.213 -12.792 5.292 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.528 -13.141 6.022 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.957 -12.884 8.560 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.144 -11.614 7.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.464 -12.127 10.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.570 -11.137 9.796 1.00 0.00 H new ATOM 0 HH2 TRP A 88 0.788 -11.395 11.476 1.00 0.00 H new ATOM 1389 N PHE A 89 1.972 -10.009 3.402 1.00 0.00 N ATOM 1390 CA PHE A 89 3.046 -9.820 2.433 1.00 0.00 C ATOM 1391 C PHE A 89 4.402 -10.139 3.056 1.00 0.00 C ATOM 1392 O PHE A 89 4.861 -9.441 3.960 1.00 0.00 O ATOM 1393 CB PHE A 89 3.040 -8.383 1.906 1.00 0.00 C ATOM 1394 CG PHE A 89 4.334 -7.975 1.264 1.00 0.00 C ATOM 1395 CD1 PHE A 89 4.862 -8.708 0.213 1.00 0.00 C ATOM 1396 CD2 PHE A 89 5.023 -6.859 1.710 1.00 0.00 C ATOM 1397 CE1 PHE A 89 6.053 -8.334 -0.382 1.00 0.00 C ATOM 1398 CE2 PHE A 89 6.213 -6.480 1.119 1.00 0.00 C ATOM 1399 CZ PHE A 89 6.730 -7.220 0.073 1.00 0.00 C ATOM 0 H PHE A 89 1.882 -9.256 4.084 1.00 0.00 H new ATOM 0 HA PHE A 89 2.877 -10.505 1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.234 -8.274 1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.822 -7.703 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.337 -9.581 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.625 -6.278 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.453 -8.913 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.739 -5.606 1.474 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.662 -6.928 -0.388 1.00 0.00 H new ATOM 1409 N GLN A 90 5.038 -11.198 2.565 1.00 0.00 N ATOM 1410 CA GLN A 90 6.340 -11.610 3.073 1.00 0.00 C ATOM 1411 C GLN A 90 6.254 -11.992 4.547 1.00 0.00 C ATOM 1412 O GLN A 90 7.140 -11.668 5.337 1.00 0.00 O ATOM 1413 CB GLN A 90 7.363 -10.489 2.885 1.00 0.00 C ATOM 1414 CG GLN A 90 8.046 -10.510 1.527 1.00 0.00 C ATOM 1415 CD GLN A 90 9.558 -10.543 1.634 1.00 0.00 C ATOM 1416 OE1 GLN A 90 10.139 -9.963 2.551 1.00 0.00 O ATOM 1417 NE2 GLN A 90 10.204 -11.224 0.694 1.00 0.00 N ATOM 0 H GLN A 90 4.672 -11.786 1.816 1.00 0.00 H new ATOM 0 HA GLN A 90 6.661 -12.485 2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.865 -9.528 3.017 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.121 -10.565 3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.706 -11.381 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.745 -9.629 0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.682 -11.690 -0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.222 -11.281 0.714 1.00 0.00 H new ATOM 1426 N GLY A 91 5.178 -12.683 4.912 1.00 0.00 N ATOM 1427 CA GLY A 91 4.994 -13.098 6.291 1.00 0.00 C ATOM 1428 C GLY A 91 4.759 -11.925 7.223 1.00 0.00 C ATOM 1429 O GLY A 91 5.115 -11.978 8.399 1.00 0.00 O ATOM 0 H GLY A 91 4.430 -12.963 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.147 -13.782 6.352 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.874 -13.650 6.622 1.00 0.00 H new ATOM 1433 N ARG A 92 4.160 -10.863 6.694 1.00 0.00 N ATOM 1434 CA ARG A 92 3.880 -9.671 7.485 1.00 0.00 C ATOM 1435 C ARG A 92 2.471 -9.155 7.212 1.00 0.00 C ATOM 1436 O ARG A 92 1.960 -9.276 6.098 1.00 0.00 O ATOM 1437 CB ARG A 92 4.904 -8.577 7.178 1.00 0.00 C ATOM 1438 CG ARG A 92 6.293 -8.872 7.722 1.00 0.00 C ATOM 1439 CD ARG A 92 6.850 -7.689 8.499 1.00 0.00 C ATOM 1440 NE ARG A 92 8.288 -7.810 8.724 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.824 -8.619 9.632 1.00 0.00 C ATOM 1442 NH1 ARG A 92 8.045 -9.373 10.394 1.00 0.00 N ATOM 1443 NH2 ARG A 92 10.141 -8.673 9.778 1.00 0.00 N ATOM 0 H ARG A 92 3.859 -10.804 5.721 1.00 0.00 H new ATOM 0 HA ARG A 92 3.951 -9.940 8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.967 -8.443 6.098 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.552 -7.634 7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.253 -9.748 8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.964 -9.116 6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.645 -6.768 7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.338 -7.612 9.458 1.00 0.00 H new ATOM 0 HE ARG A 92 8.915 -7.243 8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.032 -9.333 10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.459 -9.993 11.090 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.743 -8.093 9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.552 -9.294 10.475 1.00 0.00 H new ATOM 1457 N CYS A 93 1.849 -8.581 8.235 1.00 0.00 N ATOM 1458 CA CYS A 93 0.497 -8.047 8.106 1.00 0.00 C ATOM 1459 C CYS A 93 0.527 -6.604 7.611 1.00 0.00 C ATOM 1460 O CYS A 93 0.568 -5.665 8.406 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.235 -8.123 9.447 1.00 0.00 C ATOM 1462 SG CYS A 93 -1.942 -7.531 9.392 1.00 0.00 S ATOM 0 H CYS A 93 2.258 -8.473 9.163 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.037 -8.653 7.374 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -0.231 -9.157 9.792 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.317 -7.539 10.183 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.476 -7.637 10.572 1.00 0.00 H new ATOM 1468 N VAL A 94 0.508 -6.436 6.292 1.00 0.00 N ATOM 1469 CA VAL A 94 0.533 -5.108 5.691 1.00 0.00 C ATOM 1470 C VAL A 94 -0.879 -4.576 5.475 1.00 0.00 C ATOM 1471 O VAL A 94 -1.784 -5.320 5.095 1.00 0.00 O ATOM 1472 CB VAL A 94 1.279 -5.117 4.343 1.00 0.00 C ATOM 1473 CG1 VAL A 94 0.725 -6.201 3.433 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.189 -3.752 3.677 1.00 0.00 C ATOM 0 H VAL A 94 0.475 -7.203 5.620 1.00 0.00 H new ATOM 0 HA VAL A 94 1.061 -4.455 6.386 1.00 0.00 H new ATOM 0 HB VAL A 94 2.330 -5.337 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.264 -6.192 2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.846 -7.174 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.333 -6.016 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.721 -3.775 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.143 -3.501 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.639 -3.000 4.326 1.00 0.00 H new ATOM 1484 N LYS A 95 -1.061 -3.282 5.717 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.363 -2.648 5.549 1.00 0.00 C ATOM 1486 C LYS A 95 -2.480 -2.005 4.170 1.00 0.00 C ATOM 1487 O LYS A 95 -1.665 -1.161 3.796 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.584 -1.592 6.635 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.826 -1.835 7.474 1.00 0.00 C ATOM 1490 CD LYS A 95 -5.086 -1.404 6.743 1.00 0.00 C ATOM 1491 CE LYS A 95 -6.061 -0.702 7.677 1.00 0.00 C ATOM 1492 NZ LYS A 95 -7.222 -0.130 6.940 1.00 0.00 N ATOM 0 H LYS A 95 -0.323 -2.652 6.030 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.129 -3.419 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.713 -1.568 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.658 -0.611 6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.895 -2.893 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.744 -1.288 8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.822 -0.736 5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.568 -2.276 6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.419 -1.408 8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.542 0.094 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.862 0.339 7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.883 0.563 6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.732 -0.893 6.450 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.499 -2.410 3.417 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.724 -1.871 2.081 1.00 0.00 C ATOM 1508 C VAL A 96 -4.997 -1.035 2.033 1.00 0.00 C ATOM 1509 O VAL A 96 -6.094 -1.542 2.268 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.820 -2.996 1.033 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.832 -4.045 1.466 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.184 -2.423 -0.329 1.00 0.00 C ATOM 0 H VAL A 96 -4.181 -3.109 3.710 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.869 -1.237 1.846 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.846 -3.478 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.886 -4.831 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.525 -4.476 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.812 -3.581 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.248 -3.231 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.146 -1.915 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.419 -1.712 -0.641 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.843 0.249 1.725 1.00 0.00 N ATOM 1523 CA ASP A 97 -5.981 1.157 1.645 1.00 0.00 C ATOM 1524 C ASP A 97 -5.820 2.129 0.480 1.00 0.00 C ATOM 1525 O ASP A 97 -4.710 2.570 0.175 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.137 1.932 2.954 1.00 0.00 C ATOM 1527 CG ASP A 97 -4.855 2.624 3.372 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -3.841 1.923 3.575 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -4.865 3.867 3.497 1.00 0.00 O ATOM 0 H ASP A 97 -3.942 0.684 1.527 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.878 0.561 1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -6.927 2.674 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.451 1.248 3.743 1.00 0.00 H new ATOM 1534 N LEU A 98 -6.931 2.458 -0.168 1.00 0.00 N ATOM 1535 CA LEU A 98 -6.913 3.377 -1.301 1.00 0.00 C ATOM 1536 C LEU A 98 -6.763 4.819 -0.830 1.00 0.00 C ATOM 1537 O LEU A 98 -7.560 5.308 -0.029 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.194 3.228 -2.124 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.006 2.870 -3.599 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.569 1.489 -3.890 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.664 3.915 -4.489 1.00 0.00 C ATOM 0 H LEU A 98 -7.856 2.102 0.071 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.056 3.127 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.813 2.460 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.750 4.163 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.938 2.856 -3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.426 1.252 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.052 0.749 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.633 1.473 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.520 3.644 -5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.731 3.961 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.213 4.889 -4.301 1.00 0.00 H new ATOM 1553 N SER A 99 -5.736 5.497 -1.333 1.00 0.00 N ATOM 1554 CA SER A 99 -5.480 6.884 -0.962 1.00 0.00 C ATOM 1555 C SER A 99 -6.229 7.840 -1.885 1.00 0.00 C ATOM 1556 O SER A 99 -6.086 7.781 -3.105 1.00 0.00 O ATOM 1557 CB SER A 99 -3.980 7.179 -1.013 1.00 0.00 C ATOM 1558 OG SER A 99 -3.523 7.710 0.219 1.00 0.00 O ATOM 0 H SER A 99 -5.068 5.108 -1.998 1.00 0.00 H new ATOM 0 HA SER A 99 -5.838 7.034 0.056 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.434 6.264 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.772 7.885 -1.817 1.00 0.00 H new ATOM 0 HG SER A 99 -2.561 7.889 0.162 1.00 0.00 H new ATOM 1564 N GLU A 100 -7.030 8.720 -1.290 1.00 0.00 N ATOM 1565 CA GLU A 100 -7.802 9.689 -2.059 1.00 0.00 C ATOM 1566 C GLU A 100 -6.977 10.942 -2.343 1.00 0.00 C ATOM 1567 O GLU A 100 -7.030 11.498 -3.440 1.00 0.00 O ATOM 1568 CB GLU A 100 -9.080 10.066 -1.307 1.00 0.00 C ATOM 1569 CG GLU A 100 -10.037 10.920 -2.124 1.00 0.00 C ATOM 1570 CD GLU A 100 -10.404 12.215 -1.424 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -10.235 12.292 -0.190 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -10.861 13.152 -2.114 1.00 0.00 O ATOM 0 H GLU A 100 -7.161 8.781 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.070 9.229 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.592 9.155 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.811 10.604 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.582 11.148 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.944 10.351 -2.326 1.00 0.00 H new ATOM 1579 N LYS A 101 -6.217 11.379 -1.346 1.00 0.00 N ATOM 1580 CA LYS A 101 -5.380 12.565 -1.486 1.00 0.00 C ATOM 1581 C LYS A 101 -4.618 12.540 -2.807 1.00 0.00 C ATOM 1582 O LYS A 101 -4.899 13.327 -3.711 1.00 0.00 O ATOM 1583 CB LYS A 101 -4.393 12.660 -0.318 1.00 0.00 C ATOM 1584 CG LYS A 101 -3.946 14.078 -0.014 1.00 0.00 C ATOM 1585 CD LYS A 101 -2.877 14.547 -0.989 1.00 0.00 C ATOM 1586 CE LYS A 101 -2.442 15.974 -0.695 1.00 0.00 C ATOM 1587 NZ LYS A 101 -3.129 16.956 -1.577 1.00 0.00 N ATOM 0 H LYS A 101 -6.163 10.930 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.030 13.440 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.855 12.235 0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.517 12.052 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.804 14.749 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.559 14.128 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.014 13.883 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.260 14.485 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.655 16.211 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.363 16.059 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.805 17.917 -1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.906 16.746 -2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.157 16.893 -1.432 1.00 0.00 H new ATOM 1601 N TYR A 102 -3.653 11.633 -2.912 1.00 0.00 N ATOM 1602 CA TYR A 102 -2.851 11.507 -4.122 1.00 0.00 C ATOM 1603 C TYR A 102 -3.671 10.905 -5.259 1.00 0.00 C ATOM 1604 O TYR A 102 -4.324 9.875 -5.093 1.00 0.00 O ATOM 1605 CB TYR A 102 -1.618 10.641 -3.855 1.00 0.00 C ATOM 1606 CG TYR A 102 -1.057 10.800 -2.459 1.00 0.00 C ATOM 1607 CD1 TYR A 102 -0.909 12.058 -1.889 1.00 0.00 C ATOM 1608 CD2 TYR A 102 -0.676 9.694 -1.712 1.00 0.00 C ATOM 1609 CE1 TYR A 102 -0.397 12.210 -0.615 1.00 0.00 C ATOM 1610 CE2 TYR A 102 -0.164 9.835 -0.436 1.00 0.00 C ATOM 1611 CZ TYR A 102 -0.026 11.094 0.108 1.00 0.00 C ATOM 1612 OH TYR A 102 0.484 11.239 1.378 1.00 0.00 O ATOM 0 H TYR A 102 -3.408 10.974 -2.173 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.529 12.505 -4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.877 9.595 -4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.844 10.893 -4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.199 12.933 -2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.781 8.706 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.288 13.196 -0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.126 8.963 0.132 1.00 0.00 H new ATOM 0 HH TYR A 102 0.694 10.357 1.749 1.00 0.00 H new ATOM 1622 N LYS A 103 -3.632 11.558 -6.416 1.00 0.00 N ATOM 1623 CA LYS A 103 -4.369 11.089 -7.584 1.00 0.00 C ATOM 1624 C LYS A 103 -3.513 10.150 -8.428 1.00 0.00 C ATOM 1625 O LYS A 103 -3.995 9.134 -8.930 1.00 0.00 O ATOM 1626 CB LYS A 103 -4.829 12.276 -8.433 1.00 0.00 C ATOM 1627 CG LYS A 103 -6.340 12.414 -8.516 1.00 0.00 C ATOM 1628 CD LYS A 103 -6.755 13.310 -9.671 1.00 0.00 C ATOM 1629 CE LYS A 103 -6.414 14.767 -9.399 1.00 0.00 C ATOM 1630 NZ LYS A 103 -7.601 15.653 -9.553 1.00 0.00 N ATOM 0 H LYS A 103 -3.098 12.413 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.243 10.539 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.411 13.193 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.426 12.170 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.790 11.429 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.721 12.824 -7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.256 12.983 -10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.827 13.212 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.017 14.864 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.629 15.090 -10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.327 16.637 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.965 15.580 -10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.341 15.361 -8.883 1.00 0.00 H new ATOM 1644 N LYS A 104 -2.238 10.495 -8.579 1.00 0.00 N ATOM 1645 CA LYS A 104 -1.312 9.682 -9.359 1.00 0.00 C ATOM 1646 C LYS A 104 0.125 9.900 -8.897 1.00 0.00 C ATOM 1647 O LYS A 104 0.477 10.978 -8.416 1.00 0.00 O ATOM 1648 CB LYS A 104 -1.438 10.016 -10.847 1.00 0.00 C ATOM 1649 CG LYS A 104 -0.854 11.368 -11.218 1.00 0.00 C ATOM 1650 CD LYS A 104 -1.827 12.185 -12.051 1.00 0.00 C ATOM 1651 CE LYS A 104 -1.419 13.650 -12.108 1.00 0.00 C ATOM 1652 NZ LYS A 104 -0.589 13.948 -13.308 1.00 0.00 N ATOM 0 H LYS A 104 -1.823 11.333 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.569 8.634 -9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.938 9.242 -11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.491 9.995 -11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.600 11.917 -10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 104 0.072 11.225 -11.775 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.872 11.779 -13.062 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.828 12.101 -11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.312 14.275 -12.119 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.861 13.907 -11.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.137 14.878 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.144 13.217 -13.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.193 13.957 -14.154 1.00 0.00 H new ATOM 1666 N LEU A 105 0.952 8.872 -9.049 1.00 0.00 N ATOM 1667 CA LEU A 105 2.353 8.951 -8.649 1.00 0.00 C ATOM 1668 C LEU A 105 3.187 9.649 -9.719 1.00 0.00 C ATOM 1669 O LEU A 105 3.735 9.004 -10.612 1.00 0.00 O ATOM 1670 CB LEU A 105 2.910 7.551 -8.385 1.00 0.00 C ATOM 1671 CG LEU A 105 2.086 6.667 -7.448 1.00 0.00 C ATOM 1672 CD1 LEU A 105 2.753 5.312 -7.270 1.00 0.00 C ATOM 1673 CD2 LEU A 105 1.895 7.351 -6.102 1.00 0.00 C ATOM 0 H LEU A 105 0.677 7.974 -9.446 1.00 0.00 H new ATOM 0 HA LEU A 105 2.409 9.536 -7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.013 7.037 -9.340 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.912 7.653 -7.968 1.00 0.00 H new ATOM 0 HG LEU A 105 1.105 6.510 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.153 4.696 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.838 4.818 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.747 5.449 -6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.306 6.708 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.868 7.538 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.374 8.297 -6.246 1.00 0.00 H new ATOM 1685 N VAL A 106 3.278 10.972 -9.623 1.00 0.00 N ATOM 1686 CA VAL A 106 4.047 11.758 -10.580 1.00 0.00 C ATOM 1687 C VAL A 106 5.474 11.974 -10.093 1.00 0.00 C ATOM 1688 O VAL A 106 6.387 12.196 -10.890 1.00 0.00 O ATOM 1689 CB VAL A 106 3.390 13.126 -10.839 1.00 0.00 C ATOM 1690 CG1 VAL A 106 2.025 12.951 -11.485 1.00 0.00 C ATOM 1691 CG2 VAL A 106 3.278 13.916 -9.543 1.00 0.00 C ATOM 0 H VAL A 106 2.828 11.522 -8.891 1.00 0.00 H new ATOM 0 HA VAL A 106 4.067 11.192 -11.511 1.00 0.00 H new ATOM 0 HB VAL A 106 4.021 13.687 -11.528 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.577 13.929 -11.660 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.136 12.428 -12.435 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.381 12.370 -10.824 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.811 14.880 -9.744 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.670 13.360 -8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.273 14.074 -9.126 1.00 0.00 H new ATOM 1701 N SER A 107 5.662 11.910 -8.779 1.00 0.00 N ATOM 1702 CA SER A 107 6.979 12.102 -8.184 1.00 0.00 C ATOM 1703 C SER A 107 7.000 11.607 -6.740 1.00 0.00 C ATOM 1704 O SER A 107 7.836 10.784 -6.368 1.00 0.00 O ATOM 1705 CB SER A 107 7.373 13.580 -8.233 1.00 0.00 C ATOM 1706 OG SER A 107 6.392 14.390 -7.610 1.00 0.00 O ATOM 0 H SER A 107 4.918 11.726 -8.106 1.00 0.00 H new ATOM 0 HA SER A 107 7.699 11.521 -8.760 1.00 0.00 H new ATOM 0 HB2 SER A 107 8.333 13.720 -7.737 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.501 13.891 -9.270 1.00 0.00 H new ATOM 0 HG SER A 107 6.668 15.329 -7.653 1.00 0.00 H new ATOM 1712 N GLY A 108 6.075 12.116 -5.932 1.00 0.00 N ATOM 1713 CA GLY A 108 6.005 11.715 -4.540 1.00 0.00 C ATOM 1714 C GLY A 108 6.258 12.869 -3.590 1.00 0.00 C ATOM 1715 O GLY A 108 7.062 13.761 -3.864 1.00 0.00 O ATOM 0 H GLY A 108 5.373 12.799 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.022 11.290 -4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.737 10.929 -4.354 1.00 0.00 H new ATOM 1719 N PRO A 109 5.561 12.863 -2.446 1.00 0.00 N ATOM 1720 CA PRO A 109 5.697 13.911 -1.430 1.00 0.00 C ATOM 1721 C PRO A 109 7.046 13.862 -0.722 1.00 0.00 C ATOM 1722 O PRO A 109 7.467 12.810 -0.240 1.00 0.00 O ATOM 1723 CB PRO A 109 4.566 13.600 -0.446 1.00 0.00 C ATOM 1724 CG PRO A 109 4.314 12.141 -0.607 1.00 0.00 C ATOM 1725 CD PRO A 109 4.586 11.831 -2.053 1.00 0.00 C ATOM 0 HA PRO A 109 5.641 14.909 -1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.854 13.841 0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.673 14.183 -0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.964 11.558 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.287 11.891 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.991 10.827 -2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.678 11.887 -2.654 1.00 0.00 H new ATOM 1733 N SER A 110 7.721 15.006 -0.662 1.00 0.00 N ATOM 1734 CA SER A 110 9.025 15.091 -0.016 1.00 0.00 C ATOM 1735 C SER A 110 9.023 14.342 1.313 1.00 0.00 C ATOM 1736 O SER A 110 9.946 13.587 1.614 1.00 0.00 O ATOM 1737 CB SER A 110 9.410 16.555 0.210 1.00 0.00 C ATOM 1738 OG SER A 110 10.808 16.742 0.068 1.00 0.00 O ATOM 0 H SER A 110 7.386 15.886 -1.053 1.00 0.00 H new ATOM 0 HA SER A 110 9.760 14.626 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.881 17.188 -0.503 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.097 16.867 1.207 1.00 0.00 H new ATOM 0 HG SER A 110 11.028 17.685 0.215 1.00 0.00 H new ATOM 1744 N SER A 111 7.978 14.559 2.105 1.00 0.00 N ATOM 1745 CA SER A 111 7.856 13.908 3.405 1.00 0.00 C ATOM 1746 C SER A 111 9.030 14.275 4.307 1.00 0.00 C ATOM 1747 O SER A 111 10.069 14.735 3.837 1.00 0.00 O ATOM 1748 CB SER A 111 7.784 12.390 3.233 1.00 0.00 C ATOM 1749 OG SER A 111 6.537 11.885 3.681 1.00 0.00 O ATOM 0 H SER A 111 7.204 15.180 1.870 1.00 0.00 H new ATOM 0 HA SER A 111 6.936 14.257 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.929 12.132 2.184 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.593 11.919 3.791 1.00 0.00 H new ATOM 0 HG SER A 111 6.515 10.913 3.559 1.00 0.00 H new ATOM 1755 N GLY A 112 8.855 14.066 5.609 1.00 0.00 N ATOM 1756 CA GLY A 112 9.907 14.378 6.559 1.00 0.00 C ATOM 1757 C GLY A 112 9.372 15.001 7.833 1.00 0.00 C ATOM 1758 O GLY A 112 9.946 15.957 8.353 1.00 0.00 O ATOM 0 H GLY A 112 8.003 13.686 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.452 13.467 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.620 15.061 6.096 1.00 0.00 H new TER 1762 GLY A 112