USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 993 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 94 CYS SG : rot -22:sc= 0.827 USER MOD Set 1.2: A 95 THR OG1 : rot 103:sc= 1.23 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 92 ASN : amide:sc= -4.01 K(o=-4,f=-5.9!) USER MOD Set 3.1: A 24 TYR OH : rot -133:sc= -0.337 USER MOD Set 3.2: A 28 LYS NZ :NH3+ -152:sc= -1.82 (180deg=-3.74!) USER MOD Set 3.3: A 64 MET CE :methyl -166:sc= -0.339 (180deg=-0.389) USER MOD Set 4.1: A 62 MET CE :methyl 167:sc= -5.66! (180deg=-1.02) USER MOD Set 4.2: A 88 MET CE :methyl -109:sc= -5.8! (180deg=-0.00464) USER MOD Set 5.1: A 47 SER OG : rot 180:sc= 0.0484 USER MOD Set 5.2: A 49 SER OG : rot -52:sc= -0.0694 USER MOD Set 6.1: A 21 ASN : amide:sc=-0.00683 K(o=-0.089,f=-3.8!) USER MOD Set 6.2: A 72 MET CE :methyl -152:sc= -0.0817 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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+ -165:sc= -1.16 (180deg=-1.66) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 17:sc= -1.47 USER MOD Single : A 16 MET CE :methyl 151:sc= -0.168 (180deg=-0.825) USER MOD Single : A 17 GLN : amide:sc= -0.702 K(o=-0.7,f=-1.5!) USER MOD Single : A 18 GLN : amide:sc= -0.688 X(o=-0.69,f=-0.68) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0281 X(o=-0.028,f=-0.25) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0131) USER MOD Single : A 39 SER OG : rot 160:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -117:sc= 0.953 (180deg=-0.0433) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -2.32 X(o=-2.3,f=-1.9) USER MOD Single : A 71 MET CE :methyl -135:sc= -4.14! (180deg=-6.06!) USER MOD Single : A 74 ASN : amide:sc= -2.49 K(o=-2.5,f=-3.4!) USER MOD Single : A 75 LYS NZ :NH3+ -109:sc=-0.00683 (180deg=-1.78) USER MOD Single : A 76 TYR OH : rot -104:sc= 0.626 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 81 SER OG : rot -100:sc= 0.988 USER MOD Single : A 82 MET CE :methyl -110:sc= -1.9 (180deg=-4.13!) USER MOD Single : A 89 MET CE :methyl -166:sc= 0 (180deg=-0.252) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.8 F(o=-1.4,f=-0.8) USER MOD Single : A 96 TYR OH : rot 4:sc=-0.00592 USER MOD Single : A 97 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.77) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -7:sc= -0.554 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.461 14.916 -10.807 1.00 0.00 N ATOM 2 CA GLY A 1 -7.592 15.673 -11.688 1.00 0.00 C ATOM 3 C GLY A 1 -7.973 17.138 -11.760 1.00 0.00 C ATOM 4 O GLY A 1 -8.301 17.649 -12.831 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.159 13.921 -10.792 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.407 15.308 -9.845 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.441 14.975 -11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.562 15.585 -11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.629 15.242 -12.688 1.00 0.00 H new ATOM 8 N SER A 2 -7.931 17.816 -10.617 1.00 0.00 N ATOM 9 CA SER A 2 -8.280 19.230 -10.554 1.00 0.00 C ATOM 10 C SER A 2 -7.077 20.103 -10.902 1.00 0.00 C ATOM 11 O SER A 2 -5.930 19.715 -10.680 1.00 0.00 O ATOM 12 CB SER A 2 -8.796 19.588 -9.159 1.00 0.00 C ATOM 13 OG SER A 2 -7.865 19.213 -8.159 1.00 0.00 O ATOM 0 H SER A 2 -7.659 17.409 -9.722 1.00 0.00 H new ATOM 0 HA SER A 2 -9.067 19.417 -11.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.984 20.660 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.748 19.087 -8.980 1.00 0.00 H new ATOM 0 HG SER A 2 -8.218 19.454 -7.277 1.00 0.00 H new ATOM 19 N SER A 3 -7.350 21.283 -11.450 1.00 0.00 N ATOM 20 CA SER A 3 -6.291 22.209 -11.834 1.00 0.00 C ATOM 21 C SER A 3 -6.643 23.636 -11.422 1.00 0.00 C ATOM 22 O SER A 3 -7.723 24.135 -11.732 1.00 0.00 O ATOM 23 CB SER A 3 -6.052 22.147 -13.344 1.00 0.00 C ATOM 24 OG SER A 3 -5.314 20.990 -13.696 1.00 0.00 O ATOM 0 H SER A 3 -8.294 21.620 -11.638 1.00 0.00 H new ATOM 0 HA SER A 3 -5.378 21.913 -11.317 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.008 22.145 -13.867 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.514 23.038 -13.667 1.00 0.00 H new ATOM 0 HG SER A 3 -5.176 20.973 -14.666 1.00 0.00 H new ATOM 30 N GLY A 4 -5.720 24.287 -10.719 1.00 0.00 N ATOM 31 CA GLY A 4 -5.950 25.649 -10.275 1.00 0.00 C ATOM 32 C GLY A 4 -6.092 25.752 -8.770 1.00 0.00 C ATOM 33 O GLY A 4 -5.227 26.309 -8.095 1.00 0.00 O ATOM 0 H GLY A 4 -4.818 23.895 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.123 26.279 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.852 26.035 -10.749 1.00 0.00 H new ATOM 37 N SER A 5 -7.187 25.214 -8.242 1.00 0.00 N ATOM 38 CA SER A 5 -7.442 25.253 -6.806 1.00 0.00 C ATOM 39 C SER A 5 -6.300 24.601 -6.034 1.00 0.00 C ATOM 40 O SER A 5 -5.843 25.125 -5.018 1.00 0.00 O ATOM 41 CB SER A 5 -8.760 24.548 -6.482 1.00 0.00 C ATOM 42 OG SER A 5 -8.762 23.219 -6.974 1.00 0.00 O ATOM 0 H SER A 5 -7.912 24.746 -8.787 1.00 0.00 H new ATOM 0 HA SER A 5 -7.513 26.297 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.916 24.540 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.590 25.103 -6.920 1.00 0.00 H new ATOM 0 HG SER A 5 -9.615 22.789 -6.753 1.00 0.00 H new ATOM 48 N SER A 6 -5.842 23.453 -6.524 1.00 0.00 N ATOM 49 CA SER A 6 -4.756 22.725 -5.878 1.00 0.00 C ATOM 50 C SER A 6 -3.409 23.373 -6.188 1.00 0.00 C ATOM 51 O SER A 6 -3.264 24.087 -7.179 1.00 0.00 O ATOM 52 CB SER A 6 -4.749 21.265 -6.335 1.00 0.00 C ATOM 53 OG SER A 6 -4.285 21.151 -7.669 1.00 0.00 O ATOM 0 H SER A 6 -6.206 23.007 -7.366 1.00 0.00 H new ATOM 0 HA SER A 6 -4.918 22.760 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.113 20.677 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.755 20.852 -6.260 1.00 0.00 H new ATOM 0 HG SER A 6 -4.288 20.208 -7.937 1.00 0.00 H new ATOM 59 N GLY A 7 -2.426 23.117 -5.330 1.00 0.00 N ATOM 60 CA GLY A 7 -1.104 23.683 -5.528 1.00 0.00 C ATOM 61 C GLY A 7 -0.311 23.768 -4.238 1.00 0.00 C ATOM 62 O GLY A 7 0.893 23.512 -4.223 1.00 0.00 O ATOM 0 H GLY A 7 -2.521 22.529 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.556 23.076 -6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.200 24.680 -5.959 1.00 0.00 H new ATOM 66 N LYS A 8 -0.987 24.130 -3.153 1.00 0.00 N ATOM 67 CA LYS A 8 -0.339 24.249 -1.852 1.00 0.00 C ATOM 68 C LYS A 8 0.504 23.014 -1.549 1.00 0.00 C ATOM 69 O LYS A 8 0.148 21.898 -1.928 1.00 0.00 O ATOM 70 CB LYS A 8 -1.386 24.447 -0.754 1.00 0.00 C ATOM 71 CG LYS A 8 -1.876 25.880 -0.633 1.00 0.00 C ATOM 72 CD LYS A 8 -3.199 25.955 0.111 1.00 0.00 C ATOM 73 CE LYS A 8 -4.375 25.682 -0.815 1.00 0.00 C ATOM 74 NZ LYS A 8 -5.598 25.294 -0.059 1.00 0.00 N ATOM 0 H LYS A 8 -1.984 24.346 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 8 0.318 25.118 -1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.237 23.796 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.963 24.135 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.129 26.478 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.992 26.311 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.201 25.232 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.310 26.942 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.583 26.571 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.111 24.887 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.376 25.117 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.408 24.431 0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.865 26.063 0.588 1.00 0.00 H new ATOM 88 N LYS A 9 1.622 23.221 -0.861 1.00 0.00 N ATOM 89 CA LYS A 9 2.514 22.125 -0.504 1.00 0.00 C ATOM 90 C LYS A 9 2.333 21.730 0.958 1.00 0.00 C ATOM 91 O LYS A 9 1.622 22.400 1.708 1.00 0.00 O ATOM 92 CB LYS A 9 3.970 22.521 -0.759 1.00 0.00 C ATOM 93 CG LYS A 9 4.465 23.636 0.146 1.00 0.00 C ATOM 94 CD LYS A 9 5.608 24.407 -0.492 1.00 0.00 C ATOM 95 CE LYS A 9 5.096 25.554 -1.351 1.00 0.00 C ATOM 96 NZ LYS A 9 4.354 25.064 -2.545 1.00 0.00 N ATOM 0 H LYS A 9 1.932 24.138 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 9 2.262 21.267 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.605 21.645 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.076 22.834 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.644 24.318 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.794 23.215 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.263 24.798 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.207 23.732 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.444 26.191 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.936 26.170 -1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.243 25.841 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.884 24.287 -2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.416 24.722 -2.254 1.00 0.00 H new ATOM 110 N SER A 10 2.982 20.641 1.358 1.00 0.00 N ATOM 111 CA SER A 10 2.890 20.156 2.730 1.00 0.00 C ATOM 112 C SER A 10 1.501 20.416 3.306 1.00 0.00 C ATOM 113 O SER A 10 1.361 20.867 4.443 1.00 0.00 O ATOM 114 CB SER A 10 3.950 20.830 3.603 1.00 0.00 C ATOM 115 OG SER A 10 3.711 22.222 3.713 1.00 0.00 O ATOM 0 H SER A 10 3.577 20.078 0.751 1.00 0.00 H new ATOM 0 HA SER A 10 3.066 19.080 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.949 20.378 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.939 20.660 3.176 1.00 0.00 H new ATOM 0 HG SER A 10 4.401 22.629 4.277 1.00 0.00 H new ATOM 121 N LYS A 11 0.475 20.128 2.512 1.00 0.00 N ATOM 122 CA LYS A 11 -0.904 20.328 2.941 1.00 0.00 C ATOM 123 C LYS A 11 -1.066 20.002 4.422 1.00 0.00 C ATOM 124 O LYS A 11 -0.300 19.218 4.982 1.00 0.00 O ATOM 125 CB LYS A 11 -1.850 19.457 2.109 1.00 0.00 C ATOM 126 CG LYS A 11 -1.841 19.794 0.628 1.00 0.00 C ATOM 127 CD LYS A 11 -2.533 18.717 -0.192 1.00 0.00 C ATOM 128 CE LYS A 11 -3.141 19.290 -1.463 1.00 0.00 C ATOM 129 NZ LYS A 11 -2.181 19.253 -2.602 1.00 0.00 N ATOM 0 H LYS A 11 0.573 19.755 1.568 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.157 21.377 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.574 18.410 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.864 19.568 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.339 20.751 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.812 19.909 0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.816 17.937 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.314 18.247 0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.036 18.726 -1.724 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.454 20.319 -1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.633 19.652 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.337 19.812 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.902 18.269 -2.789 1.00 0.00 H new ATOM 143 N TYR A 12 -2.069 20.606 5.050 1.00 0.00 N ATOM 144 CA TYR A 12 -2.331 20.381 6.466 1.00 0.00 C ATOM 145 C TYR A 12 -3.774 19.938 6.689 1.00 0.00 C ATOM 146 O TYR A 12 -4.028 18.885 7.273 1.00 0.00 O ATOM 147 CB TYR A 12 -2.045 21.652 7.268 1.00 0.00 C ATOM 148 CG TYR A 12 -2.853 22.847 6.815 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.673 23.393 5.550 1.00 0.00 C ATOM 150 CD2 TYR A 12 -3.796 23.431 7.653 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.409 24.486 5.133 1.00 0.00 C ATOM 152 CE2 TYR A 12 -4.536 24.523 7.243 1.00 0.00 C ATOM 153 CZ TYR A 12 -4.339 25.047 5.983 1.00 0.00 C ATOM 154 OH TYR A 12 -5.074 26.135 5.571 1.00 0.00 O ATOM 0 H TYR A 12 -2.714 21.255 4.600 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.669 19.586 6.810 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.252 21.462 8.321 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.984 21.890 7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.946 22.956 4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.953 23.024 8.641 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.257 24.899 4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.265 24.964 7.906 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.685 26.407 6.287 1.00 0.00 H new ATOM 164 N MET A 13 -4.714 20.751 6.220 1.00 0.00 N ATOM 165 CA MET A 13 -6.132 20.444 6.367 1.00 0.00 C ATOM 166 C MET A 13 -6.811 20.347 5.004 1.00 0.00 C ATOM 167 O MET A 13 -7.628 21.195 4.644 1.00 0.00 O ATOM 168 CB MET A 13 -6.822 21.510 7.219 1.00 0.00 C ATOM 169 CG MET A 13 -8.315 21.280 7.391 1.00 0.00 C ATOM 170 SD MET A 13 -8.702 20.298 8.853 1.00 0.00 S ATOM 171 CE MET A 13 -9.959 19.201 8.201 1.00 0.00 C ATOM 0 H MET A 13 -4.520 21.627 5.735 1.00 0.00 H new ATOM 0 HA MET A 13 -6.219 19.479 6.866 1.00 0.00 H new ATOM 0 HB2 MET A 13 -6.352 21.538 8.202 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.664 22.487 6.762 1.00 0.00 H new ATOM 0 HG2 MET A 13 -8.821 22.243 7.460 1.00 0.00 H new ATOM 0 HG3 MET A 13 -8.706 20.777 6.506 1.00 0.00 H new ATOM 0 HE1 MET A 13 -10.300 18.529 8.989 1.00 0.00 H new ATOM 0 HE2 MET A 13 -10.801 19.789 7.836 1.00 0.00 H new ATOM 0 HE3 MET A 13 -9.542 18.616 7.381 1.00 0.00 H new ATOM 181 N THR A 14 -6.468 19.308 4.249 1.00 0.00 N ATOM 182 CA THR A 14 -7.043 19.102 2.926 1.00 0.00 C ATOM 183 C THR A 14 -7.719 17.740 2.826 1.00 0.00 C ATOM 184 O THR A 14 -7.373 16.795 3.535 1.00 0.00 O ATOM 185 CB THR A 14 -5.972 19.212 1.824 1.00 0.00 C ATOM 186 OG1 THR A 14 -4.850 18.384 2.148 1.00 0.00 O ATOM 187 CG2 THR A 14 -5.513 20.653 1.657 1.00 0.00 C ATOM 0 H THR A 14 -5.795 18.596 4.532 1.00 0.00 H new ATOM 0 HA THR A 14 -7.786 19.886 2.780 1.00 0.00 H new ATOM 0 HB THR A 14 -6.412 18.876 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.109 17.737 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.757 20.706 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.364 21.276 1.382 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.089 21.011 2.595 1.00 0.00 H new ATOM 195 N PRO A 15 -8.708 17.633 1.926 1.00 0.00 N ATOM 196 CA PRO A 15 -9.453 16.389 1.712 1.00 0.00 C ATOM 197 C PRO A 15 -8.602 15.310 1.051 1.00 0.00 C ATOM 198 O PRO A 15 -9.071 14.198 0.810 1.00 0.00 O ATOM 199 CB PRO A 15 -10.594 16.814 0.784 1.00 0.00 C ATOM 200 CG PRO A 15 -10.074 18.015 0.071 1.00 0.00 C ATOM 201 CD PRO A 15 -9.174 18.719 1.047 1.00 0.00 C ATOM 0 HA PRO A 15 -9.790 15.949 2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.852 16.019 0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.497 17.048 1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.527 17.729 -0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.890 18.664 -0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.343 19.213 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.709 19.487 1.606 1.00 0.00 H new ATOM 209 N MET A 16 -7.349 15.646 0.760 1.00 0.00 N ATOM 210 CA MET A 16 -6.433 14.704 0.128 1.00 0.00 C ATOM 211 C MET A 16 -5.538 14.036 1.167 1.00 0.00 C ATOM 212 O MET A 16 -5.233 12.848 1.064 1.00 0.00 O ATOM 213 CB MET A 16 -5.574 15.419 -0.917 1.00 0.00 C ATOM 214 CG MET A 16 -6.190 15.426 -2.307 1.00 0.00 C ATOM 215 SD MET A 16 -4.950 15.455 -3.616 1.00 0.00 S ATOM 216 CE MET A 16 -4.173 13.859 -3.382 1.00 0.00 C ATOM 0 H MET A 16 -6.945 16.563 0.952 1.00 0.00 H new ATOM 0 HA MET A 16 -7.026 13.933 -0.364 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.408 16.448 -0.597 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.597 14.938 -0.964 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.818 14.543 -2.426 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.840 16.295 -2.408 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.788 13.498 -4.336 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.351 13.955 -2.672 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.906 13.151 -2.995 1.00 0.00 H new ATOM 226 N GLN A 17 -5.122 14.807 2.167 1.00 0.00 N ATOM 227 CA GLN A 17 -4.262 14.288 3.224 1.00 0.00 C ATOM 228 C GLN A 17 -4.995 13.245 4.061 1.00 0.00 C ATOM 229 O GLN A 17 -4.396 12.276 4.525 1.00 0.00 O ATOM 230 CB GLN A 17 -3.775 15.428 4.120 1.00 0.00 C ATOM 231 CG GLN A 17 -2.700 16.290 3.479 1.00 0.00 C ATOM 232 CD GLN A 17 -1.539 15.474 2.945 1.00 0.00 C ATOM 233 OE1 GLN A 17 -1.620 14.892 1.863 1.00 0.00 O ATOM 234 NE2 GLN A 17 -0.450 15.427 3.703 1.00 0.00 N ATOM 0 H GLN A 17 -5.366 15.792 2.267 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.402 13.811 2.755 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.624 16.058 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.387 15.009 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.139 16.866 2.665 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.329 17.006 4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.426 15.925 4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.363 14.893 3.395 1.00 0.00 H new ATOM 243 N GLN A 18 -6.295 13.452 4.249 1.00 0.00 N ATOM 244 CA GLN A 18 -7.109 12.529 5.031 1.00 0.00 C ATOM 245 C GLN A 18 -7.408 11.261 4.238 1.00 0.00 C ATOM 246 O GLN A 18 -7.363 10.155 4.776 1.00 0.00 O ATOM 247 CB GLN A 18 -8.417 13.202 5.452 1.00 0.00 C ATOM 248 CG GLN A 18 -9.270 13.660 4.281 1.00 0.00 C ATOM 249 CD GLN A 18 -10.453 14.504 4.715 1.00 0.00 C ATOM 250 OE1 GLN A 18 -11.607 14.124 4.518 1.00 0.00 O ATOM 251 NE2 GLN A 18 -10.171 15.657 5.310 1.00 0.00 N ATOM 0 H GLN A 18 -6.806 14.250 3.871 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.546 12.253 5.923 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.994 12.506 6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.187 14.062 6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.653 14.234 3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.631 12.788 3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.199 15.933 5.453 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.926 16.267 5.624 1.00 0.00 H new ATOM 260 N LYS A 19 -7.714 11.429 2.956 1.00 0.00 N ATOM 261 CA LYS A 19 -8.020 10.299 2.087 1.00 0.00 C ATOM 262 C LYS A 19 -6.956 9.213 2.212 1.00 0.00 C ATOM 263 O LYS A 19 -7.255 8.074 2.572 1.00 0.00 O ATOM 264 CB LYS A 19 -8.124 10.760 0.632 1.00 0.00 C ATOM 265 CG LYS A 19 -8.691 9.705 -0.302 1.00 0.00 C ATOM 266 CD LYS A 19 -9.443 10.334 -1.463 1.00 0.00 C ATOM 267 CE LYS A 19 -10.464 9.372 -2.051 1.00 0.00 C ATOM 268 NZ LYS A 19 -11.308 10.026 -3.089 1.00 0.00 N ATOM 0 H LYS A 19 -7.757 12.338 2.495 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.978 9.883 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.752 11.649 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.134 11.050 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.881 9.084 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.361 9.048 0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.947 11.239 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.736 10.634 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.948 8.517 -2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.101 8.987 -1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.991 9.338 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.820 10.826 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.703 10.371 -3.861 1.00 0.00 H new ATOM 282 N LEU A 20 -5.712 9.573 1.914 1.00 0.00 N ATOM 283 CA LEU A 20 -4.602 8.630 1.994 1.00 0.00 C ATOM 284 C LEU A 20 -4.787 7.671 3.166 1.00 0.00 C ATOM 285 O LEU A 20 -4.595 6.463 3.029 1.00 0.00 O ATOM 286 CB LEU A 20 -3.278 9.381 2.139 1.00 0.00 C ATOM 287 CG LEU A 20 -2.856 10.235 0.943 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.863 11.303 1.372 1.00 0.00 C ATOM 289 CD2 LEU A 20 -2.262 9.361 -0.153 1.00 0.00 C ATOM 0 H LEU A 20 -5.447 10.511 1.615 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.583 8.049 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.343 10.026 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.491 8.654 2.336 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.741 10.731 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.575 11.900 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.323 11.948 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.978 10.828 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.967 9.985 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.388 8.837 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.005 8.634 -0.482 1.00 0.00 H new ATOM 301 N ASN A 21 -5.161 8.217 4.318 1.00 0.00 N ATOM 302 CA ASN A 21 -5.373 7.410 5.514 1.00 0.00 C ATOM 303 C ASN A 21 -6.697 6.655 5.433 1.00 0.00 C ATOM 304 O ASN A 21 -6.799 5.513 5.879 1.00 0.00 O ATOM 305 CB ASN A 21 -5.353 8.295 6.762 1.00 0.00 C ATOM 306 CG ASN A 21 -4.944 7.530 8.006 1.00 0.00 C ATOM 307 OD1 ASN A 21 -3.798 7.613 8.450 1.00 0.00 O ATOM 308 ND2 ASN A 21 -5.881 6.781 8.575 1.00 0.00 N ATOM 0 H ASN A 21 -5.324 9.215 4.449 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.564 6.683 5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.663 9.124 6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.342 8.728 6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.665 6.244 9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.817 6.742 8.172 1.00 0.00 H new ATOM 315 N GLU A 22 -7.707 7.302 4.861 1.00 0.00 N ATOM 316 CA GLU A 22 -9.024 6.692 4.722 1.00 0.00 C ATOM 317 C GLU A 22 -8.950 5.427 3.872 1.00 0.00 C ATOM 318 O GLU A 22 -9.571 4.413 4.192 1.00 0.00 O ATOM 319 CB GLU A 22 -10.007 7.683 4.096 1.00 0.00 C ATOM 320 CG GLU A 22 -10.372 8.839 5.013 1.00 0.00 C ATOM 321 CD GLU A 22 -11.646 9.542 4.586 1.00 0.00 C ATOM 322 OE1 GLU A 22 -11.775 9.858 3.384 1.00 0.00 O ATOM 323 OE2 GLU A 22 -12.515 9.776 5.452 1.00 0.00 O ATOM 0 H GLU A 22 -7.639 8.248 4.486 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.377 6.421 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.574 8.081 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.916 7.152 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.490 8.467 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.553 9.558 5.029 1.00 0.00 H new ATOM 330 N VAL A 23 -8.187 5.494 2.786 1.00 0.00 N ATOM 331 CA VAL A 23 -8.031 4.356 1.889 1.00 0.00 C ATOM 332 C VAL A 23 -7.395 3.172 2.609 1.00 0.00 C ATOM 333 O VAL A 23 -7.920 2.059 2.580 1.00 0.00 O ATOM 334 CB VAL A 23 -7.170 4.719 0.664 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.820 3.472 -0.132 1.00 0.00 C ATOM 336 CG2 VAL A 23 -7.890 5.735 -0.210 1.00 0.00 C ATOM 0 H VAL A 23 -7.667 6.325 2.506 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.030 4.080 1.552 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.241 5.169 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.212 3.749 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.261 2.782 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.736 2.990 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.268 5.980 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.835 5.315 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.084 6.639 0.367 1.00 0.00 H new ATOM 346 N TYR A 24 -6.262 3.420 3.257 1.00 0.00 N ATOM 347 CA TYR A 24 -5.552 2.374 3.984 1.00 0.00 C ATOM 348 C TYR A 24 -6.495 1.629 4.924 1.00 0.00 C ATOM 349 O TYR A 24 -6.728 0.431 4.765 1.00 0.00 O ATOM 350 CB TYR A 24 -4.391 2.974 4.778 1.00 0.00 C ATOM 351 CG TYR A 24 -3.613 1.953 5.577 1.00 0.00 C ATOM 352 CD1 TYR A 24 -4.114 1.447 6.770 1.00 0.00 C ATOM 353 CD2 TYR A 24 -2.377 1.494 5.139 1.00 0.00 C ATOM 354 CE1 TYR A 24 -3.406 0.515 7.504 1.00 0.00 C ATOM 355 CE2 TYR A 24 -1.663 0.561 5.865 1.00 0.00 C ATOM 356 CZ TYR A 24 -2.181 0.075 7.047 1.00 0.00 C ATOM 357 OH TYR A 24 -1.473 -0.855 7.774 1.00 0.00 O ATOM 0 H TYR A 24 -5.816 4.336 3.294 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.157 1.664 3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.713 3.478 4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.780 3.734 5.456 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.073 1.788 7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.967 1.873 4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.809 0.133 8.430 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.704 0.214 5.509 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.540 -0.566 7.854 1.00 0.00 H new ATOM 367 N GLU A 25 -7.035 2.348 5.902 1.00 0.00 N ATOM 368 CA GLU A 25 -7.953 1.756 6.869 1.00 0.00 C ATOM 369 C GLU A 25 -8.993 0.886 6.168 1.00 0.00 C ATOM 370 O GLU A 25 -9.388 -0.161 6.680 1.00 0.00 O ATOM 371 CB GLU A 25 -8.650 2.849 7.681 1.00 0.00 C ATOM 372 CG GLU A 25 -7.775 3.451 8.767 1.00 0.00 C ATOM 373 CD GLU A 25 -8.579 3.965 9.946 1.00 0.00 C ATOM 374 OE1 GLU A 25 -9.402 4.883 9.747 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.385 3.450 11.067 1.00 0.00 O ATOM 0 H GLU A 25 -6.853 3.341 6.046 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.373 1.127 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.973 3.641 7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.548 2.434 8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.066 2.700 9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.191 4.269 8.346 1.00 0.00 H new ATOM 382 N ALA A 26 -9.432 1.328 4.995 1.00 0.00 N ATOM 383 CA ALA A 26 -10.425 0.591 4.223 1.00 0.00 C ATOM 384 C ALA A 26 -9.969 -0.842 3.969 1.00 0.00 C ATOM 385 O ALA A 26 -10.727 -1.790 4.173 1.00 0.00 O ATOM 386 CB ALA A 26 -10.703 1.300 2.906 1.00 0.00 C ATOM 0 H ALA A 26 -9.116 2.194 4.558 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.347 0.554 4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.446 0.738 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.081 2.303 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.782 1.367 2.328 1.00 0.00 H new ATOM 392 N VAL A 27 -8.726 -0.992 3.522 1.00 0.00 N ATOM 393 CA VAL A 27 -8.169 -2.310 3.240 1.00 0.00 C ATOM 394 C VAL A 27 -7.980 -3.112 4.523 1.00 0.00 C ATOM 395 O VAL A 27 -8.311 -4.296 4.582 1.00 0.00 O ATOM 396 CB VAL A 27 -6.817 -2.203 2.510 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.169 -3.573 2.384 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.000 -1.563 1.142 1.00 0.00 C ATOM 0 H VAL A 27 -8.086 -0.217 3.347 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.882 -2.824 2.595 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.155 -1.567 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.215 -3.478 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.002 -3.989 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.825 -4.235 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.035 -1.495 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.678 -2.171 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.418 -0.563 1.261 1.00 0.00 H new ATOM 408 N LYS A 28 -7.446 -2.459 5.549 1.00 0.00 N ATOM 409 CA LYS A 28 -7.213 -3.109 6.833 1.00 0.00 C ATOM 410 C LYS A 28 -8.487 -3.774 7.345 1.00 0.00 C ATOM 411 O LYS A 28 -8.472 -4.934 7.753 1.00 0.00 O ATOM 412 CB LYS A 28 -6.708 -2.093 7.859 1.00 0.00 C ATOM 413 CG LYS A 28 -6.110 -2.729 9.102 1.00 0.00 C ATOM 414 CD LYS A 28 -4.619 -2.972 8.942 1.00 0.00 C ATOM 415 CE LYS A 28 -3.928 -3.108 10.290 1.00 0.00 C ATOM 416 NZ LYS A 28 -2.450 -2.965 10.174 1.00 0.00 N ATOM 0 H LYS A 28 -7.166 -1.479 5.516 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.454 -3.878 6.690 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.957 -1.458 7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.534 -1.446 8.154 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.284 -2.082 9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.614 -3.674 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.458 -3.877 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.173 -2.148 8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.313 -2.351 10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.166 -4.079 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.988 -3.502 10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.137 -3.332 9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.191 -1.961 10.253 1.00 0.00 H new ATOM 430 N ASN A 29 -9.588 -3.031 7.319 1.00 0.00 N ATOM 431 CA ASN A 29 -10.871 -3.549 7.780 1.00 0.00 C ATOM 432 C ASN A 29 -11.505 -4.450 6.724 1.00 0.00 C ATOM 433 O ASN A 29 -12.169 -5.434 7.051 1.00 0.00 O ATOM 434 CB ASN A 29 -11.819 -2.396 8.117 1.00 0.00 C ATOM 435 CG ASN A 29 -11.146 -1.318 8.944 1.00 0.00 C ATOM 436 OD1 ASN A 29 -10.320 -1.608 9.810 1.00 0.00 O ATOM 437 ND2 ASN A 29 -11.498 -0.064 8.681 1.00 0.00 N ATOM 0 H ASN A 29 -9.618 -2.068 6.984 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.694 -4.140 8.679 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.197 -1.958 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.680 -2.784 8.662 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.079 0.704 9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.187 0.131 7.954 1.00 0.00 H new ATOM 444 N TYR A 30 -11.294 -4.108 5.458 1.00 0.00 N ATOM 445 CA TYR A 30 -11.845 -4.884 4.354 1.00 0.00 C ATOM 446 C TYR A 30 -11.820 -6.376 4.672 1.00 0.00 C ATOM 447 O TYR A 30 -10.825 -6.900 5.176 1.00 0.00 O ATOM 448 CB TYR A 30 -11.062 -4.611 3.069 1.00 0.00 C ATOM 449 CG TYR A 30 -11.629 -5.309 1.854 1.00 0.00 C ATOM 450 CD1 TYR A 30 -12.682 -4.754 1.138 1.00 0.00 C ATOM 451 CD2 TYR A 30 -11.111 -6.524 1.421 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.204 -5.388 0.028 1.00 0.00 C ATOM 453 CE2 TYR A 30 -11.626 -7.165 0.311 1.00 0.00 C ATOM 454 CZ TYR A 30 -12.673 -6.594 -0.382 1.00 0.00 C ATOM 455 OH TYR A 30 -13.189 -7.228 -1.488 1.00 0.00 O ATOM 0 H TYR A 30 -10.745 -3.298 5.171 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.881 -4.579 4.210 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.045 -3.537 2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.028 -4.927 3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.100 -3.810 1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.292 -6.975 1.962 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.023 -4.942 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.211 -8.108 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.538 -6.560 -2.114 1.00 0.00 H new ATOM 465 N THR A 31 -12.921 -7.058 4.372 1.00 0.00 N ATOM 466 CA THR A 31 -13.027 -8.489 4.625 1.00 0.00 C ATOM 467 C THR A 31 -13.649 -9.213 3.436 1.00 0.00 C ATOM 468 O THR A 31 -13.992 -8.592 2.430 1.00 0.00 O ATOM 469 CB THR A 31 -13.868 -8.776 5.883 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.860 -7.757 6.053 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.985 -8.843 7.120 1.00 0.00 C ATOM 0 H THR A 31 -13.752 -6.641 3.953 1.00 0.00 H new ATOM 0 HA THR A 31 -12.014 -8.858 4.782 1.00 0.00 H new ATOM 0 HB THR A 31 -14.358 -9.741 5.753 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.391 -7.948 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.601 -9.047 7.996 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.250 -9.639 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.470 -7.891 7.252 1.00 0.00 H new ATOM 479 N ASP A 32 -13.792 -10.528 3.559 1.00 0.00 N ATOM 480 CA ASP A 32 -14.375 -11.336 2.494 1.00 0.00 C ATOM 481 C ASP A 32 -15.897 -11.351 2.594 1.00 0.00 C ATOM 482 O ASP A 32 -16.481 -10.672 3.439 1.00 0.00 O ATOM 483 CB ASP A 32 -13.833 -12.765 2.556 1.00 0.00 C ATOM 484 CG ASP A 32 -13.826 -13.441 1.198 1.00 0.00 C ATOM 485 OD1 ASP A 32 -12.949 -13.108 0.374 1.00 0.00 O ATOM 486 OD2 ASP A 32 -14.697 -14.303 0.961 1.00 0.00 O ATOM 0 H ASP A 32 -13.512 -11.057 4.385 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.097 -10.891 1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.819 -12.749 2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.439 -13.351 3.247 1.00 0.00 H new ATOM 491 N LYS A 33 -16.534 -12.128 1.724 1.00 0.00 N ATOM 492 CA LYS A 33 -17.988 -12.232 1.714 1.00 0.00 C ATOM 493 C LYS A 33 -18.504 -12.786 3.038 1.00 0.00 C ATOM 494 O LYS A 33 -19.685 -12.650 3.360 1.00 0.00 O ATOM 495 CB LYS A 33 -18.448 -13.127 0.560 1.00 0.00 C ATOM 496 CG LYS A 33 -19.957 -13.190 0.403 1.00 0.00 C ATOM 497 CD LYS A 33 -20.366 -14.214 -0.642 1.00 0.00 C ATOM 498 CE LYS A 33 -21.879 -14.325 -0.751 1.00 0.00 C ATOM 499 NZ LYS A 33 -22.482 -13.112 -1.372 1.00 0.00 N ATOM 0 H LYS A 33 -16.066 -12.695 1.017 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.397 -11.231 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -18.010 -12.762 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -18.065 -14.135 0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -20.413 -13.443 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -20.336 -12.208 0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -19.950 -13.934 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.946 -15.186 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -22.137 -15.203 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -22.304 -14.474 0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -23.505 -13.255 -1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -22.316 -12.289 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -22.046 -12.945 -2.301 1.00 0.00 H new ATOM 513 N ARG A 34 -17.612 -13.409 3.801 1.00 0.00 N ATOM 514 CA ARG A 34 -17.978 -13.983 5.090 1.00 0.00 C ATOM 515 C ARG A 34 -17.463 -13.117 6.236 1.00 0.00 C ATOM 516 O ARG A 34 -18.244 -12.506 6.965 1.00 0.00 O ATOM 517 CB ARG A 34 -17.420 -15.401 5.218 1.00 0.00 C ATOM 518 CG ARG A 34 -18.039 -16.389 4.242 1.00 0.00 C ATOM 519 CD ARG A 34 -17.386 -17.759 4.347 1.00 0.00 C ATOM 520 NE ARG A 34 -18.021 -18.592 5.365 1.00 0.00 N ATOM 521 CZ ARG A 34 -19.246 -19.090 5.247 1.00 0.00 C ATOM 522 NH1 ARG A 34 -19.965 -18.841 4.161 1.00 0.00 N ATOM 523 NH2 ARG A 34 -19.755 -19.839 6.216 1.00 0.00 N ATOM 0 H ARG A 34 -16.631 -13.529 3.549 1.00 0.00 H new ATOM 0 HA ARG A 34 -19.066 -14.022 5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.342 -15.374 5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.584 -15.757 6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -19.107 -16.478 4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.934 -16.012 3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.441 -18.262 3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.329 -17.639 4.584 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.495 -18.803 6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.577 -18.266 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.906 -19.225 4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.205 -20.033 7.053 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.696 -20.221 6.124 1.00 0.00 H new ATOM 537 N GLY A 35 -16.143 -13.071 6.390 1.00 0.00 N ATOM 538 CA GLY A 35 -15.547 -12.279 7.449 1.00 0.00 C ATOM 539 C GLY A 35 -14.105 -12.660 7.717 1.00 0.00 C ATOM 540 O GLY A 35 -13.650 -12.629 8.860 1.00 0.00 O ATOM 0 H GLY A 35 -15.476 -13.568 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.597 -11.224 7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.128 -12.404 8.363 1.00 0.00 H new ATOM 544 N ARG A 36 -13.384 -13.022 6.660 1.00 0.00 N ATOM 545 CA ARG A 36 -11.986 -13.414 6.788 1.00 0.00 C ATOM 546 C ARG A 36 -11.061 -12.250 6.440 1.00 0.00 C ATOM 547 O ARG A 36 -10.973 -11.839 5.283 1.00 0.00 O ATOM 548 CB ARG A 36 -11.684 -14.607 5.880 1.00 0.00 C ATOM 549 CG ARG A 36 -10.249 -15.098 5.975 1.00 0.00 C ATOM 550 CD ARG A 36 -10.098 -16.496 5.397 1.00 0.00 C ATOM 551 NE ARG A 36 -8.936 -17.192 5.943 1.00 0.00 N ATOM 552 CZ ARG A 36 -8.862 -17.629 7.196 1.00 0.00 C ATOM 553 NH1 ARG A 36 -9.878 -17.443 8.027 1.00 0.00 N ATOM 554 NH2 ARG A 36 -7.770 -18.253 7.618 1.00 0.00 N ATOM 0 H ARG A 36 -13.745 -13.052 5.707 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.808 -13.700 7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.357 -15.426 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.896 -14.330 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.592 -14.410 5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.932 -15.098 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.998 -17.074 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.006 -16.432 4.313 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.137 -17.352 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.719 -16.964 7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.819 -17.779 8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.987 -18.398 6.981 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.714 -18.588 8.580 1.00 0.00 H new ATOM 568 N ARG A 37 -10.375 -11.724 7.449 1.00 0.00 N ATOM 569 CA ARG A 37 -9.459 -10.608 7.251 1.00 0.00 C ATOM 570 C ARG A 37 -8.295 -11.013 6.352 1.00 0.00 C ATOM 571 O ARG A 37 -7.528 -11.919 6.681 1.00 0.00 O ATOM 572 CB ARG A 37 -8.929 -10.110 8.596 1.00 0.00 C ATOM 573 CG ARG A 37 -8.502 -8.651 8.581 1.00 0.00 C ATOM 574 CD ARG A 37 -8.633 -8.017 9.957 1.00 0.00 C ATOM 575 NE ARG A 37 -10.029 -7.795 10.325 1.00 0.00 N ATOM 576 CZ ARG A 37 -10.450 -7.697 11.581 1.00 0.00 C ATOM 577 NH1 ARG A 37 -9.589 -7.802 12.583 1.00 0.00 N ATOM 578 NH2 ARG A 37 -11.737 -7.494 11.837 1.00 0.00 N ATOM 0 H ARG A 37 -10.436 -12.053 8.412 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.008 -9.802 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.701 -10.246 9.354 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.079 -10.725 8.892 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.469 -8.577 8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.112 -8.100 7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.160 -8.660 10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.099 -7.067 9.971 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.718 -7.711 9.577 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.600 -7.959 12.391 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.916 -7.726 13.546 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.403 -7.413 11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.059 -7.419 12.802 1.00 0.00 H new ATOM 592 N LEU A 38 -8.169 -10.337 5.215 1.00 0.00 N ATOM 593 CA LEU A 38 -7.098 -10.627 4.267 1.00 0.00 C ATOM 594 C LEU A 38 -5.781 -10.013 4.730 1.00 0.00 C ATOM 595 O LEU A 38 -4.772 -10.707 4.858 1.00 0.00 O ATOM 596 CB LEU A 38 -7.462 -10.096 2.879 1.00 0.00 C ATOM 597 CG LEU A 38 -8.625 -10.797 2.176 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.953 -10.208 2.625 1.00 0.00 C ATOM 599 CD2 LEU A 38 -8.476 -10.691 0.665 1.00 0.00 C ATOM 0 H LEU A 38 -8.795 -9.585 4.927 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.975 -11.709 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.703 -9.037 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.581 -10.169 2.241 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.608 -11.852 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.769 -10.719 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.062 -10.336 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.981 -9.146 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.312 -11.195 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.467 -9.641 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.542 -11.161 0.358 1.00 0.00 H new ATOM 611 N SER A 39 -5.798 -8.708 4.981 1.00 0.00 N ATOM 612 CA SER A 39 -4.604 -8.000 5.428 1.00 0.00 C ATOM 613 C SER A 39 -3.914 -8.758 6.558 1.00 0.00 C ATOM 614 O SER A 39 -2.731 -8.552 6.827 1.00 0.00 O ATOM 615 CB SER A 39 -4.967 -6.588 5.893 1.00 0.00 C ATOM 616 OG SER A 39 -5.654 -6.620 7.132 1.00 0.00 O ATOM 0 H SER A 39 -6.625 -8.119 4.882 1.00 0.00 H new ATOM 0 HA SER A 39 -3.915 -7.932 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.061 -5.990 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.589 -6.103 5.141 1.00 0.00 H new ATOM 0 HG SER A 39 -5.594 -5.741 7.562 1.00 0.00 H new ATOM 622 N ALA A 40 -4.663 -9.636 7.217 1.00 0.00 N ATOM 623 CA ALA A 40 -4.125 -10.427 8.317 1.00 0.00 C ATOM 624 C ALA A 40 -2.824 -11.113 7.914 1.00 0.00 C ATOM 625 O ALA A 40 -1.839 -11.079 8.652 1.00 0.00 O ATOM 626 CB ALA A 40 -5.147 -11.456 8.776 1.00 0.00 C ATOM 0 H ALA A 40 -5.645 -9.818 7.008 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.908 -9.753 9.145 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.732 -12.040 9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.050 -10.947 9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.392 -12.120 7.947 1.00 0.00 H new ATOM 632 N ILE A 41 -2.828 -11.735 6.740 1.00 0.00 N ATOM 633 CA ILE A 41 -1.648 -12.429 6.240 1.00 0.00 C ATOM 634 C ILE A 41 -0.684 -11.459 5.566 1.00 0.00 C ATOM 635 O ILE A 41 0.357 -11.861 5.045 1.00 0.00 O ATOM 636 CB ILE A 41 -2.028 -13.536 5.239 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.807 -14.399 4.912 1.00 0.00 C ATOM 638 CG2 ILE A 41 -2.607 -12.928 3.971 1.00 0.00 C ATOM 639 CD1 ILE A 41 -1.154 -15.831 4.569 1.00 0.00 C ATOM 0 H ILE A 41 -3.635 -11.773 6.117 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.160 -12.882 7.103 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.788 -14.171 5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.271 -13.953 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.128 -14.392 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.871 -13.723 3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.499 -12.352 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.867 -12.273 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.241 -16.384 4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.664 -16.294 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.808 -15.848 3.697 1.00 0.00 H new ATOM 651 N PHE A 42 -1.037 -10.177 5.580 1.00 0.00 N ATOM 652 CA PHE A 42 -0.202 -9.148 4.971 1.00 0.00 C ATOM 653 C PHE A 42 0.022 -7.988 5.937 1.00 0.00 C ATOM 654 O PHE A 42 0.159 -6.837 5.521 1.00 0.00 O ATOM 655 CB PHE A 42 -0.848 -8.636 3.682 1.00 0.00 C ATOM 656 CG PHE A 42 -0.668 -9.561 2.513 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.594 -9.811 1.997 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.761 -10.181 1.929 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.761 -10.661 0.921 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.599 -11.033 0.853 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.336 -11.274 0.349 1.00 0.00 C ATOM 0 H PHE A 42 -1.895 -9.827 6.006 1.00 0.00 H new ATOM 0 HA PHE A 42 0.765 -9.592 4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.914 -8.484 3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.424 -7.663 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.456 -9.336 2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.751 -9.996 2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.749 -10.846 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.459 -11.510 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.207 -11.941 -0.491 1.00 0.00 H new ATOM 671 N LEU A 43 0.058 -8.300 7.228 1.00 0.00 N ATOM 672 CA LEU A 43 0.266 -7.284 8.254 1.00 0.00 C ATOM 673 C LEU A 43 1.753 -7.035 8.481 1.00 0.00 C ATOM 674 O LEU A 43 2.242 -5.921 8.293 1.00 0.00 O ATOM 675 CB LEU A 43 -0.397 -7.713 9.565 1.00 0.00 C ATOM 676 CG LEU A 43 -1.856 -7.292 9.748 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.378 -7.753 11.100 1.00 0.00 C ATOM 678 CD2 LEU A 43 -1.998 -5.784 9.604 1.00 0.00 C ATOM 0 H LEU A 43 -0.054 -9.247 7.589 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.190 -6.356 7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.341 -8.799 9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.184 -7.307 10.393 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.453 -7.768 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.417 -7.445 11.213 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.313 -8.839 11.164 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.779 -7.306 11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.043 -5.503 9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.389 -5.287 10.360 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.664 -5.480 8.612 1.00 0.00 H new ATOM 690 N ARG A 44 2.468 -8.080 8.885 1.00 0.00 N ATOM 691 CA ARG A 44 3.900 -7.975 9.136 1.00 0.00 C ATOM 692 C ARG A 44 4.649 -9.151 8.515 1.00 0.00 C ATOM 693 O ARG A 44 4.043 -10.042 7.920 1.00 0.00 O ATOM 694 CB ARG A 44 4.173 -7.921 10.640 1.00 0.00 C ATOM 695 CG ARG A 44 3.938 -6.550 11.253 1.00 0.00 C ATOM 696 CD ARG A 44 4.253 -6.543 12.741 1.00 0.00 C ATOM 697 NE ARG A 44 5.690 -6.586 12.996 1.00 0.00 N ATOM 698 CZ ARG A 44 6.218 -6.661 14.212 1.00 0.00 C ATOM 699 NH1 ARG A 44 5.432 -6.702 15.279 1.00 0.00 N ATOM 700 NH2 ARG A 44 7.536 -6.695 14.364 1.00 0.00 N ATOM 0 H ARG A 44 2.079 -9.009 9.045 1.00 0.00 H new ATOM 0 HA ARG A 44 4.257 -7.054 8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.536 -8.648 11.143 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.205 -8.220 10.824 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.559 -5.812 10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.900 -6.254 11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.831 -5.648 13.197 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.775 -7.399 13.217 1.00 0.00 H new ATOM 0 HE ARG A 44 6.323 -6.557 12.196 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.418 -6.676 15.167 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.841 -6.760 16.212 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.145 -6.663 13.546 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.940 -6.753 15.299 1.00 0.00 H new ATOM 714 N LEU A 45 5.970 -9.145 8.656 1.00 0.00 N ATOM 715 CA LEU A 45 6.802 -10.211 8.109 1.00 0.00 C ATOM 716 C LEU A 45 7.424 -11.044 9.225 1.00 0.00 C ATOM 717 O LEU A 45 7.660 -10.564 10.333 1.00 0.00 O ATOM 718 CB LEU A 45 7.902 -9.622 7.223 1.00 0.00 C ATOM 719 CG LEU A 45 7.459 -9.113 5.851 1.00 0.00 C ATOM 720 CD1 LEU A 45 6.729 -10.207 5.087 1.00 0.00 C ATOM 721 CD2 LEU A 45 6.576 -7.883 5.998 1.00 0.00 C ATOM 0 H LEU A 45 6.488 -8.414 9.144 1.00 0.00 H new ATOM 0 HA LEU A 45 6.167 -10.861 7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.371 -8.797 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.668 -10.383 7.076 1.00 0.00 H new ATOM 0 HG LEU A 45 8.347 -8.832 5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.421 -9.827 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.393 -11.060 4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.849 -10.519 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.270 -7.535 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.692 -8.137 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.132 -7.094 6.505 1.00 0.00 H new ATOM 733 N PRO A 46 7.698 -12.323 8.926 1.00 0.00 N ATOM 734 CA PRO A 46 8.299 -13.250 9.890 1.00 0.00 C ATOM 735 C PRO A 46 9.753 -12.907 10.195 1.00 0.00 C ATOM 736 O PRO A 46 10.492 -12.460 9.318 1.00 0.00 O ATOM 737 CB PRO A 46 8.206 -14.605 9.185 1.00 0.00 C ATOM 738 CG PRO A 46 8.170 -14.274 7.733 1.00 0.00 C ATOM 739 CD PRO A 46 7.443 -12.962 7.624 1.00 0.00 C ATOM 0 HA PRO A 46 7.792 -13.220 10.854 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.061 -15.236 9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.312 -15.149 9.489 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.178 -14.196 7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.657 -15.052 7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.823 -12.359 6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.377 -13.106 7.449 1.00 0.00 H new ATOM 747 N SER A 47 10.157 -13.119 11.443 1.00 0.00 N ATOM 748 CA SER A 47 11.523 -12.830 11.865 1.00 0.00 C ATOM 749 C SER A 47 12.531 -13.530 10.959 1.00 0.00 C ATOM 750 O SER A 47 12.179 -14.438 10.206 1.00 0.00 O ATOM 751 CB SER A 47 11.735 -13.265 13.316 1.00 0.00 C ATOM 752 OG SER A 47 12.009 -14.653 13.396 1.00 0.00 O ATOM 0 H SER A 47 9.558 -13.490 12.180 1.00 0.00 H new ATOM 0 HA SER A 47 11.680 -11.754 11.790 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.561 -12.702 13.751 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.846 -13.032 13.903 1.00 0.00 H new ATOM 0 HG SER A 47 12.142 -14.907 14.333 1.00 0.00 H new ATOM 758 N ARG A 48 13.786 -13.101 11.038 1.00 0.00 N ATOM 759 CA ARG A 48 14.846 -13.685 10.225 1.00 0.00 C ATOM 760 C ARG A 48 15.070 -15.149 10.594 1.00 0.00 C ATOM 761 O ARG A 48 14.969 -16.036 9.746 1.00 0.00 O ATOM 762 CB ARG A 48 16.147 -12.899 10.403 1.00 0.00 C ATOM 763 CG ARG A 48 17.203 -13.226 9.360 1.00 0.00 C ATOM 764 CD ARG A 48 18.416 -12.318 9.493 1.00 0.00 C ATOM 765 NE ARG A 48 19.386 -12.542 8.424 1.00 0.00 N ATOM 766 CZ ARG A 48 20.675 -12.237 8.527 1.00 0.00 C ATOM 767 NH1 ARG A 48 21.146 -11.698 9.643 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.496 -12.471 7.511 1.00 0.00 N ATOM 0 H ARG A 48 14.094 -12.351 11.657 1.00 0.00 H new ATOM 0 HA ARG A 48 14.538 -13.634 9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 48 15.926 -11.832 10.362 1.00 0.00 H new ATOM 0 HB3 ARG A 48 16.552 -13.103 11.394 1.00 0.00 H new ATOM 0 HG2 ARG A 48 17.512 -14.266 9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 48 16.776 -13.121 8.363 1.00 0.00 H new ATOM 0 HD2 ARG A 48 18.093 -11.277 9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 48 18.893 -12.489 10.458 1.00 0.00 H new ATOM 0 HE ARG A 48 19.056 -12.955 7.552 1.00 0.00 H new ATOM 0 HH11 ARG A 48 20.518 -11.516 10.426 1.00 0.00 H new ATOM 0 HH12 ARG A 48 22.136 -11.465 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 48 21.137 -12.885 6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 48 22.486 -12.237 7.591 1.00 0.00 H new ATOM 782 N SER A 49 15.376 -15.394 11.864 1.00 0.00 N ATOM 783 CA SER A 49 15.619 -16.749 12.345 1.00 0.00 C ATOM 784 C SER A 49 14.600 -17.723 11.761 1.00 0.00 C ATOM 785 O SER A 49 14.951 -18.824 11.337 1.00 0.00 O ATOM 786 CB SER A 49 15.561 -16.789 13.873 1.00 0.00 C ATOM 787 OG SER A 49 14.221 -16.793 14.333 1.00 0.00 O ATOM 0 H SER A 49 15.462 -14.671 12.579 1.00 0.00 H new ATOM 0 HA SER A 49 16.614 -17.051 12.018 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.076 -17.678 14.236 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.087 -15.926 14.283 1.00 0.00 H new ATOM 0 HG SER A 49 13.730 -16.053 13.918 1.00 0.00 H new ATOM 793 N GLU A 50 13.337 -17.308 11.742 1.00 0.00 N ATOM 794 CA GLU A 50 12.267 -18.144 11.211 1.00 0.00 C ATOM 795 C GLU A 50 12.407 -18.313 9.701 1.00 0.00 C ATOM 796 O GLU A 50 12.798 -19.377 9.217 1.00 0.00 O ATOM 797 CB GLU A 50 10.902 -17.536 11.543 1.00 0.00 C ATOM 798 CG GLU A 50 10.438 -17.822 12.961 1.00 0.00 C ATOM 799 CD GLU A 50 9.872 -19.220 13.119 1.00 0.00 C ATOM 800 OE1 GLU A 50 10.332 -20.131 12.400 1.00 0.00 O ATOM 801 OE2 GLU A 50 8.970 -19.402 13.964 1.00 0.00 O ATOM 0 H GLU A 50 13.030 -16.399 12.088 1.00 0.00 H new ATOM 0 HA GLU A 50 12.343 -19.126 11.678 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.949 -16.457 11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.161 -17.922 10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.276 -17.694 13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.679 -17.093 13.245 1.00 0.00 H new ATOM 808 N LEU A 51 12.085 -17.258 8.961 1.00 0.00 N ATOM 809 CA LEU A 51 12.174 -17.288 7.505 1.00 0.00 C ATOM 810 C LEU A 51 13.283 -16.365 7.008 1.00 0.00 C ATOM 811 O LEU A 51 13.032 -15.278 6.487 1.00 0.00 O ATOM 812 CB LEU A 51 10.838 -16.878 6.884 1.00 0.00 C ATOM 813 CG LEU A 51 10.529 -17.467 5.508 1.00 0.00 C ATOM 814 CD1 LEU A 51 10.442 -18.984 5.583 1.00 0.00 C ATOM 815 CD2 LEU A 51 9.236 -16.884 4.956 1.00 0.00 C ATOM 0 H LEU A 51 11.760 -16.371 9.345 1.00 0.00 H new ATOM 0 HA LEU A 51 12.411 -18.308 7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.039 -17.165 7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.815 -15.791 6.805 1.00 0.00 H new ATOM 0 HG LEU A 51 11.342 -17.203 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.221 -19.385 4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.392 -19.386 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.650 -19.269 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.032 -17.315 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.414 -17.117 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.335 -15.802 4.863 1.00 0.00 H new ATOM 827 N PRO A 52 14.539 -16.807 7.171 1.00 0.00 N ATOM 828 CA PRO A 52 15.711 -16.038 6.743 1.00 0.00 C ATOM 829 C PRO A 52 15.830 -15.960 5.225 1.00 0.00 C ATOM 830 O PRO A 52 16.338 -14.979 4.682 1.00 0.00 O ATOM 831 CB PRO A 52 16.885 -16.823 7.333 1.00 0.00 C ATOM 832 CG PRO A 52 16.377 -18.216 7.473 1.00 0.00 C ATOM 833 CD PRO A 52 14.911 -18.093 7.785 1.00 0.00 C ATOM 0 HA PRO A 52 15.663 -15.002 7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 52 17.756 -16.783 6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.190 -16.414 8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.534 -18.783 6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.902 -18.745 8.268 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.340 -18.920 7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 52 14.727 -18.094 8.859 1.00 0.00 H new ATOM 841 N ASP A 53 15.359 -16.999 4.545 1.00 0.00 N ATOM 842 CA ASP A 53 15.412 -17.048 3.089 1.00 0.00 C ATOM 843 C ASP A 53 14.588 -15.919 2.477 1.00 0.00 C ATOM 844 O ASP A 53 15.015 -15.274 1.519 1.00 0.00 O ATOM 845 CB ASP A 53 14.903 -18.399 2.583 1.00 0.00 C ATOM 846 CG ASP A 53 13.600 -18.810 3.242 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.643 -19.287 4.395 1.00 0.00 O ATOM 848 OD2 ASP A 53 12.538 -18.654 2.604 1.00 0.00 O ATOM 0 H ASP A 53 14.936 -17.819 4.979 1.00 0.00 H new ATOM 0 HA ASP A 53 16.451 -16.923 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.761 -18.349 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.658 -19.162 2.771 1.00 0.00 H new ATOM 853 N TYR A 54 13.405 -15.687 3.036 1.00 0.00 N ATOM 854 CA TYR A 54 12.520 -14.638 2.543 1.00 0.00 C ATOM 855 C TYR A 54 13.318 -13.420 2.088 1.00 0.00 C ATOM 856 O TYR A 54 13.277 -13.038 0.918 1.00 0.00 O ATOM 857 CB TYR A 54 11.523 -14.232 3.629 1.00 0.00 C ATOM 858 CG TYR A 54 10.545 -13.167 3.186 1.00 0.00 C ATOM 859 CD1 TYR A 54 9.535 -13.458 2.278 1.00 0.00 C ATOM 860 CD2 TYR A 54 10.631 -11.870 3.676 1.00 0.00 C ATOM 861 CE1 TYR A 54 8.640 -12.489 1.869 1.00 0.00 C ATOM 862 CE2 TYR A 54 9.739 -10.894 3.275 1.00 0.00 C ATOM 863 CZ TYR A 54 8.746 -11.208 2.371 1.00 0.00 C ATOM 864 OH TYR A 54 7.855 -10.240 1.967 1.00 0.00 O ATOM 0 H TYR A 54 13.037 -16.211 3.830 1.00 0.00 H new ATOM 0 HA TYR A 54 11.974 -15.032 1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.967 -15.114 3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.073 -13.870 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.448 -14.460 1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.409 -11.620 4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.862 -12.732 1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.819 -9.891 3.667 1.00 0.00 H new ATOM 0 HH TYR A 54 8.066 -9.394 2.414 1.00 0.00 H new ATOM 874 N TYR A 55 14.045 -12.816 3.021 1.00 0.00 N ATOM 875 CA TYR A 55 14.852 -11.640 2.718 1.00 0.00 C ATOM 876 C TYR A 55 15.809 -11.919 1.563 1.00 0.00 C ATOM 877 O TYR A 55 15.835 -11.188 0.572 1.00 0.00 O ATOM 878 CB TYR A 55 15.641 -11.204 3.954 1.00 0.00 C ATOM 879 CG TYR A 55 14.794 -10.514 5.000 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.130 -9.328 4.712 1.00 0.00 C ATOM 881 CD2 TYR A 55 14.660 -11.047 6.276 1.00 0.00 C ATOM 882 CE1 TYR A 55 13.356 -8.694 5.665 1.00 0.00 C ATOM 883 CE2 TYR A 55 13.887 -10.421 7.234 1.00 0.00 C ATOM 884 CZ TYR A 55 13.237 -9.244 6.924 1.00 0.00 C ATOM 885 OH TYR A 55 12.468 -8.616 7.876 1.00 0.00 O ATOM 0 H TYR A 55 14.092 -13.121 3.993 1.00 0.00 H new ATOM 0 HA TYR A 55 14.179 -10.835 2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.114 -12.079 4.400 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.442 -10.532 3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.220 -8.894 3.727 1.00 0.00 H new ATOM 0 HD2 TYR A 55 15.169 -11.967 6.523 1.00 0.00 H new ATOM 0 HE1 TYR A 55 12.847 -7.772 5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 55 13.792 -10.850 8.220 1.00 0.00 H new ATOM 0 HH TYR A 55 12.489 -9.134 8.707 1.00 0.00 H new ATOM 895 N LEU A 56 16.594 -12.982 1.698 1.00 0.00 N ATOM 896 CA LEU A 56 17.553 -13.360 0.666 1.00 0.00 C ATOM 897 C LEU A 56 16.895 -13.377 -0.710 1.00 0.00 C ATOM 898 O LEU A 56 17.206 -12.553 -1.570 1.00 0.00 O ATOM 899 CB LEU A 56 18.150 -14.735 0.975 1.00 0.00 C ATOM 900 CG LEU A 56 19.095 -14.801 2.175 1.00 0.00 C ATOM 901 CD1 LEU A 56 19.390 -16.247 2.542 1.00 0.00 C ATOM 902 CD2 LEU A 56 20.385 -14.050 1.881 1.00 0.00 C ATOM 0 H LEU A 56 16.585 -13.597 2.512 1.00 0.00 H new ATOM 0 HA LEU A 56 18.351 -12.617 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.332 -15.435 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.689 -15.081 0.093 1.00 0.00 H new ATOM 0 HG LEU A 56 18.606 -14.324 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.064 -16.275 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.460 -16.755 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.858 -16.749 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.045 -14.108 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.878 -14.498 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.157 -13.006 1.668 1.00 0.00 H new ATOM 914 N THR A 57 15.980 -14.321 -0.911 1.00 0.00 N ATOM 915 CA THR A 57 15.277 -14.445 -2.182 1.00 0.00 C ATOM 916 C THR A 57 14.581 -13.141 -2.555 1.00 0.00 C ATOM 917 O THR A 57 14.957 -12.482 -3.525 1.00 0.00 O ATOM 918 CB THR A 57 14.232 -15.576 -2.137 1.00 0.00 C ATOM 919 OG1 THR A 57 14.827 -16.773 -1.623 1.00 0.00 O ATOM 920 CG2 THR A 57 13.662 -15.842 -3.523 1.00 0.00 C ATOM 0 H THR A 57 15.709 -15.010 -0.210 1.00 0.00 H new ATOM 0 HA THR A 57 16.027 -14.682 -2.936 1.00 0.00 H new ATOM 0 HB THR A 57 13.420 -15.264 -1.481 1.00 0.00 H new ATOM 0 HG1 THR A 57 14.156 -17.486 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.926 -16.644 -3.466 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.184 -14.938 -3.900 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.467 -16.135 -4.197 1.00 0.00 H new ATOM 928 N ILE A 58 13.567 -12.774 -1.778 1.00 0.00 N ATOM 929 CA ILE A 58 12.821 -11.547 -2.027 1.00 0.00 C ATOM 930 C ILE A 58 13.760 -10.356 -2.190 1.00 0.00 C ATOM 931 O ILE A 58 14.365 -9.891 -1.224 1.00 0.00 O ATOM 932 CB ILE A 58 11.828 -11.251 -0.888 1.00 0.00 C ATOM 933 CG1 ILE A 58 10.773 -12.356 -0.801 1.00 0.00 C ATOM 934 CG2 ILE A 58 11.168 -9.896 -1.098 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.919 -12.474 -2.044 1.00 0.00 C ATOM 0 H ILE A 58 13.244 -13.309 -0.972 1.00 0.00 H new ATOM 0 HA ILE A 58 12.265 -11.698 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 58 12.377 -11.224 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.270 -13.309 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 58 10.128 -12.165 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.469 -9.702 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.931 -9.118 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.630 -9.896 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.193 -13.277 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.394 -11.534 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.554 -12.696 -2.902 1.00 0.00 H new ATOM 947 N LYS A 59 13.875 -9.864 -3.419 1.00 0.00 N ATOM 948 CA LYS A 59 14.737 -8.725 -3.710 1.00 0.00 C ATOM 949 C LYS A 59 14.577 -7.637 -2.653 1.00 0.00 C ATOM 950 O LYS A 59 15.555 -7.023 -2.227 1.00 0.00 O ATOM 951 CB LYS A 59 14.415 -8.156 -5.094 1.00 0.00 C ATOM 952 CG LYS A 59 15.173 -8.836 -6.222 1.00 0.00 C ATOM 953 CD LYS A 59 14.400 -10.021 -6.778 1.00 0.00 C ATOM 954 CE LYS A 59 15.335 -11.077 -7.347 1.00 0.00 C ATOM 955 NZ LYS A 59 14.601 -12.311 -7.743 1.00 0.00 N ATOM 0 H LYS A 59 13.381 -10.237 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 59 15.770 -9.071 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.345 -8.252 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.646 -7.091 -5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.362 -8.117 -7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.144 -9.172 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.789 -10.461 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.718 -9.679 -7.557 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.857 -10.671 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.094 -11.328 -6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.273 -13.007 -8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.123 -12.713 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.894 -12.077 -8.469 1.00 0.00 H new ATOM 969 N LYS A 60 13.338 -7.405 -2.232 1.00 0.00 N ATOM 970 CA LYS A 60 13.050 -6.394 -1.222 1.00 0.00 C ATOM 971 C LYS A 60 11.718 -6.676 -0.535 1.00 0.00 C ATOM 972 O LYS A 60 10.693 -6.897 -1.181 1.00 0.00 O ATOM 973 CB LYS A 60 13.023 -5.002 -1.858 1.00 0.00 C ATOM 974 CG LYS A 60 12.378 -4.973 -3.233 1.00 0.00 C ATOM 975 CD LYS A 60 10.898 -4.638 -3.147 1.00 0.00 C ATOM 976 CE LYS A 60 10.109 -5.316 -4.257 1.00 0.00 C ATOM 977 NZ LYS A 60 9.705 -6.700 -3.885 1.00 0.00 N ATOM 0 H LYS A 60 12.517 -7.904 -2.575 1.00 0.00 H new ATOM 0 HA LYS A 60 13.840 -6.429 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.484 -4.321 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.044 -4.628 -1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.883 -4.236 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.505 -5.942 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.508 -4.951 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.764 -3.558 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.220 -4.727 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.711 -5.345 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.154 -7.379 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.008 -6.900 -2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.671 -6.790 -3.952 1.00 0.00 H new ATOM 991 N PRO A 61 11.729 -6.667 0.806 1.00 0.00 N ATOM 992 CA PRO A 61 10.529 -6.918 1.610 1.00 0.00 C ATOM 993 C PRO A 61 9.518 -5.780 1.514 1.00 0.00 C ATOM 994 O PRO A 61 9.870 -4.653 1.164 1.00 0.00 O ATOM 995 CB PRO A 61 11.074 -7.029 3.036 1.00 0.00 C ATOM 996 CG PRO A 61 12.339 -6.242 3.021 1.00 0.00 C ATOM 997 CD PRO A 61 12.915 -6.410 1.642 1.00 0.00 C ATOM 0 HA PRO A 61 9.992 -7.805 1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.367 -6.628 3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.257 -8.068 3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.147 -5.191 3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.032 -6.603 3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.449 -5.517 1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.623 -7.238 1.600 1.00 0.00 H new ATOM 1005 N MET A 62 8.263 -6.082 1.826 1.00 0.00 N ATOM 1006 CA MET A 62 7.201 -5.084 1.776 1.00 0.00 C ATOM 1007 C MET A 62 6.137 -5.368 2.831 1.00 0.00 C ATOM 1008 O MET A 62 5.463 -6.397 2.785 1.00 0.00 O ATOM 1009 CB MET A 62 6.563 -5.056 0.385 1.00 0.00 C ATOM 1010 CG MET A 62 5.266 -4.265 0.328 1.00 0.00 C ATOM 1011 SD MET A 62 4.974 -3.528 -1.291 1.00 0.00 S ATOM 1012 CE MET A 62 5.759 -1.931 -1.083 1.00 0.00 C ATOM 0 H MET A 62 7.956 -7.010 2.116 1.00 0.00 H new ATOM 0 HA MET A 62 7.643 -4.110 1.985 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.272 -4.627 -0.323 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.370 -6.079 0.062 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.433 -4.921 0.580 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.291 -3.478 1.082 1.00 0.00 H new ATOM 0 HE1 MET A 62 5.868 -1.450 -2.055 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.145 -1.305 -0.435 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.742 -2.065 -0.632 1.00 0.00 H new ATOM 1022 N ASP A 63 5.991 -4.449 3.780 1.00 0.00 N ATOM 1023 CA ASP A 63 5.008 -4.601 4.846 1.00 0.00 C ATOM 1024 C ASP A 63 3.968 -3.486 4.789 1.00 0.00 C ATOM 1025 O ASP A 63 4.083 -2.558 3.990 1.00 0.00 O ATOM 1026 CB ASP A 63 5.699 -4.601 6.210 1.00 0.00 C ATOM 1027 CG ASP A 63 6.638 -3.423 6.383 1.00 0.00 C ATOM 1028 OD1 ASP A 63 7.138 -2.908 5.362 1.00 0.00 O ATOM 1029 OD2 ASP A 63 6.873 -3.017 7.541 1.00 0.00 O ATOM 0 H ASP A 63 6.541 -3.592 3.832 1.00 0.00 H new ATOM 0 HA ASP A 63 4.500 -5.555 4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.944 -4.579 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.258 -5.529 6.331 1.00 0.00 H new ATOM 1034 N MET A 64 2.953 -3.586 5.641 1.00 0.00 N ATOM 1035 CA MET A 64 1.893 -2.586 5.687 1.00 0.00 C ATOM 1036 C MET A 64 2.345 -1.350 6.457 1.00 0.00 C ATOM 1037 O MET A 64 1.709 -0.299 6.389 1.00 0.00 O ATOM 1038 CB MET A 64 0.637 -3.173 6.334 1.00 0.00 C ATOM 1039 CG MET A 64 -0.309 -3.828 5.341 1.00 0.00 C ATOM 1040 SD MET A 64 -1.765 -4.538 6.132 1.00 0.00 S ATOM 1041 CE MET A 64 -3.026 -3.368 5.632 1.00 0.00 C ATOM 0 H MET A 64 2.842 -4.349 6.309 1.00 0.00 H new ATOM 0 HA MET A 64 1.662 -2.290 4.664 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.933 -3.909 7.081 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.106 -2.381 6.861 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.625 -3.089 4.604 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.223 -4.610 4.800 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.922 -3.520 6.233 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.659 -2.352 5.779 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.265 -3.519 4.579 1.00 0.00 H new ATOM 1051 N GLU A 65 3.447 -1.484 7.189 1.00 0.00 N ATOM 1052 CA GLU A 65 3.983 -0.376 7.972 1.00 0.00 C ATOM 1053 C GLU A 65 4.643 0.660 7.068 1.00 0.00 C ATOM 1054 O GLU A 65 4.274 1.835 7.078 1.00 0.00 O ATOM 1055 CB GLU A 65 4.993 -0.891 8.999 1.00 0.00 C ATOM 1056 CG GLU A 65 4.452 -2.004 9.881 1.00 0.00 C ATOM 1057 CD GLU A 65 5.536 -2.952 10.355 1.00 0.00 C ATOM 1058 OE1 GLU A 65 6.192 -2.643 11.371 1.00 0.00 O ATOM 1059 OE2 GLU A 65 5.728 -4.004 9.709 1.00 0.00 O ATOM 0 H GLU A 65 3.985 -2.348 7.256 1.00 0.00 H new ATOM 0 HA GLU A 65 3.154 0.100 8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.878 -1.252 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.312 -0.061 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.953 -1.567 10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.699 -2.566 9.329 1.00 0.00 H new ATOM 1066 N LYS A 66 5.623 0.218 6.287 1.00 0.00 N ATOM 1067 CA LYS A 66 6.336 1.105 5.376 1.00 0.00 C ATOM 1068 C LYS A 66 5.376 2.084 4.707 1.00 0.00 C ATOM 1069 O LYS A 66 5.759 3.200 4.356 1.00 0.00 O ATOM 1070 CB LYS A 66 7.073 0.290 4.311 1.00 0.00 C ATOM 1071 CG LYS A 66 6.152 -0.338 3.279 1.00 0.00 C ATOM 1072 CD LYS A 66 6.837 -0.471 1.929 1.00 0.00 C ATOM 1073 CE LYS A 66 6.666 0.787 1.091 1.00 0.00 C ATOM 1074 NZ LYS A 66 7.722 0.906 0.048 1.00 0.00 N ATOM 0 H LYS A 66 5.942 -0.751 6.267 1.00 0.00 H new ATOM 0 HA LYS A 66 7.062 1.674 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.788 0.936 3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.647 -0.497 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.833 -1.321 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.253 0.270 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.899 -0.670 2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.424 -1.326 1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.685 0.776 0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.696 1.662 1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.571 1.776 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.657 0.942 0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.677 0.083 -0.587 1.00 0.00 H new ATOM 1088 N ILE A 67 4.129 1.659 4.537 1.00 0.00 N ATOM 1089 CA ILE A 67 3.114 2.500 3.913 1.00 0.00 C ATOM 1090 C ILE A 67 2.291 3.238 4.963 1.00 0.00 C ATOM 1091 O ILE A 67 1.856 4.369 4.743 1.00 0.00 O ATOM 1092 CB ILE A 67 2.168 1.673 3.022 1.00 0.00 C ATOM 1093 CG1 ILE A 67 2.893 1.219 1.754 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.930 2.484 2.669 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.441 -0.134 1.250 1.00 0.00 C ATOM 0 H ILE A 67 3.797 0.738 4.822 1.00 0.00 H new ATOM 0 HA ILE A 67 3.641 3.225 3.293 1.00 0.00 H new ATOM 0 HB ILE A 67 1.854 0.788 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.736 1.960 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.965 1.185 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.271 1.886 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.405 2.762 3.583 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.226 3.385 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.998 -0.391 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.623 -0.887 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.376 -0.100 1.021 1.00 0.00 H new ATOM 1107 N ARG A 68 2.082 2.591 6.105 1.00 0.00 N ATOM 1108 CA ARG A 68 1.311 3.187 7.189 1.00 0.00 C ATOM 1109 C ARG A 68 2.131 4.244 7.923 1.00 0.00 C ATOM 1110 O ARG A 68 1.728 5.404 8.013 1.00 0.00 O ATOM 1111 CB ARG A 68 0.856 2.107 8.173 1.00 0.00 C ATOM 1112 CG ARG A 68 -0.410 2.469 8.932 1.00 0.00 C ATOM 1113 CD ARG A 68 -0.558 1.638 10.197 1.00 0.00 C ATOM 1114 NE ARG A 68 0.478 1.947 11.179 1.00 0.00 N ATOM 1115 CZ ARG A 68 0.845 1.115 12.147 1.00 0.00 C ATOM 1116 NH1 ARG A 68 0.264 -0.071 12.262 1.00 0.00 N ATOM 1117 NH2 ARG A 68 1.796 1.469 13.002 1.00 0.00 N ATOM 0 H ARG A 68 2.436 1.655 6.303 1.00 0.00 H new ATOM 0 HA ARG A 68 0.434 3.668 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.690 1.178 7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.657 1.918 8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.390 3.528 9.191 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.277 2.314 8.290 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.539 1.818 10.636 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.512 0.579 9.943 1.00 0.00 H new ATOM 0 HE ARG A 68 0.945 2.852 11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.467 -0.347 11.606 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.548 -0.708 13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.246 2.381 12.916 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.077 0.830 13.745 1.00 0.00 H new ATOM 1131 N SER A 69 3.283 3.835 8.445 1.00 0.00 N ATOM 1132 CA SER A 69 4.157 4.746 9.174 1.00 0.00 C ATOM 1133 C SER A 69 4.507 5.962 8.321 1.00 0.00 C ATOM 1134 O SER A 69 4.585 7.085 8.822 1.00 0.00 O ATOM 1135 CB SER A 69 5.437 4.025 9.602 1.00 0.00 C ATOM 1136 OG SER A 69 6.135 4.767 10.588 1.00 0.00 O ATOM 0 H SER A 69 3.632 2.879 8.377 1.00 0.00 H new ATOM 0 HA SER A 69 3.625 5.087 10.062 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.189 3.038 9.993 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.079 3.872 8.735 1.00 0.00 H new ATOM 0 HG SER A 69 6.948 4.285 10.846 1.00 0.00 H new ATOM 1142 N HIS A 70 4.718 5.731 7.029 1.00 0.00 N ATOM 1143 CA HIS A 70 5.059 6.807 6.106 1.00 0.00 C ATOM 1144 C HIS A 70 3.858 7.716 5.864 1.00 0.00 C ATOM 1145 O HIS A 70 3.973 8.940 5.919 1.00 0.00 O ATOM 1146 CB HIS A 70 5.552 6.230 4.778 1.00 0.00 C ATOM 1147 CG HIS A 70 6.977 5.769 4.818 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.659 5.335 3.701 1.00 0.00 N ATOM 1149 CD2 HIS A 70 7.849 5.678 5.849 1.00 0.00 C ATOM 1150 CE1 HIS A 70 8.889 4.995 4.044 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.030 5.194 5.342 1.00 0.00 N ATOM 0 H HIS A 70 4.659 4.808 6.598 1.00 0.00 H new ATOM 0 HA HIS A 70 5.856 7.399 6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.915 5.391 4.497 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.445 6.986 4.000 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.653 5.938 6.879 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.650 4.618 3.376 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.878 5.017 5.880 1.00 0.00 H new ATOM 1160 N MET A 71 2.707 7.109 5.595 1.00 0.00 N ATOM 1161 CA MET A 71 1.485 7.865 5.345 1.00 0.00 C ATOM 1162 C MET A 71 1.302 8.964 6.387 1.00 0.00 C ATOM 1163 O MET A 71 1.223 10.145 6.050 1.00 0.00 O ATOM 1164 CB MET A 71 0.272 6.932 5.352 1.00 0.00 C ATOM 1165 CG MET A 71 -0.058 6.353 3.986 1.00 0.00 C ATOM 1166 SD MET A 71 -0.917 4.771 4.091 1.00 0.00 S ATOM 1167 CE MET A 71 -2.005 5.069 5.483 1.00 0.00 C ATOM 0 H MET A 71 2.595 6.096 5.545 1.00 0.00 H new ATOM 0 HA MET A 71 1.570 8.331 4.363 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.457 6.115 6.049 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.594 7.479 5.725 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.676 7.062 3.435 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.863 6.225 3.418 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.982 4.210 6.153 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.673 5.957 6.021 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.023 5.222 5.123 1.00 0.00 H new ATOM 1177 N MET A 72 1.236 8.567 7.653 1.00 0.00 N ATOM 1178 CA MET A 72 1.063 9.519 8.744 1.00 0.00 C ATOM 1179 C MET A 72 2.274 10.440 8.858 1.00 0.00 C ATOM 1180 O MET A 72 2.231 11.454 9.554 1.00 0.00 O ATOM 1181 CB MET A 72 0.844 8.780 10.066 1.00 0.00 C ATOM 1182 CG MET A 72 -0.328 7.812 10.033 1.00 0.00 C ATOM 1183 SD MET A 72 -1.095 7.596 11.651 1.00 0.00 S ATOM 1184 CE MET A 72 -2.771 8.123 11.305 1.00 0.00 C ATOM 0 H MET A 72 1.300 7.593 7.949 1.00 0.00 H new ATOM 0 HA MET A 72 0.185 10.127 8.527 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.751 8.232 10.321 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.680 9.510 10.858 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.075 8.175 9.327 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.015 6.845 9.665 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.222 8.521 12.214 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.758 8.897 10.538 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.354 7.272 10.953 1.00 0.00 H new ATOM 1194 N ALA A 73 3.353 10.079 8.172 1.00 0.00 N ATOM 1195 CA ALA A 73 4.575 10.874 8.195 1.00 0.00 C ATOM 1196 C ALA A 73 4.622 11.843 7.018 1.00 0.00 C ATOM 1197 O ALA A 73 5.692 12.308 6.628 1.00 0.00 O ATOM 1198 CB ALA A 73 5.795 9.966 8.183 1.00 0.00 C ATOM 0 H ALA A 73 3.406 9.241 7.593 1.00 0.00 H new ATOM 0 HA ALA A 73 4.581 11.460 9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.700 10.573 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.775 9.318 9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.785 9.355 7.280 1.00 0.00 H new ATOM 1204 N ASN A 74 3.455 12.141 6.456 1.00 0.00 N ATOM 1205 CA ASN A 74 3.365 13.054 5.322 1.00 0.00 C ATOM 1206 C ASN A 74 4.519 12.830 4.350 1.00 0.00 C ATOM 1207 O ASN A 74 4.994 13.765 3.706 1.00 0.00 O ATOM 1208 CB ASN A 74 3.366 14.505 5.807 1.00 0.00 C ATOM 1209 CG ASN A 74 4.564 14.821 6.682 1.00 0.00 C ATOM 1210 OD1 ASN A 74 5.705 14.806 6.220 1.00 0.00 O ATOM 1211 ND2 ASN A 74 4.309 15.109 7.953 1.00 0.00 N ATOM 0 H ASN A 74 2.560 11.764 6.767 1.00 0.00 H new ATOM 0 HA ASN A 74 2.430 12.853 4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.362 15.173 4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.450 14.699 6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.075 15.330 8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.347 15.110 8.293 1.00 0.00 H new ATOM 1218 N LYS A 75 4.965 11.582 4.248 1.00 0.00 N ATOM 1219 CA LYS A 75 6.062 11.233 3.353 1.00 0.00 C ATOM 1220 C LYS A 75 5.563 11.062 1.922 1.00 0.00 C ATOM 1221 O LYS A 75 6.313 11.262 0.965 1.00 0.00 O ATOM 1222 CB LYS A 75 6.741 9.945 3.824 1.00 0.00 C ATOM 1223 CG LYS A 75 7.890 10.181 4.789 1.00 0.00 C ATOM 1224 CD LYS A 75 8.630 8.891 5.102 1.00 0.00 C ATOM 1225 CE LYS A 75 9.543 9.050 6.308 1.00 0.00 C ATOM 1226 NZ LYS A 75 8.812 8.840 7.588 1.00 0.00 N ATOM 0 H LYS A 75 4.584 10.796 4.774 1.00 0.00 H new ATOM 0 HA LYS A 75 6.787 12.047 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.999 9.308 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.113 9.402 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.584 10.904 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.507 10.615 5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.910 8.095 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.219 8.589 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.365 8.337 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.984 10.047 6.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.709 9.749 8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.870 8.446 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.345 8.178 8.188 1.00 0.00 H new ATOM 1240 N TYR A 76 4.295 10.694 1.782 1.00 0.00 N ATOM 1241 CA TYR A 76 3.697 10.496 0.467 1.00 0.00 C ATOM 1242 C TYR A 76 3.496 11.830 -0.247 1.00 0.00 C ATOM 1243 O TYR A 76 3.827 12.888 0.288 1.00 0.00 O ATOM 1244 CB TYR A 76 2.358 9.768 0.597 1.00 0.00 C ATOM 1245 CG TYR A 76 1.525 10.238 1.768 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.568 11.560 2.192 1.00 0.00 C ATOM 1247 CD2 TYR A 76 0.693 9.358 2.450 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.810 11.992 3.262 1.00 0.00 C ATOM 1249 CE2 TYR A 76 -0.071 9.782 3.521 1.00 0.00 C ATOM 1250 CZ TYR A 76 -0.008 11.100 3.923 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.767 11.527 4.989 1.00 0.00 O ATOM 0 H TYR A 76 3.661 10.527 2.563 1.00 0.00 H new ATOM 0 HA TYR A 76 4.379 9.886 -0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.788 9.906 -0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.544 8.699 0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.206 12.262 1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.643 8.325 2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.857 13.023 3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.713 9.086 4.040 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.359 11.220 5.825 1.00 0.00 H new ATOM 1261 N GLN A 77 2.952 11.770 -1.458 1.00 0.00 N ATOM 1262 CA GLN A 77 2.707 12.972 -2.245 1.00 0.00 C ATOM 1263 C GLN A 77 1.280 12.990 -2.781 1.00 0.00 C ATOM 1264 O GLN A 77 0.681 14.054 -2.944 1.00 0.00 O ATOM 1265 CB GLN A 77 3.701 13.059 -3.405 1.00 0.00 C ATOM 1266 CG GLN A 77 5.026 13.700 -3.024 1.00 0.00 C ATOM 1267 CD GLN A 77 6.032 13.678 -4.158 1.00 0.00 C ATOM 1268 OE1 GLN A 77 5.816 13.031 -5.183 1.00 0.00 O ATOM 1269 NE2 GLN A 77 7.140 14.388 -3.980 1.00 0.00 N ATOM 0 H GLN A 77 2.673 10.902 -1.915 1.00 0.00 H new ATOM 0 HA GLN A 77 2.842 13.836 -1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.889 12.056 -3.788 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.250 13.630 -4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.852 14.732 -2.718 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.443 13.178 -2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.278 14.910 -3.114 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.853 14.412 -4.709 1.00 0.00 H new ATOM 1278 N ASP A 78 0.740 11.807 -3.054 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.618 11.687 -3.572 1.00 0.00 C ATOM 1280 C ASP A 78 -1.091 10.238 -3.523 1.00 0.00 C ATOM 1281 O ASP A 78 -0.324 9.335 -3.188 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.688 12.212 -5.006 1.00 0.00 C ATOM 1283 CG ASP A 78 0.429 11.671 -5.877 1.00 0.00 C ATOM 1284 OD1 ASP A 78 0.811 10.497 -5.688 1.00 0.00 O ATOM 1285 OD2 ASP A 78 0.921 12.421 -6.746 1.00 0.00 O ATOM 0 H ASP A 78 1.222 10.917 -2.925 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.276 12.286 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.649 11.940 -5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.640 13.301 -4.994 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.359 10.024 -3.860 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.934 8.684 -3.854 1.00 0.00 C ATOM 1292 C ILE A 79 -2.029 7.694 -4.579 1.00 0.00 C ATOM 1293 O ILE A 79 -1.797 6.584 -4.101 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.326 8.667 -4.513 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.321 9.474 -3.677 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.812 7.236 -4.688 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.654 8.832 -2.348 1.00 0.00 C ATOM 0 H ILE A 79 -3.007 10.760 -4.140 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.031 8.386 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.250 9.128 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.911 10.468 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.240 9.606 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.797 7.241 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.113 6.689 -5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.875 6.751 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.365 9.459 -1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.094 7.849 -2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.744 8.725 -1.758 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.517 8.105 -5.734 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.634 7.256 -6.525 1.00 0.00 C ATOM 1311 C ASP A 80 0.502 6.706 -5.667 1.00 0.00 C ATOM 1312 O ASP A 80 1.018 5.619 -5.925 1.00 0.00 O ATOM 1313 CB ASP A 80 -0.063 8.038 -7.708 1.00 0.00 C ATOM 1314 CG ASP A 80 -1.135 8.780 -8.483 1.00 0.00 C ATOM 1315 OD1 ASP A 80 -2.096 8.127 -8.938 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -1.011 10.014 -8.634 1.00 0.00 O ATOM 0 H ASP A 80 -1.698 9.021 -6.143 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.219 6.418 -6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.678 8.750 -7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.456 7.352 -8.377 1.00 0.00 H new ATOM 1321 N SER A 81 0.887 7.466 -4.647 1.00 0.00 N ATOM 1322 CA SER A 81 1.965 7.058 -3.754 1.00 0.00 C ATOM 1323 C SER A 81 1.683 5.683 -3.155 1.00 0.00 C ATOM 1324 O SER A 81 2.466 4.748 -3.324 1.00 0.00 O ATOM 1325 CB SER A 81 2.147 8.086 -2.636 1.00 0.00 C ATOM 1326 OG SER A 81 2.466 9.362 -3.164 1.00 0.00 O ATOM 0 H SER A 81 0.468 8.368 -4.418 1.00 0.00 H new ATOM 0 HA SER A 81 2.884 7.000 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.233 8.151 -2.045 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.939 7.759 -1.962 1.00 0.00 H new ATOM 0 HG SER A 81 3.432 9.514 -3.093 1.00 0.00 H new ATOM 1332 N MET A 82 0.560 5.569 -2.454 1.00 0.00 N ATOM 1333 CA MET A 82 0.173 4.309 -1.830 1.00 0.00 C ATOM 1334 C MET A 82 -0.067 3.232 -2.883 1.00 0.00 C ATOM 1335 O MET A 82 0.345 2.084 -2.716 1.00 0.00 O ATOM 1336 CB MET A 82 -1.087 4.500 -0.983 1.00 0.00 C ATOM 1337 CG MET A 82 -0.797 4.890 0.457 1.00 0.00 C ATOM 1338 SD MET A 82 -2.116 5.880 1.187 1.00 0.00 S ATOM 1339 CE MET A 82 -3.532 4.822 0.899 1.00 0.00 C ATOM 0 H MET A 82 -0.098 6.334 -2.304 1.00 0.00 H new ATOM 0 HA MET A 82 0.990 3.986 -1.185 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.710 5.269 -1.441 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.664 3.575 -0.991 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.653 3.988 1.052 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.137 5.450 0.497 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.176 5.274 0.145 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.193 3.847 0.550 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.090 4.701 1.827 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.735 3.610 -3.969 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.029 2.677 -5.050 1.00 0.00 C ATOM 1351 C VAL A 83 0.247 2.034 -5.582 1.00 0.00 C ATOM 1352 O VAL A 83 0.401 0.813 -5.543 1.00 0.00 O ATOM 1353 CB VAL A 83 -1.761 3.375 -6.210 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.067 2.384 -7.323 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.036 4.040 -5.712 1.00 0.00 C ATOM 0 H VAL A 83 -1.083 4.556 -4.123 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.676 1.905 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.108 4.149 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.585 2.896 -8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.136 1.959 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.700 1.586 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.541 4.529 -6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.695 3.286 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.787 4.782 -4.953 1.00 0.00 H new ATOM 1365 N GLU A 84 1.159 2.864 -6.079 1.00 0.00 N ATOM 1366 CA GLU A 84 2.422 2.374 -6.620 1.00 0.00 C ATOM 1367 C GLU A 84 3.121 1.456 -5.622 1.00 0.00 C ATOM 1368 O GLU A 84 3.972 0.648 -5.996 1.00 0.00 O ATOM 1369 CB GLU A 84 3.337 3.547 -6.978 1.00 0.00 C ATOM 1370 CG GLU A 84 3.966 4.220 -5.770 1.00 0.00 C ATOM 1371 CD GLU A 84 5.252 4.947 -6.111 1.00 0.00 C ATOM 1372 OE1 GLU A 84 6.029 4.424 -6.937 1.00 0.00 O ATOM 1373 OE2 GLU A 84 5.481 6.040 -5.551 1.00 0.00 O ATOM 0 H GLU A 84 1.047 3.877 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 84 2.205 1.803 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.128 3.191 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.764 4.286 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.256 4.927 -5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.169 3.470 -5.006 1.00 0.00 H new ATOM 1380 N ASP A 85 2.757 1.586 -4.351 1.00 0.00 N ATOM 1381 CA ASP A 85 3.349 0.768 -3.299 1.00 0.00 C ATOM 1382 C ASP A 85 2.582 -0.540 -3.132 1.00 0.00 C ATOM 1383 O ASP A 85 3.092 -1.615 -3.450 1.00 0.00 O ATOM 1384 CB ASP A 85 3.366 1.536 -1.976 1.00 0.00 C ATOM 1385 CG ASP A 85 4.577 2.439 -1.847 1.00 0.00 C ATOM 1386 OD1 ASP A 85 5.311 2.595 -2.845 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.791 2.990 -0.747 1.00 0.00 O ATOM 0 H ASP A 85 2.055 2.250 -4.024 1.00 0.00 H new ATOM 0 HA ASP A 85 4.374 0.533 -3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.459 2.135 -1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.355 0.828 -1.148 1.00 0.00 H new ATOM 1392 N PHE A 86 1.356 -0.442 -2.630 1.00 0.00 N ATOM 1393 CA PHE A 86 0.520 -1.617 -2.418 1.00 0.00 C ATOM 1394 C PHE A 86 0.690 -2.618 -3.557 1.00 0.00 C ATOM 1395 O PHE A 86 0.916 -3.806 -3.326 1.00 0.00 O ATOM 1396 CB PHE A 86 -0.950 -1.209 -2.299 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.373 -0.897 -0.892 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -1.538 -1.911 0.037 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.606 0.411 -0.499 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -1.927 -1.627 1.333 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -1.995 0.702 0.795 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.157 -0.319 1.712 1.00 0.00 C ATOM 0 H PHE A 86 0.919 0.440 -2.362 1.00 0.00 H new ATOM 0 HA PHE A 86 0.835 -2.093 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.128 -0.335 -2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.575 -2.013 -2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.361 -2.936 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.482 1.213 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.051 -2.427 2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.172 1.726 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.463 -0.095 2.723 1.00 0.00 H new ATOM 1412 N VAL A 87 0.581 -2.129 -4.788 1.00 0.00 N ATOM 1413 CA VAL A 87 0.723 -2.979 -5.964 1.00 0.00 C ATOM 1414 C VAL A 87 1.988 -3.826 -5.880 1.00 0.00 C ATOM 1415 O VAL A 87 1.987 -5.000 -6.248 1.00 0.00 O ATOM 1416 CB VAL A 87 0.762 -2.145 -7.259 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.327 -2.967 -8.407 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.627 -1.624 -7.597 1.00 0.00 C ATOM 0 H VAL A 87 0.395 -1.148 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.148 -3.633 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 87 1.418 -1.289 -7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.347 -2.361 -9.313 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.340 -3.286 -8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.700 -3.843 -8.570 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.582 -1.037 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.307 -2.464 -7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.989 -0.997 -6.782 1.00 0.00 H new ATOM 1428 N MET A 88 3.067 -3.221 -5.394 1.00 0.00 N ATOM 1429 CA MET A 88 4.340 -3.921 -5.260 1.00 0.00 C ATOM 1430 C MET A 88 4.248 -5.018 -4.204 1.00 0.00 C ATOM 1431 O MET A 88 5.021 -5.975 -4.222 1.00 0.00 O ATOM 1432 CB MET A 88 5.451 -2.936 -4.894 1.00 0.00 C ATOM 1433 CG MET A 88 6.828 -3.575 -4.813 1.00 0.00 C ATOM 1434 SD MET A 88 8.131 -2.378 -4.467 1.00 0.00 S ATOM 1435 CE MET A 88 8.182 -2.442 -2.678 1.00 0.00 C ATOM 0 H MET A 88 3.086 -2.249 -5.087 1.00 0.00 H new ATOM 0 HA MET A 88 4.576 -4.383 -6.219 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.474 -2.136 -5.634 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.216 -2.476 -3.934 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.825 -4.338 -4.034 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.045 -4.081 -5.754 1.00 0.00 H new ATOM 0 HE1 MET A 88 7.774 -1.518 -2.269 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.590 -3.287 -2.327 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.214 -2.560 -2.347 1.00 0.00 H new ATOM 1445 N MET A 89 3.300 -4.871 -3.285 1.00 0.00 N ATOM 1446 CA MET A 89 3.108 -5.850 -2.222 1.00 0.00 C ATOM 1447 C MET A 89 2.549 -7.155 -2.779 1.00 0.00 C ATOM 1448 O MET A 89 3.208 -8.194 -2.734 1.00 0.00 O ATOM 1449 CB MET A 89 2.167 -5.295 -1.151 1.00 0.00 C ATOM 1450 CG MET A 89 1.993 -6.219 0.044 1.00 0.00 C ATOM 1451 SD MET A 89 1.337 -5.367 1.491 1.00 0.00 S ATOM 1452 CE MET A 89 -0.398 -5.254 1.060 1.00 0.00 C ATOM 0 H MET A 89 2.653 -4.083 -3.255 1.00 0.00 H new ATOM 0 HA MET A 89 4.079 -6.054 -1.771 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.550 -4.335 -0.805 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.191 -5.106 -1.599 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.323 -7.035 -0.227 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.955 -6.666 0.296 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.892 -4.544 1.723 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.495 -4.915 0.029 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.864 -6.234 1.165 1.00 0.00 H new ATOM 1462 N PHE A 90 1.330 -7.095 -3.305 1.00 0.00 N ATOM 1463 CA PHE A 90 0.682 -8.273 -3.870 1.00 0.00 C ATOM 1464 C PHE A 90 1.613 -8.993 -4.841 1.00 0.00 C ATOM 1465 O PHE A 90 1.694 -10.220 -4.845 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.611 -7.876 -4.585 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.571 -7.119 -3.712 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.979 -7.639 -2.494 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -2.064 -5.886 -4.109 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.862 -6.944 -1.690 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -2.947 -5.187 -3.308 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.346 -5.716 -2.096 1.00 0.00 C ATOM 0 H PHE A 90 0.771 -6.243 -3.352 1.00 0.00 H new ATOM 0 HA PHE A 90 0.443 -8.953 -3.052 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.364 -7.266 -5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.102 -8.775 -4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.603 -8.598 -2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.755 -5.467 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.174 -7.361 -0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.325 -4.228 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.035 -5.171 -1.468 1.00 0.00 H new ATOM 1482 N ASN A 91 2.314 -8.218 -5.664 1.00 0.00 N ATOM 1483 CA ASN A 91 3.239 -8.781 -6.641 1.00 0.00 C ATOM 1484 C ASN A 91 4.266 -9.681 -5.962 1.00 0.00 C ATOM 1485 O ASN A 91 4.530 -10.793 -6.419 1.00 0.00 O ATOM 1486 CB ASN A 91 3.950 -7.661 -7.404 1.00 0.00 C ATOM 1487 CG ASN A 91 3.056 -7.008 -8.439 1.00 0.00 C ATOM 1488 OD1 ASN A 91 3.126 -5.685 -8.532 1.00 0.00 O flip ATOM 1489 ND2 ASN A 91 2.310 -7.685 -9.148 1.00 0.00 N flip ATOM 0 H ASN A 91 2.259 -7.200 -5.673 1.00 0.00 H new ATOM 0 HA ASN A 91 2.664 -9.383 -7.345 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.295 -6.906 -6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.835 -8.065 -7.896 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.288 -8.699 -9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.714 -7.231 -9.840 1.00 0.00 H new ATOM 1496 N ASN A 92 4.841 -9.193 -4.868 1.00 0.00 N ATOM 1497 CA ASN A 92 5.840 -9.954 -4.125 1.00 0.00 C ATOM 1498 C ASN A 92 5.240 -11.244 -3.572 1.00 0.00 C ATOM 1499 O ASN A 92 5.928 -12.257 -3.451 1.00 0.00 O ATOM 1500 CB ASN A 92 6.407 -9.111 -2.981 1.00 0.00 C ATOM 1501 CG ASN A 92 7.790 -9.566 -2.558 1.00 0.00 C ATOM 1502 OD1 ASN A 92 8.708 -9.641 -3.374 1.00 0.00 O ATOM 1503 ND2 ASN A 92 7.944 -9.874 -1.275 1.00 0.00 N ATOM 0 H ASN A 92 4.633 -8.275 -4.476 1.00 0.00 H new ATOM 0 HA ASN A 92 6.647 -10.213 -4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.450 -8.066 -3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.733 -9.163 -2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.852 -10.188 -0.931 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.155 -9.797 -0.634 1.00 0.00 H new ATOM 1510 N ALA A 93 3.955 -11.197 -3.239 1.00 0.00 N ATOM 1511 CA ALA A 93 3.262 -12.362 -2.701 1.00 0.00 C ATOM 1512 C ALA A 93 3.143 -13.462 -3.750 1.00 0.00 C ATOM 1513 O ALA A 93 3.697 -14.550 -3.588 1.00 0.00 O ATOM 1514 CB ALA A 93 1.885 -11.967 -2.189 1.00 0.00 C ATOM 0 H ALA A 93 3.372 -10.365 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 93 3.849 -12.751 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.379 -12.846 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.990 -11.221 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.298 -11.551 -3.008 1.00 0.00 H new ATOM 1520 N CYS A 94 2.418 -13.172 -4.825 1.00 0.00 N ATOM 1521 CA CYS A 94 2.225 -14.138 -5.900 1.00 0.00 C ATOM 1522 C CYS A 94 3.566 -14.618 -6.448 1.00 0.00 C ATOM 1523 O CYS A 94 3.709 -15.774 -6.848 1.00 0.00 O ATOM 1524 CB CYS A 94 1.392 -13.522 -7.025 1.00 0.00 C ATOM 1525 SG CYS A 94 2.213 -12.163 -7.891 1.00 0.00 S ATOM 0 H CYS A 94 1.954 -12.276 -4.975 1.00 0.00 H new ATOM 0 HA CYS A 94 1.692 -14.996 -5.491 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.143 -14.300 -7.746 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.452 -13.159 -6.610 1.00 0.00 H new ATOM 0 HG CYS A 94 3.137 -11.658 -7.129 1.00 0.00 H new ATOM 1531 N THR A 95 4.547 -13.721 -6.464 1.00 0.00 N ATOM 1532 CA THR A 95 5.875 -14.050 -6.965 1.00 0.00 C ATOM 1533 C THR A 95 6.586 -15.029 -6.037 1.00 0.00 C ATOM 1534 O THR A 95 7.005 -16.107 -6.459 1.00 0.00 O ATOM 1535 CB THR A 95 6.745 -12.789 -7.125 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.160 -11.910 -8.093 1.00 0.00 O ATOM 1537 CG2 THR A 95 8.157 -13.156 -7.554 1.00 0.00 C ATOM 0 H THR A 95 4.446 -12.761 -6.135 1.00 0.00 H new ATOM 0 HA THR A 95 5.737 -14.513 -7.942 1.00 0.00 H new ATOM 0 HB THR A 95 6.795 -12.285 -6.160 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.711 -11.170 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.752 -12.249 -7.660 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.610 -13.801 -6.801 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.122 -13.681 -8.508 1.00 0.00 H new ATOM 1545 N TYR A 96 6.717 -14.648 -4.772 1.00 0.00 N ATOM 1546 CA TYR A 96 7.378 -15.492 -3.784 1.00 0.00 C ATOM 1547 C TYR A 96 6.709 -16.860 -3.700 1.00 0.00 C ATOM 1548 O TYR A 96 7.377 -17.893 -3.732 1.00 0.00 O ATOM 1549 CB TYR A 96 7.358 -14.817 -2.411 1.00 0.00 C ATOM 1550 CG TYR A 96 7.984 -15.652 -1.317 1.00 0.00 C ATOM 1551 CD1 TYR A 96 9.355 -15.877 -1.285 1.00 0.00 C ATOM 1552 CD2 TYR A 96 7.205 -16.217 -0.314 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.931 -16.640 -0.288 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.772 -16.980 0.688 1.00 0.00 C ATOM 1555 CZ TYR A 96 9.136 -17.189 0.696 1.00 0.00 C ATOM 1556 OH TYR A 96 9.706 -17.948 1.692 1.00 0.00 O ATOM 0 H TYR A 96 6.374 -13.760 -4.406 1.00 0.00 H new ATOM 0 HA TYR A 96 8.412 -15.633 -4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.884 -13.865 -2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.326 -14.593 -2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.981 -15.448 -2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.137 -16.056 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.998 -16.806 -0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.152 -17.410 1.460 1.00 0.00 H new ATOM 0 HH TYR A 96 10.681 -17.939 1.593 1.00 0.00 H new ATOM 1566 N ASN A 97 5.384 -16.858 -3.595 1.00 0.00 N ATOM 1567 CA ASN A 97 4.622 -18.099 -3.507 1.00 0.00 C ATOM 1568 C ASN A 97 4.197 -18.575 -4.893 1.00 0.00 C ATOM 1569 O ASN A 97 4.546 -17.966 -5.903 1.00 0.00 O ATOM 1570 CB ASN A 97 3.390 -17.903 -2.622 1.00 0.00 C ATOM 1571 CG ASN A 97 3.755 -17.622 -1.177 1.00 0.00 C ATOM 1572 OD1 ASN A 97 4.714 -18.182 -0.647 1.00 0.00 O ATOM 1573 ND2 ASN A 97 2.988 -16.751 -0.532 1.00 0.00 N ATOM 0 H ASN A 97 4.816 -16.011 -3.569 1.00 0.00 H new ATOM 0 HA ASN A 97 5.263 -18.860 -3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.794 -17.077 -3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.766 -18.796 -2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.184 -16.523 0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.203 -16.310 -1.011 1.00 0.00 H new ATOM 1580 N GLU A 98 3.440 -19.667 -4.931 1.00 0.00 N ATOM 1581 CA GLU A 98 2.967 -20.224 -6.192 1.00 0.00 C ATOM 1582 C GLU A 98 1.746 -19.462 -6.701 1.00 0.00 C ATOM 1583 O GLU A 98 0.974 -18.892 -5.930 1.00 0.00 O ATOM 1584 CB GLU A 98 2.623 -21.706 -6.024 1.00 0.00 C ATOM 1585 CG GLU A 98 3.815 -22.568 -5.645 1.00 0.00 C ATOM 1586 CD GLU A 98 3.655 -24.011 -6.084 1.00 0.00 C ATOM 1587 OE1 GLU A 98 2.686 -24.661 -5.638 1.00 0.00 O ATOM 1588 OE2 GLU A 98 4.496 -24.489 -6.873 1.00 0.00 O ATOM 0 H GLU A 98 3.142 -20.183 -4.103 1.00 0.00 H new ATOM 0 HA GLU A 98 3.767 -20.125 -6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.854 -21.807 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.197 -22.079 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.717 -22.153 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.954 -22.534 -4.564 1.00 0.00 H new ATOM 1595 N PRO A 99 1.568 -19.450 -8.030 1.00 0.00 N ATOM 1596 CA PRO A 99 0.444 -18.762 -8.672 1.00 0.00 C ATOM 1597 C PRO A 99 -0.889 -19.451 -8.400 1.00 0.00 C ATOM 1598 O PRO A 99 -1.938 -18.995 -8.855 1.00 0.00 O ATOM 1599 CB PRO A 99 0.788 -18.833 -10.161 1.00 0.00 C ATOM 1600 CG PRO A 99 1.667 -20.029 -10.291 1.00 0.00 C ATOM 1601 CD PRO A 99 2.449 -20.109 -9.009 1.00 0.00 C ATOM 0 HA PRO A 99 0.321 -17.746 -8.297 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -0.110 -18.934 -10.770 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.298 -17.929 -10.493 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.077 -20.932 -10.445 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.333 -19.933 -11.149 1.00 0.00 H new ATOM 0 HD2 PRO A 99 2.658 -21.142 -8.730 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.409 -19.600 -9.092 1.00 0.00 H new ATOM 1609 N GLU A 100 -0.841 -20.551 -7.655 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.046 -21.302 -7.324 1.00 0.00 C ATOM 1611 C GLU A 100 -2.151 -21.526 -5.818 1.00 0.00 C ATOM 1612 O GLU A 100 -2.565 -22.593 -5.365 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.051 -22.648 -8.052 1.00 0.00 C ATOM 1614 CG GLU A 100 -0.837 -23.510 -7.747 1.00 0.00 C ATOM 1615 CD GLU A 100 -0.853 -24.827 -8.498 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -0.556 -24.822 -9.711 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -1.163 -25.862 -7.873 1.00 0.00 O ATOM 0 H GLU A 100 0.019 -20.941 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.907 -20.718 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.953 -23.196 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.099 -22.470 -9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.068 -22.960 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.796 -23.707 -6.676 1.00 0.00 H new ATOM 1624 N SER A 101 -1.772 -20.511 -5.047 1.00 0.00 N ATOM 1625 CA SER A 101 -1.819 -20.598 -3.592 1.00 0.00 C ATOM 1626 C SER A 101 -3.067 -19.910 -3.047 1.00 0.00 C ATOM 1627 O SER A 101 -3.652 -19.047 -3.703 1.00 0.00 O ATOM 1628 CB SER A 101 -0.566 -19.965 -2.982 1.00 0.00 C ATOM 1629 OG SER A 101 0.466 -20.923 -2.828 1.00 0.00 O ATOM 0 H SER A 101 -1.429 -19.620 -5.406 1.00 0.00 H new ATOM 0 HA SER A 101 -1.856 -21.652 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.219 -19.151 -3.619 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.810 -19.530 -2.013 1.00 0.00 H new ATOM 0 HG SER A 101 1.256 -20.493 -2.438 1.00 0.00 H new ATOM 1635 N LEU A 102 -3.470 -20.298 -1.842 1.00 0.00 N ATOM 1636 CA LEU A 102 -4.649 -19.720 -1.207 1.00 0.00 C ATOM 1637 C LEU A 102 -4.479 -18.218 -1.007 1.00 0.00 C ATOM 1638 O LEU A 102 -5.442 -17.456 -1.099 1.00 0.00 O ATOM 1639 CB LEU A 102 -4.911 -20.398 0.139 1.00 0.00 C ATOM 1640 CG LEU A 102 -4.054 -19.918 1.311 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -4.632 -18.644 1.908 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -3.944 -21.004 2.371 1.00 0.00 C ATOM 0 H LEU A 102 -2.998 -21.010 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.503 -19.886 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.960 -20.252 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.758 -21.471 0.019 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.053 -19.699 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.009 -18.317 2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.658 -17.865 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.644 -18.836 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.331 -20.645 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.939 -21.255 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.484 -21.891 1.936 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.247 -17.798 -0.737 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.951 -16.386 -0.528 1.00 0.00 C ATOM 1656 C ILE A 103 -2.907 -15.632 -1.853 1.00 0.00 C ATOM 1657 O ILE A 103 -3.028 -14.407 -1.886 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.609 -16.194 0.203 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -1.339 -14.707 0.439 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.476 -16.824 -0.595 1.00 0.00 C ATOM 1661 CD1 ILE A 103 -0.023 -14.434 1.133 1.00 0.00 C ATOM 0 H ILE A 103 -2.439 -18.415 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.753 -15.984 0.091 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.666 -16.691 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.350 -14.188 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.149 -14.289 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.466 -16.680 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.665 -17.891 -0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.416 -16.353 -1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.102 -13.359 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.016 -14.924 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.796 -14.821 0.526 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.735 -16.372 -2.943 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.674 -15.773 -4.271 1.00 0.00 C ATOM 1675 C TYR A 104 -3.994 -15.094 -4.623 1.00 0.00 C ATOM 1676 O TYR A 104 -4.013 -13.974 -5.135 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.341 -16.837 -5.318 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.244 -16.292 -6.725 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -3.387 -16.025 -7.468 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -1.008 -16.045 -7.311 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -3.303 -15.528 -8.754 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -0.915 -15.546 -8.597 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.064 -15.290 -9.314 1.00 0.00 C ATOM 1684 OH TYR A 104 -1.976 -14.794 -10.594 1.00 0.00 O ATOM 0 H TYR A 104 -2.635 -17.387 -2.933 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.887 -15.018 -4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.395 -17.310 -5.055 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.105 -17.614 -5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.358 -16.209 -7.033 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.106 -16.246 -6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.202 -15.327 -9.318 1.00 0.00 H new ATOM 0 HE2 TYR A 104 0.053 -15.358 -9.037 1.00 0.00 H new ATOM 0 HH TYR A 104 -1.033 -14.682 -10.837 1.00 0.00 H new ATOM 1694 N LYS A 105 -5.098 -15.779 -4.343 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.424 -15.243 -4.627 1.00 0.00 C ATOM 1696 C LYS A 105 -6.694 -13.992 -3.798 1.00 0.00 C ATOM 1697 O LYS A 105 -6.900 -12.907 -4.342 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.494 -16.299 -4.341 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.457 -17.478 -5.298 1.00 0.00 C ATOM 1700 CD LYS A 105 -8.452 -18.554 -4.897 1.00 0.00 C ATOM 1701 CE LYS A 105 -9.864 -18.202 -5.339 1.00 0.00 C ATOM 1702 NZ LYS A 105 -10.701 -19.417 -5.540 1.00 0.00 N ATOM 0 H LYS A 105 -5.100 -16.707 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.462 -14.972 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.368 -16.665 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.477 -15.831 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.679 -17.135 -6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.452 -17.900 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.158 -19.506 -5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.431 -18.685 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.329 -17.560 -4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.823 -17.632 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.656 -19.135 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.271 -20.018 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.762 -19.948 -4.648 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.691 -14.150 -2.479 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.934 -13.033 -1.574 1.00 0.00 C ATOM 1718 C ASP A 106 -6.269 -11.761 -2.091 1.00 0.00 C ATOM 1719 O ASP A 106 -6.912 -10.719 -2.214 1.00 0.00 O ATOM 1720 CB ASP A 106 -6.416 -13.361 -0.173 1.00 0.00 C ATOM 1721 CG ASP A 106 -4.978 -12.923 0.029 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -4.726 -11.700 0.039 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -4.106 -13.804 0.179 1.00 0.00 O ATOM 0 H ASP A 106 -6.523 -15.041 -2.013 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.010 -12.865 -1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.049 -12.874 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.493 -14.435 -0.002 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.978 -11.854 -2.391 1.00 0.00 N ATOM 1729 CA ALA A 107 -4.226 -10.712 -2.895 1.00 0.00 C ATOM 1730 C ALA A 107 -5.019 -9.959 -3.958 1.00 0.00 C ATOM 1731 O ALA A 107 -5.222 -8.748 -3.855 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.887 -11.167 -3.457 1.00 0.00 C ATOM 0 H ALA A 107 -4.431 -12.709 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.046 -10.032 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.336 -10.303 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.309 -11.654 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.055 -11.870 -4.273 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.465 -10.682 -4.979 1.00 0.00 N ATOM 1739 CA LEU A 108 -6.236 -10.081 -6.063 1.00 0.00 C ATOM 1740 C LEU A 108 -7.442 -9.323 -5.517 1.00 0.00 C ATOM 1741 O LEU A 108 -7.648 -8.152 -5.835 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.699 -11.160 -7.044 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.604 -11.811 -7.890 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -6.180 -12.941 -8.730 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -4.928 -10.776 -8.777 1.00 0.00 C ATOM 0 H LEU A 108 -5.307 -11.685 -5.080 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.592 -9.374 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.208 -11.942 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.436 -10.720 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.854 -12.230 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.387 -13.393 -9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.616 -13.695 -8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.950 -12.546 -9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.152 -11.258 -9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.667 -10.327 -9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.480 -10.001 -8.155 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.236 -9.999 -4.693 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.420 -9.388 -4.100 1.00 0.00 C ATOM 1759 C VAL A 109 -9.134 -7.962 -3.646 1.00 0.00 C ATOM 1760 O VAL A 109 -9.732 -7.007 -4.144 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.931 -10.205 -2.898 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.186 -9.572 -2.317 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.192 -11.647 -3.307 1.00 0.00 C ATOM 0 H VAL A 109 -8.081 -10.970 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.189 -9.373 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.161 -10.204 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.532 -10.163 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.962 -8.558 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.964 -9.541 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.552 -12.210 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.943 -11.671 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.268 -12.095 -3.672 1.00 0.00 H new ATOM 1773 N LEU A 110 -8.214 -7.822 -2.697 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.847 -6.511 -2.175 1.00 0.00 C ATOM 1775 C LEU A 110 -7.501 -5.550 -3.308 1.00 0.00 C ATOM 1776 O LEU A 110 -8.043 -4.447 -3.389 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.661 -6.635 -1.217 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.827 -7.630 -0.068 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.484 -7.928 0.580 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.812 -7.095 0.962 1.00 0.00 C ATOM 0 H LEU A 110 -7.709 -8.601 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.704 -6.111 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.782 -6.921 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.458 -5.652 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.225 -8.560 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.623 -8.638 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.809 -8.355 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.056 -7.005 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.918 -7.816 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.443 -6.151 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.781 -6.935 0.490 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.597 -5.978 -4.184 1.00 0.00 N ATOM 1793 CA HIS A 111 -6.181 -5.157 -5.315 1.00 0.00 C ATOM 1794 C HIS A 111 -7.348 -4.328 -5.844 1.00 0.00 C ATOM 1795 O HIS A 111 -7.305 -3.098 -5.834 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.618 -6.037 -6.432 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.760 -5.291 -7.407 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.849 -5.912 -8.236 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.680 -3.969 -7.686 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.245 -5.003 -8.981 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.731 -3.816 -8.667 1.00 0.00 N ATOM 0 H HIS A 111 -6.139 -6.888 -4.132 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.402 -4.477 -4.971 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -5.033 -6.843 -5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.445 -6.501 -6.969 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.255 -3.181 -7.223 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.483 -5.198 -9.721 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.448 -2.930 -9.085 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.390 -5.011 -6.306 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.570 -4.340 -6.839 1.00 0.00 C ATOM 1812 C LYS A 112 -10.040 -3.237 -5.896 1.00 0.00 C ATOM 1813 O LYS A 112 -10.367 -2.132 -6.331 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.698 -5.349 -7.064 1.00 0.00 C ATOM 1815 CG LYS A 112 -11.849 -4.801 -7.890 1.00 0.00 C ATOM 1816 CD LYS A 112 -11.449 -4.608 -9.343 1.00 0.00 C ATOM 1817 CE LYS A 112 -11.355 -5.937 -10.077 1.00 0.00 C ATOM 1818 NZ LYS A 112 -11.400 -5.759 -11.555 1.00 0.00 N ATOM 0 H LYS A 112 -8.441 -6.030 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.301 -3.888 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.292 -6.230 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.080 -5.676 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.697 -5.484 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.177 -3.849 -7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.178 -3.968 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.488 -4.095 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.429 -6.440 -9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.175 -6.584 -9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.333 -6.688 -12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -12.295 -5.302 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.603 -5.163 -11.857 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.071 -3.543 -4.603 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.499 -2.577 -3.599 1.00 0.00 C ATOM 1834 C VAL A 113 -9.659 -1.307 -3.665 1.00 0.00 C ATOM 1835 O VAL A 113 -10.185 -0.210 -3.857 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.408 -3.166 -2.179 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -10.904 -2.160 -1.150 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.197 -4.464 -2.089 1.00 0.00 C ATOM 0 H VAL A 113 -9.805 -4.453 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.539 -2.333 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.363 -3.386 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.832 -2.594 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.293 -1.259 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.943 -1.906 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.122 -4.866 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.243 -4.271 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.792 -5.186 -2.798 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.349 -1.462 -3.506 1.00 0.00 N ATOM 1849 CA LEU A 114 -7.433 -0.327 -3.548 1.00 0.00 C ATOM 1850 C LEU A 114 -7.654 0.504 -4.808 1.00 0.00 C ATOM 1851 O LEU A 114 -7.578 1.733 -4.776 1.00 0.00 O ATOM 1852 CB LEU A 114 -5.984 -0.813 -3.491 1.00 0.00 C ATOM 1853 CG LEU A 114 -4.909 0.258 -3.679 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -4.978 1.286 -2.560 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -3.528 -0.378 -3.737 1.00 0.00 C ATOM 0 H LEU A 114 -7.897 -2.363 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.633 0.302 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.822 -1.297 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.847 -1.575 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.093 0.768 -4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.206 2.040 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.958 1.764 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.820 0.792 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.775 0.399 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.335 -0.914 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.483 -1.075 -4.574 1.00 0.00 H new ATOM 1867 N LEU A 115 -7.929 -0.174 -5.917 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.164 0.501 -7.188 1.00 0.00 C ATOM 1869 C LEU A 115 -9.431 1.347 -7.130 1.00 0.00 C ATOM 1870 O LEU A 115 -9.531 2.379 -7.793 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.271 -0.522 -8.320 1.00 0.00 C ATOM 1872 CG LEU A 115 -6.972 -1.227 -8.713 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.255 -2.366 -9.680 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -5.992 -0.237 -9.324 1.00 0.00 C ATOM 0 H LEU A 115 -7.995 -1.191 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.318 1.161 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.999 -1.280 -8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.669 -0.019 -9.201 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.521 -1.645 -7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.319 -2.856 -9.949 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.920 -3.088 -9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.729 -1.971 -10.579 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.073 -0.756 -9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.434 0.211 -10.214 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.765 0.545 -8.599 1.00 0.00 H new ATOM 1886 N GLU A 116 -10.397 0.903 -6.331 1.00 0.00 N ATOM 1887 CA GLU A 116 -11.658 1.621 -6.186 1.00 0.00 C ATOM 1888 C GLU A 116 -11.489 2.842 -5.287 1.00 0.00 C ATOM 1889 O GLU A 116 -11.724 3.975 -5.707 1.00 0.00 O ATOM 1890 CB GLU A 116 -12.734 0.696 -5.612 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.169 -0.400 -6.571 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.215 -1.319 -5.970 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -13.926 -1.944 -4.928 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -15.321 -1.413 -6.541 1.00 0.00 O ATOM 0 H GLU A 116 -10.330 0.050 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.969 1.960 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.358 0.238 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -13.604 1.292 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -13.567 0.053 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.299 -0.988 -6.864 1.00 0.00 H new ATOM 1901 N THR A 117 -11.079 2.603 -4.045 1.00 0.00 N ATOM 1902 CA THR A 117 -10.879 3.681 -3.085 1.00 0.00 C ATOM 1903 C THR A 117 -10.286 4.913 -3.758 1.00 0.00 C ATOM 1904 O THR A 117 -10.565 6.044 -3.359 1.00 0.00 O ATOM 1905 CB THR A 117 -9.954 3.244 -1.933 1.00 0.00 C ATOM 1906 OG1 THR A 117 -8.734 2.712 -2.461 1.00 0.00 O ATOM 1907 CG2 THR A 117 -10.633 2.199 -1.061 1.00 0.00 C ATOM 0 H THR A 117 -10.879 1.672 -3.681 1.00 0.00 H new ATOM 0 HA THR A 117 -11.860 3.928 -2.679 1.00 0.00 H new ATOM 0 HB THR A 117 -9.734 4.118 -1.320 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.805 2.635 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 117 -9.961 1.906 -0.255 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.547 2.616 -0.638 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.878 1.325 -1.665 1.00 0.00 H new ATOM 1915 N ARG A 118 -9.468 4.688 -4.780 1.00 0.00 N ATOM 1916 CA ARG A 118 -8.836 5.781 -5.508 1.00 0.00 C ATOM 1917 C ARG A 118 -9.789 6.964 -5.649 1.00 0.00 C ATOM 1918 O ARG A 118 -9.431 8.102 -5.345 1.00 0.00 O ATOM 1919 CB ARG A 118 -8.386 5.308 -6.892 1.00 0.00 C ATOM 1920 CG ARG A 118 -7.251 4.297 -6.851 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.529 4.216 -8.187 1.00 0.00 C ATOM 1922 NE ARG A 118 -7.129 3.221 -9.073 1.00 0.00 N ATOM 1923 CZ ARG A 118 -8.193 3.459 -9.831 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -8.772 4.652 -9.812 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -8.680 2.503 -10.612 1.00 0.00 N ATOM 0 H ARG A 118 -9.227 3.758 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 118 -7.964 6.105 -4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.237 4.865 -7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.071 6.172 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.543 4.574 -6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.646 3.315 -6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -6.551 5.193 -8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -5.481 3.967 -8.019 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.708 2.293 -9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.400 5.390 -9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -9.589 4.832 -10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -8.237 1.584 -10.630 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -9.497 2.687 -11.194 1.00 0.00 H new ATOM 1939 N ARG A 119 -11.004 6.687 -6.111 1.00 0.00 N ATOM 1940 CA ARG A 119 -12.008 7.728 -6.293 1.00 0.00 C ATOM 1941 C ARG A 119 -13.414 7.165 -6.112 1.00 0.00 C ATOM 1942 O ARG A 119 -13.636 5.962 -6.257 1.00 0.00 O ATOM 1943 CB ARG A 119 -11.874 8.358 -7.680 1.00 0.00 C ATOM 1944 CG ARG A 119 -11.945 7.350 -8.816 1.00 0.00 C ATOM 1945 CD ARG A 119 -11.159 7.823 -10.029 1.00 0.00 C ATOM 1946 NE ARG A 119 -11.980 8.620 -10.937 1.00 0.00 N ATOM 1947 CZ ARG A 119 -11.479 9.409 -11.880 1.00 0.00 C ATOM 1948 NH1 ARG A 119 -10.166 9.506 -12.039 1.00 0.00 N ATOM 1949 NH2 ARG A 119 -12.291 10.103 -12.667 1.00 0.00 N ATOM 0 H ARG A 119 -11.317 5.750 -6.366 1.00 0.00 H new ATOM 0 HA ARG A 119 -11.842 8.494 -5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -12.664 9.098 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -10.925 8.891 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -11.553 6.391 -8.478 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -12.986 7.188 -9.096 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.305 8.414 -9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.762 6.960 -10.563 1.00 0.00 H new ATOM 0 HE ARG A 119 -12.994 8.567 -10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -9.539 8.974 -11.436 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -9.784 10.113 -12.764 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.301 10.031 -12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -11.905 10.709 -13.391 1.00 0.00 H new ATOM 1963 N ASP A 120 -14.361 8.041 -5.793 1.00 0.00 N ATOM 1964 CA ASP A 120 -15.746 7.632 -5.592 1.00 0.00 C ATOM 1965 C ASP A 120 -16.523 7.684 -6.903 1.00 0.00 C ATOM 1966 O ASP A 120 -17.143 6.699 -7.309 1.00 0.00 O ATOM 1967 CB ASP A 120 -16.418 8.526 -4.549 1.00 0.00 C ATOM 1968 CG ASP A 120 -17.813 8.051 -4.193 1.00 0.00 C ATOM 1969 OD1 ASP A 120 -18.756 8.351 -4.955 1.00 0.00 O ATOM 1970 OD2 ASP A 120 -17.962 7.379 -3.151 1.00 0.00 O ATOM 0 H ASP A 120 -14.194 9.039 -5.668 1.00 0.00 H new ATOM 0 HA ASP A 120 -15.747 6.604 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -15.805 8.552 -3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -16.470 9.546 -4.929 1.00 0.00 H new TER 1975 ASP A 120