USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= 0.325 K(o=1.2,f=-2.1!) USER MOD Set 1.2: A 84 TYR OH : rot -14:sc= 0.924 USER MOD Set 2.1: A 74 THR OG1 : rot -64:sc= 0.898 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.791 USER MOD Set 3.1: A 20 ASN : amide:sc= 0.93 K(o=2.9,f=-2) USER MOD Set 3.2: A 44 LYS NZ :NH3+ -148:sc= 1.96 (180deg=1.34) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.81 K(o=0.81,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.676 K(o=0.68,f=-0.99) USER MOD Single : A 16 THR OG1 : rot 84:sc= 0.31 USER MOD Single : A 17 CYS SG : rot 60:sc= 0.437 USER MOD Single : A 22 SER OG : rot 10:sc= 0.344 USER MOD Single : A 26 ASN : amide:sc= 2.12 K(o=2.1,f=-8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00627 USER MOD Single : A 34 SER OG : rot -48:sc= 0.0987 USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= 0.0554 (180deg=0) USER MOD Single : A 39 MET CE :methyl -149:sc=-0.00766 (180deg=-2.34) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.973 K(o=0.97,f=-0.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.04) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -118:sc= 0.243 (180deg=-0.1) USER MOD Single : A 63 ASN : amide:sc= 0.0932 X(o=0.093,f=-0.11) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -28:sc= 0.0414 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0851) USER MOD Single : A 86 MET CE :methyl -170:sc=-0.00343 (180deg=-0.241) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.989 K(o=0.99,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.128 14.848 -8.679 1.00 0.00 N ATOM 2 CA CYS A 2 -0.649 15.334 -9.962 1.00 0.00 C ATOM 3 C CYS A 2 0.778 14.835 -10.297 1.00 0.00 C ATOM 4 O CYS A 2 1.398 15.279 -11.268 1.00 0.00 O ATOM 5 CB CYS A 2 -0.864 16.876 -10.041 1.00 0.00 C ATOM 6 SG CYS A 2 -0.804 17.834 -8.460 1.00 0.00 S ATOM 0 HA CYS A 2 -1.242 14.900 -10.767 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.108 17.286 -10.711 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.833 17.056 -10.506 1.00 0.00 H new ATOM 11 N GLY A 3 1.306 13.909 -9.486 1.00 0.00 N ATOM 12 CA GLY A 3 2.654 13.326 -9.569 1.00 0.00 C ATOM 13 C GLY A 3 3.726 14.301 -9.077 1.00 0.00 C ATOM 14 O GLY A 3 4.671 13.891 -8.407 1.00 0.00 O ATOM 0 H GLY A 3 0.772 13.523 -8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.692 12.413 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.865 13.044 -10.600 1.00 0.00 H new ATOM 18 N ASP A 4 3.537 15.604 -9.303 1.00 0.00 N ATOM 19 CA ASP A 4 4.370 16.648 -8.702 1.00 0.00 C ATOM 20 C ASP A 4 4.158 16.679 -7.168 1.00 0.00 C ATOM 21 O ASP A 4 5.003 17.214 -6.445 1.00 0.00 O ATOM 22 CB ASP A 4 4.058 18.008 -9.338 1.00 0.00 C ATOM 23 CG ASP A 4 4.717 18.162 -10.719 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.968 18.233 -10.787 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.996 18.245 -11.742 1.00 0.00 O ATOM 0 H ASP A 4 2.800 15.965 -9.909 1.00 0.00 H new ATOM 0 HA ASP A 4 5.420 16.424 -8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.979 18.123 -9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.405 18.804 -8.680 1.00 0.00 H new ATOM 30 N CYS A 5 3.066 16.068 -6.675 1.00 0.00 N ATOM 31 CA CYS A 5 2.745 15.904 -5.261 1.00 0.00 C ATOM 32 C CYS A 5 3.784 15.036 -4.507 1.00 0.00 C ATOM 33 O CYS A 5 3.921 15.161 -3.289 1.00 0.00 O ATOM 34 CB CYS A 5 1.368 15.214 -5.088 1.00 0.00 C ATOM 35 SG CYS A 5 -0.076 16.108 -5.757 1.00 0.00 S ATOM 0 H CYS A 5 2.357 15.660 -7.285 1.00 0.00 H new ATOM 0 HA CYS A 5 2.743 16.911 -4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.414 14.235 -5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.202 15.044 -4.024 1.00 0.00 H new ATOM 40 N VAL A 6 4.490 14.127 -5.199 1.00 0.00 N ATOM 41 CA VAL A 6 5.423 13.158 -4.585 1.00 0.00 C ATOM 42 C VAL A 6 6.890 13.449 -4.965 1.00 0.00 C ATOM 43 O VAL A 6 7.191 13.788 -6.111 1.00 0.00 O ATOM 44 CB VAL A 6 5.020 11.704 -4.929 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.565 11.413 -4.533 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.165 11.286 -6.397 1.00 0.00 C ATOM 0 H VAL A 6 4.431 14.040 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 6 5.350 13.275 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 6 5.739 11.125 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.317 10.383 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.444 11.559 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.900 12.090 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.853 10.248 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.540 11.925 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.206 11.388 -6.703 1.00 0.00 H new ATOM 56 N GLU A 7 7.827 13.310 -4.021 1.00 0.00 N ATOM 57 CA GLU A 7 9.273 13.499 -4.250 1.00 0.00 C ATOM 58 C GLU A 7 9.824 12.440 -5.229 1.00 0.00 C ATOM 59 O GLU A 7 10.628 12.764 -6.109 1.00 0.00 O ATOM 60 CB GLU A 7 10.029 13.512 -2.903 1.00 0.00 C ATOM 61 CG GLU A 7 11.552 13.556 -3.045 1.00 0.00 C ATOM 62 CD GLU A 7 12.241 13.867 -1.702 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.401 15.064 -1.359 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.658 12.918 -0.993 1.00 0.00 O ATOM 0 H GLU A 7 7.603 13.059 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 7 9.433 14.468 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.703 14.376 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.753 12.624 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.910 12.599 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.827 14.313 -3.779 1.00 0.00 H new ATOM 71 N LYS A 8 9.344 11.194 -5.116 1.00 0.00 N ATOM 72 CA LYS A 8 9.643 10.058 -5.998 1.00 0.00 C ATOM 73 C LYS A 8 8.352 9.296 -6.304 1.00 0.00 C ATOM 74 O LYS A 8 7.497 9.145 -5.433 1.00 0.00 O ATOM 75 CB LYS A 8 10.658 9.110 -5.331 1.00 0.00 C ATOM 76 CG LYS A 8 12.065 9.719 -5.220 1.00 0.00 C ATOM 77 CD LYS A 8 13.054 8.721 -4.602 1.00 0.00 C ATOM 78 CE LYS A 8 14.443 9.365 -4.490 1.00 0.00 C ATOM 79 NZ LYS A 8 15.435 8.429 -3.899 1.00 0.00 N ATOM 0 H LYS A 8 8.702 10.938 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 8 10.075 10.436 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.302 8.848 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.713 8.184 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.414 10.017 -6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.026 10.622 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.706 8.413 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.109 7.822 -5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.781 9.677 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.379 10.264 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.361 8.898 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.125 8.151 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.514 7.583 -4.498 1.00 0.00 H new ATOM 93 N GLU A 9 8.230 8.791 -7.529 1.00 0.00 N ATOM 94 CA GLU A 9 7.104 7.955 -7.967 1.00 0.00 C ATOM 95 C GLU A 9 7.338 6.507 -7.506 1.00 0.00 C ATOM 96 O GLU A 9 8.379 5.924 -7.821 1.00 0.00 O ATOM 97 CB GLU A 9 6.999 7.986 -9.505 1.00 0.00 C ATOM 98 CG GLU A 9 6.312 9.244 -10.045 1.00 0.00 C ATOM 99 CD GLU A 9 6.893 9.656 -11.413 1.00 0.00 C ATOM 100 OE1 GLU A 9 7.877 10.435 -11.449 1.00 0.00 O ATOM 101 OE2 GLU A 9 6.373 9.204 -12.463 1.00 0.00 O ATOM 0 H GLU A 9 8.921 8.951 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 9 6.180 8.338 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.000 7.917 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.448 7.108 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.241 9.063 -10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.434 10.061 -9.334 1.00 0.00 H new ATOM 108 N TYR A 10 6.379 5.924 -6.775 1.00 0.00 N ATOM 109 CA TYR A 10 6.440 4.548 -6.246 1.00 0.00 C ATOM 110 C TYR A 10 7.798 4.208 -5.587 1.00 0.00 C ATOM 111 O TYR A 10 8.492 3.280 -6.021 1.00 0.00 O ATOM 112 CB TYR A 10 6.017 3.523 -7.317 1.00 0.00 C ATOM 113 CG TYR A 10 4.654 3.740 -7.957 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.467 4.778 -8.893 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.570 2.900 -7.621 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.202 5.005 -9.461 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.296 3.138 -8.177 1.00 0.00 C ATOM 118 CZ TYR A 10 2.109 4.189 -9.103 1.00 0.00 C ATOM 119 OH TYR A 10 0.883 4.424 -9.645 1.00 0.00 O ATOM 0 H TYR A 10 5.515 6.406 -6.527 1.00 0.00 H new ATOM 0 HA TYR A 10 5.714 4.486 -5.435 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.769 3.522 -8.106 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.029 2.531 -6.865 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.302 5.403 -9.175 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.716 2.076 -6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.067 5.806 -10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.460 2.515 -7.894 1.00 0.00 H new ATOM 0 HH TYR A 10 0.240 3.772 -9.295 1.00 0.00 H new ATOM 129 N PRO A 11 8.201 4.951 -4.537 1.00 0.00 N ATOM 130 CA PRO A 11 9.471 4.735 -3.844 1.00 0.00 C ATOM 131 C PRO A 11 9.517 3.352 -3.184 1.00 0.00 C ATOM 132 O PRO A 11 8.504 2.874 -2.678 1.00 0.00 O ATOM 133 CB PRO A 11 9.531 5.850 -2.793 1.00 0.00 C ATOM 134 CG PRO A 11 8.069 6.166 -2.511 1.00 0.00 C ATOM 135 CD PRO A 11 7.458 6.035 -3.901 1.00 0.00 C ATOM 0 HA PRO A 11 10.320 4.764 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.050 5.522 -1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.064 6.724 -3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.627 5.467 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.938 7.166 -2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.394 5.805 -3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.554 6.963 -4.464 1.00 0.00 H new ATOM 143 N ASN A 12 10.672 2.689 -3.131 1.00 0.00 N ATOM 144 CA ASN A 12 10.762 1.406 -2.429 1.00 0.00 C ATOM 145 C ASN A 12 10.842 1.651 -0.912 1.00 0.00 C ATOM 146 O ASN A 12 11.456 2.628 -0.467 1.00 0.00 O ATOM 147 CB ASN A 12 11.964 0.607 -2.955 1.00 0.00 C ATOM 148 CG ASN A 12 11.879 0.293 -4.444 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.762 0.630 -5.221 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.822 -0.344 -4.899 1.00 0.00 N ATOM 0 H ASN A 12 11.542 3.009 -3.556 1.00 0.00 H new ATOM 0 HA ASN A 12 9.869 0.811 -2.619 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.877 1.170 -2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.041 -0.327 -2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.742 -0.554 -5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.082 -0.628 -4.257 1.00 0.00 H new ATOM 157 N ARG A 13 10.221 0.777 -0.103 1.00 0.00 N ATOM 158 CA ARG A 13 10.167 0.917 1.371 1.00 0.00 C ATOM 159 C ARG A 13 10.873 -0.214 2.121 1.00 0.00 C ATOM 160 O ARG A 13 10.456 -0.618 3.207 1.00 0.00 O ATOM 161 CB ARG A 13 8.714 1.121 1.832 1.00 0.00 C ATOM 162 CG ARG A 13 7.948 2.290 1.194 1.00 0.00 C ATOM 163 CD ARG A 13 8.667 3.649 1.171 1.00 0.00 C ATOM 164 NE ARG A 13 9.211 4.037 2.489 1.00 0.00 N ATOM 165 CZ ARG A 13 10.459 4.356 2.787 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.435 4.298 1.923 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.760 4.741 3.993 1.00 0.00 N ATOM 0 H ARG A 13 9.739 -0.052 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 13 10.736 1.810 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.161 0.203 1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.716 1.264 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.701 2.017 0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.005 2.412 1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.480 3.612 0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.971 4.416 0.831 1.00 0.00 H new ATOM 0 HE ARG A 13 8.544 4.062 3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.252 3.995 0.966 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.381 4.555 2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.034 4.796 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.722 4.987 4.224 1.00 0.00 H new ATOM 181 N GLY A 14 11.919 -0.758 1.501 1.00 0.00 N ATOM 182 CA GLY A 14 12.752 -1.855 2.012 1.00 0.00 C ATOM 183 C GLY A 14 12.034 -3.169 2.338 1.00 0.00 C ATOM 184 O GLY A 14 12.653 -4.030 2.962 1.00 0.00 O ATOM 0 H GLY A 14 12.227 -0.433 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.528 -2.065 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.255 -1.509 2.915 1.00 0.00 H new ATOM 188 N ASN A 15 10.773 -3.283 1.887 1.00 0.00 N ATOM 189 CA ASN A 15 9.778 -4.376 1.960 1.00 0.00 C ATOM 190 C ASN A 15 8.439 -4.019 2.664 1.00 0.00 C ATOM 191 O ASN A 15 7.546 -4.865 2.734 1.00 0.00 O ATOM 192 CB ASN A 15 10.350 -5.689 2.541 1.00 0.00 C ATOM 193 CG ASN A 15 10.452 -5.733 4.069 1.00 0.00 C ATOM 194 OD1 ASN A 15 10.380 -4.740 4.781 1.00 0.00 O ATOM 195 ND2 ASN A 15 10.581 -6.905 4.644 1.00 0.00 N ATOM 0 H ASN A 15 10.366 -2.492 1.388 1.00 0.00 H new ATOM 0 HA ASN A 15 9.534 -4.536 0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.724 -6.518 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.343 -5.852 2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.619 -6.973 5.661 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.643 -7.749 4.074 1.00 0.00 H new ATOM 202 N THR A 16 8.280 -2.805 3.203 1.00 0.00 N ATOM 203 CA THR A 16 7.077 -2.386 3.962 1.00 0.00 C ATOM 204 C THR A 16 5.806 -2.361 3.098 1.00 0.00 C ATOM 205 O THR A 16 5.733 -1.557 2.171 1.00 0.00 O ATOM 206 CB THR A 16 7.311 -0.998 4.590 1.00 0.00 C ATOM 207 OG1 THR A 16 8.444 -1.013 5.435 1.00 0.00 O ATOM 208 CG2 THR A 16 6.139 -0.497 5.432 1.00 0.00 C ATOM 0 H THR A 16 8.985 -2.072 3.129 1.00 0.00 H new ATOM 0 HA THR A 16 6.917 -3.129 4.743 1.00 0.00 H new ATOM 0 HB THR A 16 7.446 -0.329 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.254 -0.880 4.899 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.378 0.485 5.840 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.248 -0.424 4.808 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.954 -1.194 6.249 1.00 0.00 H new ATOM 216 N CYS A 17 4.797 -3.197 3.394 1.00 0.00 N ATOM 217 CA CYS A 17 3.528 -3.273 2.659 1.00 0.00 C ATOM 218 C CYS A 17 2.344 -3.009 3.612 1.00 0.00 C ATOM 219 O CYS A 17 2.057 -3.832 4.485 1.00 0.00 O ATOM 220 CB CYS A 17 3.408 -4.654 1.995 1.00 0.00 C ATOM 221 SG CYS A 17 4.791 -4.979 0.865 1.00 0.00 S ATOM 0 H CYS A 17 4.845 -3.855 4.172 1.00 0.00 H new ATOM 0 HA CYS A 17 3.507 -2.508 1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.377 -5.426 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.468 -4.713 1.446 1.00 0.00 H new ATOM 0 HG CYS A 17 5.911 -4.927 1.523 1.00 0.00 H new ATOM 227 N LEU A 18 1.682 -1.856 3.462 1.00 0.00 N ATOM 228 CA LEU A 18 0.587 -1.363 4.316 1.00 0.00 C ATOM 229 C LEU A 18 -0.730 -1.146 3.561 1.00 0.00 C ATOM 230 O LEU A 18 -0.755 -0.706 2.411 1.00 0.00 O ATOM 231 CB LEU A 18 1.031 -0.035 4.975 1.00 0.00 C ATOM 232 CG LEU A 18 1.744 -0.138 6.336 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.837 -1.199 6.397 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.367 1.216 6.685 1.00 0.00 C ATOM 0 H LEU A 18 1.903 -1.208 2.706 1.00 0.00 H new ATOM 0 HA LEU A 18 0.389 -2.132 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.695 0.482 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.149 0.593 5.100 1.00 0.00 H new ATOM 0 HG LEU A 18 0.977 -0.435 7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.286 -1.203 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.405 -2.178 6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.603 -0.976 5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.873 1.146 7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.088 1.494 5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.585 1.973 6.740 1.00 0.00 H new ATOM 246 N GLU A 19 -1.831 -1.406 4.266 1.00 0.00 N ATOM 247 CA GLU A 19 -3.214 -1.208 3.824 1.00 0.00 C ATOM 248 C GLU A 19 -3.802 0.147 4.257 1.00 0.00 C ATOM 249 O GLU A 19 -4.933 0.458 3.885 1.00 0.00 O ATOM 250 CB GLU A 19 -4.117 -2.337 4.361 1.00 0.00 C ATOM 251 CG GLU A 19 -4.385 -2.345 5.876 1.00 0.00 C ATOM 252 CD GLU A 19 -3.203 -2.886 6.706 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.231 -2.128 6.944 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.250 -4.061 7.144 1.00 0.00 O ATOM 0 H GLU A 19 -1.781 -1.781 5.213 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.186 -1.223 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.076 -2.280 3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.666 -3.292 4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.614 -1.330 6.202 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.268 -2.951 6.078 1.00 0.00 H new ATOM 261 N ASN A 20 -3.078 0.935 5.060 1.00 0.00 N ATOM 262 CA ASN A 20 -3.525 2.239 5.570 1.00 0.00 C ATOM 263 C ASN A 20 -2.358 3.227 5.772 1.00 0.00 C ATOM 264 O ASN A 20 -1.229 2.820 6.061 1.00 0.00 O ATOM 265 CB ASN A 20 -4.273 2.043 6.909 1.00 0.00 C ATOM 266 CG ASN A 20 -5.746 1.713 6.742 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.476 2.366 6.005 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.246 0.715 7.434 1.00 0.00 N ATOM 0 H ASN A 20 -2.144 0.679 5.381 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.190 2.669 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.792 1.242 7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.178 2.951 7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.237 0.487 7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.643 0.168 8.049 1.00 0.00 H new ATOM 275 N GLY A 21 -2.656 4.528 5.665 1.00 0.00 N ATOM 276 CA GLY A 21 -1.713 5.640 5.870 1.00 0.00 C ATOM 277 C GLY A 21 -1.543 6.562 4.653 1.00 0.00 C ATOM 278 O GLY A 21 -2.209 6.390 3.631 1.00 0.00 O ATOM 0 H GLY A 21 -3.594 4.849 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.052 6.236 6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.739 5.230 6.138 1.00 0.00 H new ATOM 282 N SER A 22 -0.633 7.533 4.785 1.00 0.00 N ATOM 283 CA SER A 22 -0.204 8.512 3.766 1.00 0.00 C ATOM 284 C SER A 22 1.255 8.887 4.052 1.00 0.00 C ATOM 285 O SER A 22 1.563 9.385 5.138 1.00 0.00 O ATOM 286 CB SER A 22 -1.056 9.789 3.789 1.00 0.00 C ATOM 287 OG SER A 22 -2.371 9.547 3.310 1.00 0.00 O ATOM 0 H SER A 22 -0.139 7.670 5.667 1.00 0.00 H new ATOM 0 HA SER A 22 -0.321 8.056 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.104 10.177 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.580 10.556 3.178 1.00 0.00 H new ATOM 0 HG SER A 22 -2.512 8.582 3.214 1.00 0.00 H new ATOM 293 N PHE A 23 2.173 8.601 3.127 1.00 0.00 N ATOM 294 CA PHE A 23 3.619 8.789 3.317 1.00 0.00 C ATOM 295 C PHE A 23 4.122 10.242 3.250 1.00 0.00 C ATOM 296 O PHE A 23 4.698 10.699 2.263 1.00 0.00 O ATOM 297 CB PHE A 23 4.369 7.841 2.378 1.00 0.00 C ATOM 298 CG PHE A 23 5.861 7.664 2.619 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.417 7.747 3.913 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.698 7.354 1.532 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.796 7.559 4.101 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.083 7.192 1.716 1.00 0.00 C ATOM 303 CZ PHE A 23 8.637 7.335 3.000 1.00 0.00 C ATOM 0 H PHE A 23 1.933 8.226 2.209 1.00 0.00 H new ATOM 0 HA PHE A 23 3.838 8.530 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.898 6.860 2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.231 8.197 1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.781 7.956 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.273 7.239 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.211 7.587 5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.718 6.959 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.706 7.273 3.139 1.00 0.00 H new ATOM 313 N LEU A 24 3.901 10.987 4.334 1.00 0.00 N ATOM 314 CA LEU A 24 4.253 12.402 4.487 1.00 0.00 C ATOM 315 C LEU A 24 5.720 12.770 4.180 1.00 0.00 C ATOM 316 O LEU A 24 6.000 13.912 3.814 1.00 0.00 O ATOM 317 CB LEU A 24 3.880 12.880 5.902 1.00 0.00 C ATOM 318 CG LEU A 24 2.421 12.649 6.350 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.175 13.363 7.679 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.385 13.143 5.340 1.00 0.00 C ATOM 0 H LEU A 24 3.452 10.605 5.167 1.00 0.00 H new ATOM 0 HA LEU A 24 3.672 12.918 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.538 12.381 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.091 13.947 5.967 1.00 0.00 H new ATOM 0 HG LEU A 24 2.299 11.570 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.145 13.199 7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.853 12.968 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.351 14.432 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.383 12.948 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.511 14.214 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.521 12.620 4.394 1.00 0.00 H new ATOM 332 N LEU A 25 6.654 11.822 4.307 1.00 0.00 N ATOM 333 CA LEU A 25 8.076 12.018 3.976 1.00 0.00 C ATOM 334 C LEU A 25 8.342 12.044 2.453 1.00 0.00 C ATOM 335 O LEU A 25 9.379 12.557 2.030 1.00 0.00 O ATOM 336 CB LEU A 25 8.929 10.936 4.667 1.00 0.00 C ATOM 337 CG LEU A 25 8.987 11.033 6.206 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.891 9.929 6.759 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.538 12.371 6.706 1.00 0.00 C ATOM 0 H LEU A 25 6.445 10.883 4.647 1.00 0.00 H new ATOM 0 HA LEU A 25 8.364 13.000 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.536 9.956 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.945 10.992 4.276 1.00 0.00 H new ATOM 0 HG LEU A 25 7.959 10.932 6.554 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.930 10.001 7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.493 8.955 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.896 10.043 6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.552 12.374 7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.551 12.511 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.903 13.182 6.349 1.00 0.00 H new ATOM 351 N ASN A 26 7.406 11.552 1.629 1.00 0.00 N ATOM 352 CA ASN A 26 7.478 11.598 0.162 1.00 0.00 C ATOM 353 C ASN A 26 6.535 12.678 -0.386 1.00 0.00 C ATOM 354 O ASN A 26 6.844 13.296 -1.399 1.00 0.00 O ATOM 355 CB ASN A 26 7.128 10.215 -0.409 1.00 0.00 C ATOM 356 CG ASN A 26 7.371 10.110 -1.913 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.255 10.729 -2.475 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.626 9.317 -2.634 1.00 0.00 N ATOM 0 H ASN A 26 6.558 11.101 1.972 1.00 0.00 H new ATOM 0 HA ASN A 26 8.491 11.857 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.720 9.457 0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.081 9.996 -0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.794 9.231 -3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.876 8.783 -2.195 1.00 0.00 H new ATOM 365 N PHE A 27 5.401 12.930 0.275 1.00 0.00 N ATOM 366 CA PHE A 27 4.467 13.989 -0.136 1.00 0.00 C ATOM 367 C PHE A 27 5.096 15.383 0.028 1.00 0.00 C ATOM 368 O PHE A 27 5.183 15.917 1.135 1.00 0.00 O ATOM 369 CB PHE A 27 3.153 13.900 0.642 1.00 0.00 C ATOM 370 CG PHE A 27 2.108 14.938 0.241 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.665 15.036 -1.095 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.564 15.803 1.210 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.651 15.950 -1.454 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.561 16.723 0.852 1.00 0.00 C ATOM 375 CZ PHE A 27 0.088 16.777 -0.469 1.00 0.00 C ATOM 0 H PHE A 27 5.104 12.413 1.102 1.00 0.00 H new ATOM 0 HA PHE A 27 4.248 13.838 -1.193 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.730 12.905 0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.367 14.010 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.107 14.404 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.917 15.760 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.311 16.013 -2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.153 17.391 1.597 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.711 17.456 -0.728 1.00 0.00 H new ATOM 385 N THR A 28 5.507 16.009 -1.069 1.00 0.00 N ATOM 386 CA THR A 28 6.120 17.358 -1.067 1.00 0.00 C ATOM 387 C THR A 28 5.084 18.483 -1.018 1.00 0.00 C ATOM 388 O THR A 28 5.438 19.664 -0.976 1.00 0.00 O ATOM 389 CB THR A 28 7.050 17.553 -2.280 1.00 0.00 C ATOM 390 OG1 THR A 28 6.468 17.101 -3.485 1.00 0.00 O ATOM 391 CG2 THR A 28 8.330 16.748 -2.083 1.00 0.00 C ATOM 0 H THR A 28 5.429 15.601 -2.001 1.00 0.00 H new ATOM 0 HA THR A 28 6.709 17.417 -0.152 1.00 0.00 H new ATOM 0 HB THR A 28 7.244 18.623 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.094 17.247 -4.225 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.984 16.889 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.838 17.088 -1.181 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.083 15.691 -1.984 1.00 0.00 H new ATOM 399 N GLY A 29 3.802 18.119 -1.032 1.00 0.00 N ATOM 400 CA GLY A 29 2.658 19.015 -1.086 1.00 0.00 C ATOM 401 C GLY A 29 2.118 19.055 -2.519 1.00 0.00 C ATOM 402 O GLY A 29 2.889 18.894 -3.470 1.00 0.00 O ATOM 0 H GLY A 29 3.524 17.138 -1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.881 18.674 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.949 20.016 -0.766 1.00 0.00 H new ATOM 406 N CYS A 30 0.809 19.265 -2.658 1.00 0.00 N ATOM 407 CA CYS A 30 0.088 19.295 -3.923 1.00 0.00 C ATOM 408 C CYS A 30 0.686 20.255 -4.959 1.00 0.00 C ATOM 409 O CYS A 30 1.484 21.149 -4.648 1.00 0.00 O ATOM 410 CB CYS A 30 -1.391 19.632 -3.640 1.00 0.00 C ATOM 411 SG CYS A 30 -2.506 19.181 -5.031 1.00 0.00 S ATOM 0 H CYS A 30 0.200 19.425 -1.856 1.00 0.00 H new ATOM 0 HA CYS A 30 0.176 18.307 -4.375 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.712 19.109 -2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.483 20.699 -3.438 1.00 0.00 H new ATOM 416 N ALA A 31 0.223 20.112 -6.189 1.00 0.00 N ATOM 417 CA ALA A 31 0.530 21.013 -7.291 1.00 0.00 C ATOM 418 C ALA A 31 -0.738 21.554 -7.979 1.00 0.00 C ATOM 419 O ALA A 31 -0.635 22.543 -8.716 1.00 0.00 O ATOM 420 CB ALA A 31 1.536 20.393 -8.261 1.00 0.00 C ATOM 0 H ALA A 31 -0.394 19.345 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 31 1.020 21.890 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.741 21.094 -9.070 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.462 20.170 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.123 19.473 -8.674 1.00 0.00 H new ATOM 426 N VAL A 32 -1.932 21.009 -7.699 1.00 0.00 N ATOM 427 CA VAL A 32 -3.194 21.589 -8.181 1.00 0.00 C ATOM 428 C VAL A 32 -3.488 22.875 -7.388 1.00 0.00 C ATOM 429 O VAL A 32 -4.002 23.840 -7.964 1.00 0.00 O ATOM 430 CB VAL A 32 -4.379 20.589 -8.100 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.770 21.227 -8.264 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.298 19.532 -9.211 1.00 0.00 C ATOM 0 H VAL A 32 -2.049 20.164 -7.139 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.081 21.829 -9.238 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.279 20.169 -7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.535 20.454 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.927 21.965 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.835 21.714 -9.237 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.142 18.848 -9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.327 20.023 -10.184 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.367 18.973 -9.114 1.00 0.00 H new ATOM 442 N CYS A 33 -3.130 22.909 -6.097 1.00 0.00 N ATOM 443 CA CYS A 33 -3.346 24.027 -5.173 1.00 0.00 C ATOM 444 C CYS A 33 -2.123 24.468 -4.326 1.00 0.00 C ATOM 445 O CYS A 33 -2.143 25.579 -3.780 1.00 0.00 O ATOM 446 CB CYS A 33 -4.492 23.639 -4.240 1.00 0.00 C ATOM 447 SG CYS A 33 -3.976 22.273 -3.149 1.00 0.00 S ATOM 0 H CYS A 33 -2.661 22.121 -5.650 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.566 24.894 -5.796 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.791 24.499 -3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.362 23.339 -4.825 1.00 0.00 H new ATOM 452 N SER A 34 -1.068 23.644 -4.226 1.00 0.00 N ATOM 453 CA SER A 34 0.187 23.905 -3.479 1.00 0.00 C ATOM 454 C SER A 34 0.164 23.607 -1.956 1.00 0.00 C ATOM 455 O SER A 34 1.024 24.117 -1.226 1.00 0.00 O ATOM 456 CB SER A 34 0.751 25.306 -3.795 1.00 0.00 C ATOM 457 OG SER A 34 2.160 25.357 -3.627 1.00 0.00 O ATOM 0 H SER A 34 -1.060 22.732 -4.683 1.00 0.00 H new ATOM 0 HA SER A 34 0.877 23.152 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.497 25.578 -4.820 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.280 26.043 -3.144 1.00 0.00 H new ATOM 0 HG SER A 34 2.402 24.956 -2.766 1.00 0.00 H new ATOM 463 N LYS A 35 -0.776 22.804 -1.426 1.00 0.00 N ATOM 464 CA LYS A 35 -0.874 22.488 0.024 1.00 0.00 C ATOM 465 C LYS A 35 -0.104 21.224 0.445 1.00 0.00 C ATOM 466 O LYS A 35 -0.181 20.192 -0.217 1.00 0.00 O ATOM 467 CB LYS A 35 -2.354 22.313 0.404 1.00 0.00 C ATOM 468 CG LYS A 35 -3.095 23.660 0.488 1.00 0.00 C ATOM 469 CD LYS A 35 -3.610 23.920 1.904 1.00 0.00 C ATOM 470 CE LYS A 35 -4.201 25.332 1.997 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.642 25.653 3.379 1.00 0.00 N ATOM 0 H LYS A 35 -1.496 22.350 -1.988 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.415 23.325 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.844 21.676 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.423 21.802 1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.425 24.466 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.931 23.663 -0.212 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.368 23.182 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.797 23.809 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.457 26.060 1.674 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.047 25.418 1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.531 26.191 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.792 24.771 3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.912 26.222 3.853 1.00 0.00 H new ATOM 485 N ARG A 36 0.574 21.271 1.600 1.00 0.00 N ATOM 486 CA ARG A 36 1.284 20.138 2.247 1.00 0.00 C ATOM 487 C ARG A 36 0.572 19.765 3.558 1.00 0.00 C ATOM 488 O ARG A 36 -0.217 20.557 4.063 1.00 0.00 O ATOM 489 CB ARG A 36 2.771 20.472 2.419 1.00 0.00 C ATOM 490 CG ARG A 36 3.590 19.298 2.988 1.00 0.00 C ATOM 491 CD ARG A 36 5.079 19.416 2.651 1.00 0.00 C ATOM 492 NE ARG A 36 5.942 19.034 3.792 1.00 0.00 N ATOM 493 CZ ARG A 36 6.201 17.823 4.258 1.00 0.00 C ATOM 494 NH1 ARG A 36 5.779 16.740 3.679 1.00 0.00 N ATOM 495 NH2 ARG A 36 6.905 17.673 5.343 1.00 0.00 N ATOM 0 H ARG A 36 0.651 22.133 2.139 1.00 0.00 H new ATOM 0 HA ARG A 36 1.250 19.253 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.186 20.763 1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.870 21.332 3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.466 19.261 4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.202 18.360 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.308 18.780 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.303 20.441 2.355 1.00 0.00 H new ATOM 0 HE ARG A 36 6.396 19.805 4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.222 16.801 2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.005 15.828 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.260 18.491 5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.102 16.737 5.698 1.00 0.00 H new ATOM 509 N ASP A 37 0.816 18.558 4.084 1.00 0.00 N ATOM 510 CA ASP A 37 0.173 17.975 5.287 1.00 0.00 C ATOM 511 C ASP A 37 -1.375 18.008 5.282 1.00 0.00 C ATOM 512 O ASP A 37 -2.048 18.016 6.313 1.00 0.00 O ATOM 513 CB ASP A 37 0.823 18.475 6.583 1.00 0.00 C ATOM 514 CG ASP A 37 0.667 19.975 6.909 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.337 20.371 7.549 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.611 20.751 6.616 1.00 0.00 O ATOM 0 H ASP A 37 1.499 17.924 3.668 1.00 0.00 H new ATOM 0 HA ASP A 37 0.379 16.906 5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.409 17.903 7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.888 18.247 6.538 1.00 0.00 H new ATOM 521 N PHE A 38 -1.923 18.002 4.069 1.00 0.00 N ATOM 522 CA PHE A 38 -3.334 18.069 3.705 1.00 0.00 C ATOM 523 C PHE A 38 -3.740 16.876 2.835 1.00 0.00 C ATOM 524 O PHE A 38 -3.542 16.875 1.622 1.00 0.00 O ATOM 525 CB PHE A 38 -3.643 19.401 3.000 1.00 0.00 C ATOM 526 CG PHE A 38 -4.064 20.545 3.908 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.278 20.962 4.999 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.289 21.194 3.659 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.694 22.040 5.802 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.703 22.277 4.453 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.904 22.701 5.529 1.00 0.00 C ATOM 0 H PHE A 38 -1.333 17.945 3.239 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.924 18.021 4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.758 19.710 2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.435 19.230 2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.352 20.452 5.221 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.917 20.855 2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.081 22.361 6.631 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.633 22.782 4.237 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.219 23.531 6.144 1.00 0.00 H new ATOM 541 N MET A 39 -4.345 15.869 3.462 1.00 0.00 N ATOM 542 CA MET A 39 -4.860 14.680 2.770 1.00 0.00 C ATOM 543 C MET A 39 -5.895 13.876 3.568 1.00 0.00 C ATOM 544 O MET A 39 -5.865 13.803 4.797 1.00 0.00 O ATOM 545 CB MET A 39 -3.734 13.738 2.295 1.00 0.00 C ATOM 546 CG MET A 39 -2.666 13.430 3.357 1.00 0.00 C ATOM 547 SD MET A 39 -0.994 14.024 2.979 1.00 0.00 S ATOM 548 CE MET A 39 -0.638 13.060 1.482 1.00 0.00 C ATOM 0 H MET A 39 -4.495 15.851 4.471 1.00 0.00 H new ATOM 0 HA MET A 39 -5.375 15.093 1.903 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.179 12.800 1.964 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.247 14.184 1.428 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.983 13.868 4.303 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.625 12.351 3.503 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.432 12.858 1.425 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.184 12.117 1.518 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.948 13.625 0.603 1.00 0.00 H new ATOM 558 N LEU A 40 -6.779 13.246 2.798 1.00 0.00 N ATOM 559 CA LEU A 40 -7.893 12.360 3.141 1.00 0.00 C ATOM 560 C LEU A 40 -7.756 11.052 2.343 1.00 0.00 C ATOM 561 O LEU A 40 -7.038 10.989 1.342 1.00 0.00 O ATOM 562 CB LEU A 40 -9.216 13.067 2.754 1.00 0.00 C ATOM 563 CG LEU A 40 -9.915 13.959 3.798 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.903 13.141 4.634 1.00 0.00 C ATOM 565 CD2 LEU A 40 -8.988 14.656 4.777 1.00 0.00 C ATOM 0 H LEU A 40 -6.724 13.359 1.786 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.889 12.135 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.017 13.681 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.925 12.297 2.451 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.406 14.725 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.386 13.790 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.659 12.705 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.369 12.345 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.576 15.258 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.422 13.911 5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.299 15.300 4.230 1.00 0.00 H new ATOM 577 N ILE A 41 -8.500 10.024 2.753 1.00 0.00 N ATOM 578 CA ILE A 41 -8.594 8.722 2.085 1.00 0.00 C ATOM 579 C ILE A 41 -10.081 8.446 1.860 1.00 0.00 C ATOM 580 O ILE A 41 -10.901 8.626 2.764 1.00 0.00 O ATOM 581 CB ILE A 41 -7.933 7.615 2.937 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.402 7.824 3.010 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.274 6.213 2.382 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.703 6.928 4.042 1.00 0.00 C ATOM 0 H ILE A 41 -9.077 10.076 3.592 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.062 8.732 1.134 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.333 7.680 3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.971 7.634 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.198 8.867 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.797 5.452 2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.354 6.068 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.912 6.129 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.632 7.132 4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.105 7.134 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.875 5.881 3.791 1.00 0.00 H new ATOM 596 N THR A 42 -10.426 7.996 0.656 1.00 0.00 N ATOM 597 CA THR A 42 -11.805 7.647 0.284 1.00 0.00 C ATOM 598 C THR A 42 -11.832 6.526 -0.749 1.00 0.00 C ATOM 599 O THR A 42 -10.781 6.104 -1.239 1.00 0.00 O ATOM 600 CB THR A 42 -12.574 8.888 -0.216 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.942 8.719 0.096 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.489 9.152 -1.723 1.00 0.00 C ATOM 0 H THR A 42 -9.754 7.860 -0.099 1.00 0.00 H new ATOM 0 HA THR A 42 -12.309 7.281 1.178 1.00 0.00 H new ATOM 0 HB THR A 42 -12.106 9.738 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.447 9.500 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.063 10.045 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.447 9.300 -2.008 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.896 8.299 -2.265 1.00 0.00 H new ATOM 610 N ASN A 43 -13.040 6.078 -1.112 1.00 0.00 N ATOM 611 CA ASN A 43 -13.286 5.099 -2.180 1.00 0.00 C ATOM 612 C ASN A 43 -12.562 3.742 -1.961 1.00 0.00 C ATOM 613 O ASN A 43 -12.393 2.940 -2.882 1.00 0.00 O ATOM 614 CB ASN A 43 -13.007 5.874 -3.491 1.00 0.00 C ATOM 615 CG ASN A 43 -13.083 5.080 -4.777 1.00 0.00 C ATOM 616 OD1 ASN A 43 -14.093 4.475 -5.117 1.00 0.00 O ATOM 617 ND2 ASN A 43 -12.025 5.105 -5.551 1.00 0.00 N ATOM 0 H ASN A 43 -13.897 6.395 -0.659 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.311 4.729 -2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.717 6.698 -3.557 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.013 6.315 -3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.037 4.618 -6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.190 5.612 -5.257 1.00 0.00 H new ATOM 624 N LYS A 44 -12.144 3.484 -0.711 1.00 0.00 N ATOM 625 CA LYS A 44 -11.451 2.280 -0.243 1.00 0.00 C ATOM 626 C LYS A 44 -12.254 1.001 -0.494 1.00 0.00 C ATOM 627 O LYS A 44 -13.309 0.784 0.108 1.00 0.00 O ATOM 628 CB LYS A 44 -11.138 2.440 1.254 1.00 0.00 C ATOM 629 CG LYS A 44 -10.101 1.418 1.747 1.00 0.00 C ATOM 630 CD LYS A 44 -9.932 1.450 3.272 1.00 0.00 C ATOM 631 CE LYS A 44 -8.657 0.704 3.686 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.445 1.542 3.499 1.00 0.00 N ATOM 0 H LYS A 44 -12.292 4.154 0.044 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.528 2.175 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.767 3.448 1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.057 2.327 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.405 0.418 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.141 1.620 1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.885 2.483 3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.799 0.994 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.734 0.404 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.562 -0.209 3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.637 0.934 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.610 2.224 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.238 2.055 4.380 1.00 0.00 H new ATOM 646 N SER A 45 -11.726 0.152 -1.363 1.00 0.00 N ATOM 647 CA SER A 45 -12.259 -1.163 -1.706 1.00 0.00 C ATOM 648 C SER A 45 -11.406 -2.291 -1.121 1.00 0.00 C ATOM 649 O SER A 45 -10.207 -2.132 -0.873 1.00 0.00 O ATOM 650 CB SER A 45 -12.347 -1.296 -3.230 1.00 0.00 C ATOM 651 OG SER A 45 -13.317 -0.402 -3.756 1.00 0.00 O ATOM 0 H SER A 45 -10.871 0.370 -1.875 1.00 0.00 H new ATOM 0 HA SER A 45 -13.255 -1.252 -1.272 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.374 -1.088 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.607 -2.321 -3.496 1.00 0.00 H new ATOM 0 HG SER A 45 -13.358 -0.500 -4.730 1.00 0.00 H new ATOM 657 N LEU A 46 -12.029 -3.454 -0.938 1.00 0.00 N ATOM 658 CA LEU A 46 -11.411 -4.681 -0.436 1.00 0.00 C ATOM 659 C LEU A 46 -11.948 -5.888 -1.218 1.00 0.00 C ATOM 660 O LEU A 46 -13.143 -5.971 -1.514 1.00 0.00 O ATOM 661 CB LEU A 46 -11.618 -4.799 1.085 1.00 0.00 C ATOM 662 CG LEU A 46 -11.197 -6.168 1.678 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.612 -5.989 3.081 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.365 -7.152 1.805 1.00 0.00 C ATOM 0 H LEU A 46 -13.021 -3.572 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.333 -4.652 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.050 -4.011 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.670 -4.625 1.312 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.462 -6.572 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.322 -6.961 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.736 -5.342 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.360 -5.537 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.006 -8.091 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.127 -6.729 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.794 -7.337 0.820 1.00 0.00 H new ATOM 676 N LYS A 47 -11.044 -6.807 -1.564 1.00 0.00 N ATOM 677 CA LYS A 47 -11.298 -8.023 -2.338 1.00 0.00 C ATOM 678 C LYS A 47 -10.671 -9.244 -1.680 1.00 0.00 C ATOM 679 O LYS A 47 -9.614 -9.131 -1.068 1.00 0.00 O ATOM 680 CB LYS A 47 -10.764 -7.844 -3.767 1.00 0.00 C ATOM 681 CG LYS A 47 -11.809 -8.254 -4.805 1.00 0.00 C ATOM 682 CD LYS A 47 -11.281 -8.280 -6.246 1.00 0.00 C ATOM 683 CE LYS A 47 -10.400 -9.515 -6.471 1.00 0.00 C ATOM 684 NZ LYS A 47 -9.998 -9.675 -7.889 1.00 0.00 N ATOM 0 H LYS A 47 -10.063 -6.718 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.374 -8.190 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.481 -6.803 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.863 -8.443 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.190 -9.243 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.651 -7.564 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.117 -8.289 -6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.707 -7.375 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.507 -9.439 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.939 -10.405 -6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.506 -10.583 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.844 -9.656 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.362 -8.898 -8.159 1.00 0.00 H new ATOM 698 N GLU A 48 -11.299 -10.406 -1.801 1.00 0.00 N ATOM 699 CA GLU A 48 -10.740 -11.652 -1.249 1.00 0.00 C ATOM 700 C GLU A 48 -10.937 -12.838 -2.212 1.00 0.00 C ATOM 701 O GLU A 48 -12.067 -13.252 -2.480 1.00 0.00 O ATOM 702 CB GLU A 48 -11.409 -11.963 0.105 1.00 0.00 C ATOM 703 CG GLU A 48 -11.201 -10.902 1.192 1.00 0.00 C ATOM 704 CD GLU A 48 -11.871 -11.350 2.507 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.251 -12.114 3.286 1.00 0.00 O ATOM 706 OE2 GLU A 48 -13.035 -10.955 2.766 1.00 0.00 O ATOM 0 H GLU A 48 -12.195 -10.521 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.668 -11.509 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.479 -12.090 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.027 -12.916 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.135 -10.741 1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.621 -9.950 0.867 1.00 0.00 H new ATOM 713 N GLU A 49 -9.835 -13.414 -2.710 1.00 0.00 N ATOM 714 CA GLU A 49 -9.816 -14.633 -3.540 1.00 0.00 C ATOM 715 C GLU A 49 -9.028 -15.789 -2.902 1.00 0.00 C ATOM 716 O GLU A 49 -7.819 -15.684 -2.734 1.00 0.00 O ATOM 717 CB GLU A 49 -9.277 -14.355 -4.951 1.00 0.00 C ATOM 718 CG GLU A 49 -10.201 -13.452 -5.780 1.00 0.00 C ATOM 719 CD GLU A 49 -9.736 -13.370 -7.246 1.00 0.00 C ATOM 720 OE1 GLU A 49 -9.943 -14.344 -8.011 1.00 0.00 O ATOM 721 OE2 GLU A 49 -9.192 -12.315 -7.656 1.00 0.00 O ATOM 0 H GLU A 49 -8.902 -13.036 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.858 -14.946 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.296 -13.887 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.139 -15.301 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.220 -13.837 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.221 -12.452 -5.346 1.00 0.00 H new ATOM 728 N ASP A 50 -9.657 -16.941 -2.670 1.00 0.00 N ATOM 729 CA ASP A 50 -9.028 -18.207 -2.218 1.00 0.00 C ATOM 730 C ASP A 50 -7.986 -18.149 -1.062 1.00 0.00 C ATOM 731 O ASP A 50 -7.154 -19.047 -0.908 1.00 0.00 O ATOM 732 CB ASP A 50 -8.442 -18.878 -3.479 1.00 0.00 C ATOM 733 CG ASP A 50 -8.192 -20.391 -3.319 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.091 -21.111 -2.818 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.120 -20.880 -3.753 1.00 0.00 O ATOM 0 H ASP A 50 -10.665 -17.034 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.819 -18.784 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.124 -18.718 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.502 -18.389 -3.736 1.00 0.00 H new ATOM 740 N GLY A 51 -8.004 -17.085 -0.257 1.00 0.00 N ATOM 741 CA GLY A 51 -7.065 -16.814 0.850 1.00 0.00 C ATOM 742 C GLY A 51 -6.273 -15.511 0.666 1.00 0.00 C ATOM 743 O GLY A 51 -5.796 -14.933 1.644 1.00 0.00 O ATOM 0 H GLY A 51 -8.704 -16.350 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.621 -16.764 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.367 -17.647 0.938 1.00 0.00 H new ATOM 747 N GLU A 52 -6.165 -15.018 -0.570 1.00 0.00 N ATOM 748 CA GLU A 52 -5.554 -13.732 -0.910 1.00 0.00 C ATOM 749 C GLU A 52 -6.506 -12.604 -0.495 1.00 0.00 C ATOM 750 O GLU A 52 -7.707 -12.674 -0.755 1.00 0.00 O ATOM 751 CB GLU A 52 -5.248 -13.673 -2.425 1.00 0.00 C ATOM 752 CG GLU A 52 -4.687 -12.333 -2.946 1.00 0.00 C ATOM 753 CD GLU A 52 -4.499 -12.297 -4.483 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.909 -13.238 -5.208 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.948 -11.289 -4.994 1.00 0.00 O ATOM 0 H GLU A 52 -6.512 -15.520 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.611 -13.615 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.534 -14.461 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.164 -13.898 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.360 -11.528 -2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.728 -12.139 -2.466 1.00 0.00 H new ATOM 762 N GLU A 53 -5.969 -11.547 0.105 1.00 0.00 N ATOM 763 CA GLU A 53 -6.691 -10.344 0.513 1.00 0.00 C ATOM 764 C GLU A 53 -6.119 -9.147 -0.249 1.00 0.00 C ATOM 765 O GLU A 53 -4.907 -8.942 -0.275 1.00 0.00 O ATOM 766 CB GLU A 53 -6.576 -10.115 2.030 1.00 0.00 C ATOM 767 CG GLU A 53 -7.209 -11.236 2.865 1.00 0.00 C ATOM 768 CD GLU A 53 -7.150 -10.905 4.370 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.911 -10.022 4.835 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.348 -11.530 5.106 1.00 0.00 O ATOM 0 H GLU A 53 -4.975 -11.502 0.331 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.749 -10.465 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.523 -10.023 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.053 -9.169 2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.246 -11.380 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.688 -12.174 2.675 1.00 0.00 H new ATOM 777 N ILE A 54 -6.976 -8.340 -0.871 1.00 0.00 N ATOM 778 CA ILE A 54 -6.579 -7.182 -1.664 1.00 0.00 C ATOM 779 C ILE A 54 -7.255 -5.932 -1.110 1.00 0.00 C ATOM 780 O ILE A 54 -8.438 -5.967 -0.777 1.00 0.00 O ATOM 781 CB ILE A 54 -6.913 -7.379 -3.163 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.330 -8.691 -3.748 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.312 -6.193 -3.925 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.292 -9.888 -3.715 1.00 0.00 C ATOM 0 H ILE A 54 -7.986 -8.477 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.498 -7.064 -1.593 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.996 -7.439 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.030 -8.511 -4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.428 -8.951 -3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.527 -6.297 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.748 -5.265 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.233 -6.173 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.801 -10.762 -4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.574 -10.100 -2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.185 -9.653 -4.294 1.00 0.00 H new ATOM 796 N VAL A 55 -6.519 -4.824 -1.034 1.00 0.00 N ATOM 797 CA VAL A 55 -7.015 -3.523 -0.576 1.00 0.00 C ATOM 798 C VAL A 55 -6.572 -2.450 -1.564 1.00 0.00 C ATOM 799 O VAL A 55 -5.376 -2.221 -1.749 1.00 0.00 O ATOM 800 CB VAL A 55 -6.461 -3.205 0.824 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.019 -1.882 1.351 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.781 -4.316 1.832 1.00 0.00 C ATOM 0 H VAL A 55 -5.533 -4.804 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.103 -3.548 -0.520 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.379 -3.129 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.610 -1.684 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.740 -1.074 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.105 -1.944 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.372 -4.051 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.862 -4.435 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.337 -5.253 1.494 1.00 0.00 H new ATOM 812 N THR A 56 -7.528 -1.774 -2.196 1.00 0.00 N ATOM 813 CA THR A 56 -7.267 -0.673 -3.138 1.00 0.00 C ATOM 814 C THR A 56 -7.953 0.625 -2.697 1.00 0.00 C ATOM 815 O THR A 56 -9.120 0.604 -2.307 1.00 0.00 O ATOM 816 CB THR A 56 -7.570 -1.086 -4.587 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.947 -1.329 -4.783 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.827 -2.375 -4.970 1.00 0.00 C ATOM 0 H THR A 56 -8.521 -1.973 -2.071 1.00 0.00 H new ATOM 0 HA THR A 56 -6.200 -0.453 -3.118 1.00 0.00 H new ATOM 0 HB THR A 56 -7.240 -0.254 -5.209 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.104 -1.588 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.064 -2.639 -6.001 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.753 -2.218 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.137 -3.184 -4.308 1.00 0.00 H new ATOM 826 N TYR A 57 -7.262 1.766 -2.736 1.00 0.00 N ATOM 827 CA TYR A 57 -7.819 3.078 -2.354 1.00 0.00 C ATOM 828 C TYR A 57 -7.127 4.257 -3.058 1.00 0.00 C ATOM 829 O TYR A 57 -6.339 4.079 -3.990 1.00 0.00 O ATOM 830 CB TYR A 57 -7.836 3.234 -0.826 1.00 0.00 C ATOM 831 CG TYR A 57 -6.513 3.279 -0.077 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.918 2.081 0.363 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.937 4.514 0.282 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.778 2.122 1.187 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.798 4.560 1.106 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.224 3.361 1.580 1.00 0.00 C ATOM 837 OH TYR A 57 -3.170 3.399 2.440 1.00 0.00 O ATOM 0 H TYR A 57 -6.288 1.812 -3.036 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.850 3.104 -2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.377 4.151 -0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.418 2.408 -0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.337 1.130 0.068 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.374 5.433 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.324 1.201 1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.363 5.511 1.376 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.914 4.331 2.603 1.00 0.00 H new ATOM 847 N ASP A 58 -7.410 5.476 -2.598 1.00 0.00 N ATOM 848 CA ASP A 58 -6.865 6.713 -3.143 1.00 0.00 C ATOM 849 C ASP A 58 -6.559 7.710 -2.015 1.00 0.00 C ATOM 850 O ASP A 58 -7.184 7.679 -0.951 1.00 0.00 O ATOM 851 CB ASP A 58 -7.946 7.397 -4.003 1.00 0.00 C ATOM 852 CG ASP A 58 -8.467 6.583 -5.191 1.00 0.00 C ATOM 853 OD1 ASP A 58 -9.410 5.783 -4.997 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.004 6.809 -6.331 1.00 0.00 O ATOM 0 H ASP A 58 -8.043 5.631 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.967 6.463 -3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.790 7.647 -3.360 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.543 8.337 -4.380 1.00 0.00 H new ATOM 859 N HIS A 59 -5.673 8.661 -2.303 1.00 0.00 N ATOM 860 CA HIS A 59 -5.355 9.795 -1.437 1.00 0.00 C ATOM 861 C HIS A 59 -5.939 11.037 -2.116 1.00 0.00 C ATOM 862 O HIS A 59 -5.851 11.180 -3.336 1.00 0.00 O ATOM 863 CB HIS A 59 -3.843 9.945 -1.229 1.00 0.00 C ATOM 864 CG HIS A 59 -3.142 8.702 -0.729 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.754 8.438 0.569 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.614 7.708 -1.513 1.00 0.00 C ATOM 867 CE1 HIS A 59 -1.987 7.332 0.553 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.868 6.852 -0.694 1.00 0.00 N ATOM 0 H HIS A 59 -5.140 8.664 -3.173 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.782 9.648 -0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.389 10.245 -2.173 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.667 10.754 -0.520 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.004 8.984 1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.750 7.604 -2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.529 6.891 1.426 1.00 0.00 H new ATOM 876 N LEU A 60 -6.544 11.935 -1.344 1.00 0.00 N ATOM 877 CA LEU A 60 -7.232 13.128 -1.836 1.00 0.00 C ATOM 878 C LEU A 60 -6.804 14.350 -1.028 1.00 0.00 C ATOM 879 O LEU A 60 -6.821 14.308 0.200 1.00 0.00 O ATOM 880 CB LEU A 60 -8.763 12.968 -1.724 1.00 0.00 C ATOM 881 CG LEU A 60 -9.440 12.051 -2.762 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.447 10.567 -2.368 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.903 12.472 -2.908 1.00 0.00 C ATOM 0 H LEU A 60 -6.571 11.852 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.963 13.261 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.993 12.585 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.215 13.957 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.865 12.157 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.940 9.986 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.422 10.217 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.985 10.443 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.395 11.831 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.407 12.377 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.952 13.508 -3.242 1.00 0.00 H new ATOM 895 N CYS A 61 -6.451 15.434 -1.710 1.00 0.00 N ATOM 896 CA CYS A 61 -6.037 16.695 -1.104 1.00 0.00 C ATOM 897 C CYS A 61 -7.127 17.255 -0.175 1.00 0.00 C ATOM 898 O CYS A 61 -8.268 17.465 -0.589 1.00 0.00 O ATOM 899 CB CYS A 61 -5.692 17.630 -2.275 1.00 0.00 C ATOM 900 SG CYS A 61 -4.726 19.080 -1.755 1.00 0.00 S ATOM 0 H CYS A 61 -6.445 15.461 -2.730 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.169 16.573 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.129 17.074 -3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.614 17.964 -2.751 1.00 0.00 H new ATOM 905 N LYS A 62 -6.813 17.519 1.098 1.00 0.00 N ATOM 906 CA LYS A 62 -7.780 18.108 2.050 1.00 0.00 C ATOM 907 C LYS A 62 -8.217 19.528 1.617 1.00 0.00 C ATOM 908 O LYS A 62 -9.193 20.057 2.152 1.00 0.00 O ATOM 909 CB LYS A 62 -7.167 18.058 3.470 1.00 0.00 C ATOM 910 CG LYS A 62 -7.837 18.888 4.579 1.00 0.00 C ATOM 911 CD LYS A 62 -9.280 18.457 4.885 1.00 0.00 C ATOM 912 CE LYS A 62 -10.027 19.478 5.755 1.00 0.00 C ATOM 913 NZ LYS A 62 -10.321 20.736 5.015 1.00 0.00 N ATOM 0 H LYS A 62 -5.894 17.335 1.501 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.700 17.524 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.158 17.017 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.128 18.378 3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.243 18.809 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.835 19.938 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.820 18.318 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.268 17.492 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.960 19.039 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.429 19.708 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.838 21.532 5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.984 20.649 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.347 20.907 5.014 1.00 0.00 H new ATOM 927 N ASN A 63 -7.527 20.145 0.651 1.00 0.00 N ATOM 928 CA ASN A 63 -7.816 21.488 0.162 1.00 0.00 C ATOM 929 C ASN A 63 -8.670 21.477 -1.119 1.00 0.00 C ATOM 930 O ASN A 63 -9.791 21.993 -1.097 1.00 0.00 O ATOM 931 CB ASN A 63 -6.495 22.238 -0.027 1.00 0.00 C ATOM 932 CG ASN A 63 -6.736 23.645 -0.534 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.397 24.454 0.105 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.206 23.995 -1.677 1.00 0.00 N ATOM 0 H ASN A 63 -6.734 19.710 0.180 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.421 22.011 0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.956 22.276 0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.863 21.697 -0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.343 24.940 -2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.655 23.323 -2.211 1.00 0.00 H new ATOM 941 N CYS A 64 -8.172 20.892 -2.214 1.00 0.00 N ATOM 942 CA CYS A 64 -8.857 20.837 -3.510 1.00 0.00 C ATOM 943 C CYS A 64 -9.569 19.494 -3.810 1.00 0.00 C ATOM 944 O CYS A 64 -10.261 19.378 -4.828 1.00 0.00 O ATOM 945 CB CYS A 64 -7.858 21.253 -4.616 1.00 0.00 C ATOM 946 SG CYS A 64 -6.333 20.244 -4.695 1.00 0.00 S ATOM 0 H CYS A 64 -7.261 20.433 -2.224 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.684 21.547 -3.478 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.363 21.199 -5.581 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.579 22.295 -4.460 1.00 0.00 H new ATOM 951 N HIS A 65 -9.432 18.482 -2.938 1.00 0.00 N ATOM 952 CA HIS A 65 -9.981 17.110 -3.083 1.00 0.00 C ATOM 953 C HIS A 65 -9.637 16.407 -4.403 1.00 0.00 C ATOM 954 O HIS A 65 -10.243 15.398 -4.769 1.00 0.00 O ATOM 955 CB HIS A 65 -11.454 17.023 -2.656 1.00 0.00 C ATOM 956 CG HIS A 65 -11.643 17.309 -1.186 1.00 0.00 C ATOM 957 ND1 HIS A 65 -12.175 18.464 -0.642 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.298 16.478 -0.150 1.00 0.00 C ATOM 959 CE1 HIS A 65 -12.166 18.337 0.700 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.642 17.134 1.020 1.00 0.00 N ATOM 0 H HIS A 65 -8.911 18.596 -2.068 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.437 16.500 -2.361 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.042 17.731 -3.240 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.837 16.028 -2.882 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.845 15.501 -0.231 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.520 19.076 1.404 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.520 16.770 1.965 1.00 0.00 H new ATOM 969 N HIS A 66 -8.602 16.889 -5.080 1.00 0.00 N ATOM 970 CA HIS A 66 -7.994 16.242 -6.232 1.00 0.00 C ATOM 971 C HIS A 66 -7.328 14.942 -5.742 1.00 0.00 C ATOM 972 O HIS A 66 -6.826 14.887 -4.613 1.00 0.00 O ATOM 973 CB HIS A 66 -6.978 17.209 -6.825 1.00 0.00 C ATOM 974 CG HIS A 66 -5.651 16.617 -7.165 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.288 16.031 -8.356 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.519 16.829 -6.429 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.946 15.997 -8.381 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.444 16.516 -7.246 1.00 0.00 N ATOM 0 H HIS A 66 -8.150 17.769 -4.833 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.723 15.990 -7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.403 17.647 -7.728 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.822 18.024 -6.118 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.918 15.688 -9.081 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.471 17.174 -5.407 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.354 15.608 -9.196 1.00 0.00 H new ATOM 986 N VAL A 67 -7.300 13.896 -6.572 1.00 0.00 N ATOM 987 CA VAL A 67 -6.662 12.626 -6.212 1.00 0.00 C ATOM 988 C VAL A 67 -5.139 12.750 -6.312 1.00 0.00 C ATOM 989 O VAL A 67 -4.566 12.671 -7.402 1.00 0.00 O ATOM 990 CB VAL A 67 -7.201 11.460 -7.057 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.600 10.145 -6.564 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.727 11.333 -6.942 1.00 0.00 C ATOM 0 H VAL A 67 -7.715 13.904 -7.504 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.913 12.399 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.928 11.662 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.984 9.321 -7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.514 10.185 -6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.872 9.990 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.070 10.498 -7.553 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.000 11.157 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.196 12.254 -7.290 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.495 12.919 -5.154 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.037 13.046 -4.998 1.00 0.00 C ATOM 1004 C ILE A 68 -2.306 11.828 -5.575 1.00 0.00 C ATOM 1005 O ILE A 68 -1.316 11.956 -6.300 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.707 13.242 -3.498 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.103 14.689 -3.139 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.232 12.945 -3.142 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -3.003 15.013 -1.652 1.00 0.00 C ATOM 0 H ILE A 68 -4.990 12.974 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.691 13.914 -5.558 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.272 12.520 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.464 15.377 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.126 14.867 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.076 13.104 -2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.998 11.910 -3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.580 13.611 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.298 16.049 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.663 14.352 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.976 14.870 -1.317 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.800 10.634 -5.236 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.209 9.359 -5.617 1.00 0.00 C ATOM 1023 C ALA A 69 -3.204 8.195 -5.456 1.00 0.00 C ATOM 1024 O ALA A 69 -4.218 8.319 -4.764 1.00 0.00 O ATOM 1025 CB ALA A 69 -0.986 9.159 -4.705 1.00 0.00 C ATOM 0 H ALA A 69 -3.645 10.530 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.927 9.370 -6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.502 8.213 -4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.282 9.977 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.307 9.145 -3.663 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.879 7.046 -6.058 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.627 5.784 -5.947 1.00 0.00 C ATOM 1033 C ARG A 70 -2.762 4.778 -5.195 1.00 0.00 C ATOM 1034 O ARG A 70 -1.554 4.734 -5.424 1.00 0.00 O ATOM 1035 CB ARG A 70 -3.962 5.197 -7.323 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.257 5.684 -7.960 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.226 7.168 -8.312 1.00 0.00 C ATOM 1038 NE ARG A 70 -4.179 7.493 -9.307 1.00 0.00 N ATOM 1039 CZ ARG A 70 -3.650 8.680 -9.547 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -4.079 9.758 -8.958 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -2.666 8.808 -10.389 1.00 0.00 N ATOM 0 H ARG A 70 -2.058 6.964 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.562 5.985 -5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.139 5.422 -8.002 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.011 4.112 -7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.451 5.106 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.085 5.495 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.199 7.466 -8.703 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.055 7.749 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.828 6.717 -9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.846 9.702 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.648 10.659 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.297 7.988 -10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.264 9.728 -10.568 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.408 3.962 -4.366 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.777 2.956 -3.502 1.00 0.00 C ATOM 1057 C HIS A 71 -3.362 1.565 -3.722 1.00 0.00 C ATOM 1058 O HIS A 71 -4.579 1.387 -3.808 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.029 3.339 -2.037 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.106 2.677 -1.030 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.110 3.367 -0.340 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.074 1.356 -0.645 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.502 2.464 0.443 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.075 1.255 0.301 1.00 0.00 N ATOM 0 H HIS A 71 -4.423 3.980 -4.271 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.714 2.932 -3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.933 4.420 -1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.059 3.086 -1.784 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.704 0.559 -1.010 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.331 2.677 1.096 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.815 0.408 0.807 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.498 0.560 -3.748 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.867 -0.843 -3.839 1.00 0.00 C ATOM 1074 C GLU A 72 -1.963 -1.651 -2.904 1.00 0.00 C ATOM 1075 O GLU A 72 -0.741 -1.514 -2.915 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.760 -1.318 -5.300 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.822 -2.844 -5.424 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.995 -3.274 -6.894 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.151 -3.347 -7.377 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.978 -3.544 -7.577 1.00 0.00 O ATOM 0 H GLU A 72 -1.489 0.705 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.901 -0.989 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.568 -0.876 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.824 -0.959 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.910 -3.282 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.652 -3.227 -4.830 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.570 -2.526 -2.112 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.897 -3.476 -1.237 1.00 0.00 C ATOM 1089 C TYR A 73 -2.549 -4.833 -1.489 1.00 0.00 C ATOM 1090 O TYR A 73 -3.771 -4.960 -1.413 1.00 0.00 O ATOM 1091 CB TYR A 73 -2.013 -3.056 0.233 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.798 -4.186 1.232 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.542 -4.813 1.379 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.892 -4.647 1.988 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.372 -5.865 2.300 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.727 -5.690 2.915 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.460 -6.284 3.097 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.287 -7.252 4.037 1.00 0.00 O ATOM 0 H TYR A 73 -3.586 -2.595 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.829 -3.517 -1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.285 -2.269 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.001 -2.625 0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.295 -4.484 0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.864 -4.196 1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.588 -6.350 2.396 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.572 -6.038 3.490 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.557 -7.846 3.764 1.00 0.00 H new ATOM 1108 N THR A 74 -1.755 -5.847 -1.805 1.00 0.00 N ATOM 1109 CA THR A 74 -2.261 -7.200 -2.060 1.00 0.00 C ATOM 1110 C THR A 74 -1.465 -8.185 -1.198 1.00 0.00 C ATOM 1111 O THR A 74 -0.243 -8.086 -1.065 1.00 0.00 O ATOM 1112 CB THR A 74 -2.235 -7.583 -3.560 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.037 -8.199 -3.973 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.441 -6.401 -4.522 1.00 0.00 C ATOM 0 H THR A 74 -0.742 -5.761 -1.893 1.00 0.00 H new ATOM 0 HA THR A 74 -3.314 -7.238 -1.782 1.00 0.00 H new ATOM 0 HB THR A 74 -3.074 -8.277 -3.620 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.294 -7.567 -3.878 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.408 -6.759 -5.551 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.409 -5.939 -4.329 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.651 -5.665 -4.369 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.158 -9.123 -0.567 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.566 -10.124 0.322 1.00 0.00 C ATOM 1124 C PHE A 75 -2.038 -11.532 -0.081 1.00 0.00 C ATOM 1125 O PHE A 75 -3.237 -11.762 -0.143 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.954 -9.796 1.767 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.739 -10.963 2.698 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.430 -11.284 3.076 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.806 -11.798 3.081 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.178 -12.425 3.838 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.550 -12.959 3.832 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.230 -13.278 4.200 1.00 0.00 C ATOM 0 H PHE A 75 -3.170 -9.215 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.479 -10.105 0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.368 -8.945 2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.001 -9.496 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.388 -10.646 2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.818 -11.548 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.831 -12.652 4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.365 -13.604 4.126 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.027 -14.179 4.761 1.00 0.00 H new ATOM 1142 N SER A 76 -1.131 -12.478 -0.327 1.00 0.00 N ATOM 1143 CA SER A 76 -1.398 -13.857 -0.794 1.00 0.00 C ATOM 1144 C SER A 76 -0.755 -14.936 0.076 1.00 0.00 C ATOM 1145 O SER A 76 0.362 -14.771 0.542 1.00 0.00 O ATOM 1146 CB SER A 76 -0.857 -14.048 -2.221 1.00 0.00 C ATOM 1147 OG SER A 76 -1.821 -13.727 -3.201 1.00 0.00 O ATOM 0 H SER A 76 -0.134 -12.303 -0.202 1.00 0.00 H new ATOM 0 HA SER A 76 -2.481 -13.972 -0.745 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.024 -13.422 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.538 -15.082 -2.352 1.00 0.00 H new ATOM 0 HG SER A 76 -1.437 -13.860 -4.093 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.427 -16.069 0.283 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.860 -17.225 1.015 1.00 0.00 C ATOM 1155 C ILE A 77 -0.605 -18.390 0.049 1.00 0.00 C ATOM 1156 O ILE A 77 -1.531 -18.860 -0.617 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.740 -17.652 2.210 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.995 -16.431 3.115 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.073 -18.829 2.950 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.453 -16.742 4.543 1.00 0.00 C ATOM 0 H ILE A 77 -2.380 -16.221 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 77 0.095 -16.915 1.440 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.713 -18.007 1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.078 -15.844 3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.749 -15.803 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.696 -19.129 3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.958 -19.670 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.093 -18.521 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.602 -15.810 5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.390 -17.298 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.693 -17.340 5.047 1.00 0.00 H new ATOM 1172 N MET A 78 0.648 -18.861 -0.015 1.00 0.00 N ATOM 1173 CA MET A 78 1.078 -20.000 -0.840 1.00 0.00 C ATOM 1174 C MET A 78 1.664 -21.155 -0.014 1.00 0.00 C ATOM 1175 O MET A 78 2.725 -21.001 0.581 1.00 0.00 O ATOM 1176 CB MET A 78 2.046 -19.546 -1.951 1.00 0.00 C ATOM 1177 CG MET A 78 3.195 -18.635 -1.482 1.00 0.00 C ATOM 1178 SD MET A 78 4.633 -18.521 -2.590 1.00 0.00 S ATOM 1179 CE MET A 78 3.838 -18.335 -4.207 1.00 0.00 C ATOM 0 H MET A 78 1.412 -18.449 0.520 1.00 0.00 H new ATOM 0 HA MET A 78 0.180 -20.397 -1.314 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.474 -20.431 -2.423 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.475 -19.020 -2.717 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.797 -17.631 -1.333 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.539 -18.990 -0.510 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.594 -18.112 -4.960 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.326 -19.261 -4.469 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.115 -17.520 -4.166 1.00 0.00 H new ATOM 1189 N ASP A 79 1.009 -22.321 -0.025 1.00 0.00 N ATOM 1190 CA ASP A 79 1.387 -23.581 0.651 1.00 0.00 C ATOM 1191 C ASP A 79 1.729 -23.469 2.157 1.00 0.00 C ATOM 1192 O ASP A 79 0.902 -23.809 3.003 1.00 0.00 O ATOM 1193 CB ASP A 79 2.522 -24.265 -0.128 1.00 0.00 C ATOM 1194 CG ASP A 79 2.085 -24.708 -1.535 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.263 -25.649 -1.643 1.00 0.00 O ATOM 1196 OD2 ASP A 79 2.569 -24.131 -2.538 1.00 0.00 O ATOM 0 H ASP A 79 0.136 -22.423 -0.543 1.00 0.00 H new ATOM 0 HA ASP A 79 0.486 -24.195 0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.366 -23.580 -0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.871 -25.133 0.431 1.00 0.00 H new ATOM 1201 N GLU A 80 2.923 -22.976 2.497 1.00 0.00 N ATOM 1202 CA GLU A 80 3.430 -22.776 3.864 1.00 0.00 C ATOM 1203 C GLU A 80 4.020 -21.369 4.063 1.00 0.00 C ATOM 1204 O GLU A 80 4.692 -21.125 5.064 1.00 0.00 O ATOM 1205 CB GLU A 80 4.536 -23.788 4.220 1.00 0.00 C ATOM 1206 CG GLU A 80 4.307 -25.253 3.822 1.00 0.00 C ATOM 1207 CD GLU A 80 3.080 -25.914 4.488 1.00 0.00 C ATOM 1208 OE1 GLU A 80 2.776 -25.625 5.672 1.00 0.00 O ATOM 1209 OE2 GLU A 80 2.448 -26.790 3.847 1.00 0.00 O ATOM 0 H GLU A 80 3.601 -22.689 1.791 1.00 0.00 H new ATOM 0 HA GLU A 80 2.566 -22.915 4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.462 -23.453 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.691 -23.752 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.191 -25.308 2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.197 -25.829 4.077 1.00 0.00 H new ATOM 1216 N PHE A 81 3.835 -20.438 3.123 1.00 0.00 N ATOM 1217 CA PHE A 81 4.425 -19.102 3.233 1.00 0.00 C ATOM 1218 C PHE A 81 3.340 -18.048 2.961 1.00 0.00 C ATOM 1219 O PHE A 81 2.249 -18.343 2.467 1.00 0.00 O ATOM 1220 CB PHE A 81 5.543 -18.886 2.189 1.00 0.00 C ATOM 1221 CG PHE A 81 6.324 -20.104 1.735 1.00 0.00 C ATOM 1222 CD1 PHE A 81 6.992 -20.960 2.626 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.290 -20.417 0.366 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.646 -22.108 2.139 1.00 0.00 C ATOM 1225 CE2 PHE A 81 6.929 -21.564 -0.126 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.617 -22.409 0.764 1.00 0.00 C ATOM 0 H PHE A 81 3.282 -20.585 2.279 1.00 0.00 H new ATOM 0 HA PHE A 81 4.841 -19.008 4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.096 -18.426 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.251 -18.166 2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.004 -20.738 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.765 -19.766 -0.317 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.171 -22.759 2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.893 -21.797 -1.180 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.123 -23.288 0.393 1.00 0.00 H new ATOM 1236 N GLN A 82 3.677 -16.793 3.221 1.00 0.00 N ATOM 1237 CA GLN A 82 2.825 -15.629 2.999 1.00 0.00 C ATOM 1238 C GLN A 82 3.557 -14.630 2.120 1.00 0.00 C ATOM 1239 O GLN A 82 4.752 -14.437 2.290 1.00 0.00 O ATOM 1240 CB GLN A 82 2.472 -14.943 4.321 1.00 0.00 C ATOM 1241 CG GLN A 82 2.401 -15.836 5.543 1.00 0.00 C ATOM 1242 CD GLN A 82 1.827 -15.101 6.742 1.00 0.00 C ATOM 1243 OE1 GLN A 82 2.289 -14.046 7.156 1.00 0.00 O ATOM 1244 NE2 GLN A 82 0.778 -15.637 7.315 1.00 0.00 N ATOM 0 H GLN A 82 4.588 -16.546 3.608 1.00 0.00 H new ATOM 0 HA GLN A 82 1.907 -15.968 2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.210 -14.163 4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.508 -14.448 4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.785 -16.708 5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.399 -16.203 5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.399 -16.516 6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.340 -15.175 8.112 1.00 0.00 H new ATOM 1253 N GLU A 83 2.837 -13.957 1.241 1.00 0.00 N ATOM 1254 CA GLU A 83 3.328 -12.964 0.291 1.00 0.00 C ATOM 1255 C GLU A 83 2.617 -11.640 0.532 1.00 0.00 C ATOM 1256 O GLU A 83 1.391 -11.570 0.556 1.00 0.00 O ATOM 1257 CB GLU A 83 3.029 -13.389 -1.161 1.00 0.00 C ATOM 1258 CG GLU A 83 4.099 -14.283 -1.787 1.00 0.00 C ATOM 1259 CD GLU A 83 3.782 -14.581 -3.268 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.637 -14.983 -3.589 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.679 -14.404 -4.129 1.00 0.00 O ATOM 0 H GLU A 83 1.829 -14.095 1.163 1.00 0.00 H new ATOM 0 HA GLU A 83 4.405 -12.871 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.074 -13.914 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.916 -12.494 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.072 -13.797 -1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.166 -15.218 -1.231 1.00 0.00 H new ATOM 1268 N TYR A 84 3.399 -10.581 0.657 1.00 0.00 N ATOM 1269 CA TYR A 84 2.931 -9.217 0.857 1.00 0.00 C ATOM 1270 C TYR A 84 3.439 -8.350 -0.277 1.00 0.00 C ATOM 1271 O TYR A 84 4.633 -8.375 -0.573 1.00 0.00 O ATOM 1272 CB TYR A 84 3.498 -8.665 2.162 1.00 0.00 C ATOM 1273 CG TYR A 84 2.957 -9.352 3.400 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.560 -10.534 3.879 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.806 -8.843 4.031 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.029 -11.193 5.004 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.292 -9.481 5.176 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.907 -10.655 5.671 1.00 0.00 C ATOM 1279 OH TYR A 84 1.389 -11.301 6.751 1.00 0.00 O ATOM 0 H TYR A 84 4.416 -10.649 0.621 1.00 0.00 H new ATOM 0 HA TYR A 84 1.841 -9.214 0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.583 -8.764 2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.276 -7.599 2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.431 -10.934 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.318 -7.964 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.479 -12.109 5.356 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.427 -9.073 5.677 1.00 0.00 H new ATOM 0 HH TYR A 84 1.753 -12.210 6.794 1.00 0.00 H new ATOM 1289 N THR A 85 2.558 -7.583 -0.910 1.00 0.00 N ATOM 1290 CA THR A 85 2.945 -6.668 -1.984 1.00 0.00 C ATOM 1291 C THR A 85 2.165 -5.359 -1.840 1.00 0.00 C ATOM 1292 O THR A 85 0.994 -5.333 -1.465 1.00 0.00 O ATOM 1293 CB THR A 85 2.780 -7.273 -3.399 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.501 -7.023 -3.942 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.943 -8.802 -3.466 1.00 0.00 C ATOM 0 H THR A 85 1.561 -7.576 -0.697 1.00 0.00 H new ATOM 0 HA THR A 85 4.012 -6.473 -1.880 1.00 0.00 H new ATOM 0 HB THR A 85 3.578 -6.784 -3.958 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.441 -7.421 -4.836 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.811 -9.137 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.939 -9.077 -3.120 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.194 -9.276 -2.831 1.00 0.00 H new ATOM 1303 N MET A 86 2.816 -4.246 -2.129 1.00 0.00 N ATOM 1304 CA MET A 86 2.255 -2.898 -2.101 1.00 0.00 C ATOM 1305 C MET A 86 2.750 -2.124 -3.320 1.00 0.00 C ATOM 1306 O MET A 86 3.880 -2.303 -3.776 1.00 0.00 O ATOM 1307 CB MET A 86 2.639 -2.221 -0.783 1.00 0.00 C ATOM 1308 CG MET A 86 2.186 -0.763 -0.693 1.00 0.00 C ATOM 1309 SD MET A 86 2.675 0.082 0.833 1.00 0.00 S ATOM 1310 CE MET A 86 4.369 0.562 0.386 1.00 0.00 C ATOM 0 H MET A 86 3.798 -4.253 -2.403 1.00 0.00 H new ATOM 0 HA MET A 86 1.167 -2.928 -2.150 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.203 -2.781 0.045 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.721 -2.265 -0.663 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.594 -0.216 -1.543 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.100 -0.727 -0.782 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.886 0.937 1.269 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.902 -0.305 -0.005 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.337 1.342 -0.375 1.00 0.00 H new ATOM 1320 N LEU A 87 1.877 -1.269 -3.837 1.00 0.00 N ATOM 1321 CA LEU A 87 2.093 -0.411 -5.000 1.00 0.00 C ATOM 1322 C LEU A 87 1.243 0.873 -4.877 1.00 0.00 C ATOM 1323 O LEU A 87 0.030 0.860 -5.088 1.00 0.00 O ATOM 1324 CB LEU A 87 1.698 -1.203 -6.260 1.00 0.00 C ATOM 1325 CG LEU A 87 2.065 -0.490 -7.563 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.491 -0.829 -7.971 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.131 -0.865 -8.709 1.00 0.00 C ATOM 0 H LEU A 87 0.947 -1.147 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 87 3.140 -0.115 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.187 -2.177 -6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.623 -1.385 -6.244 1.00 0.00 H new ATOM 0 HG LEU A 87 1.968 0.579 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.736 -0.314 -8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.179 -0.511 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.581 -1.905 -8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.432 -0.334 -9.612 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.184 -1.939 -8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.109 -0.590 -8.450 1.00 0.00 H new ATOM 1339 N CYS A 88 1.892 1.983 -4.554 1.00 0.00 N ATOM 1340 CA CYS A 88 1.309 3.312 -4.408 1.00 0.00 C ATOM 1341 C CYS A 88 2.275 4.372 -4.959 1.00 0.00 C ATOM 1342 O CYS A 88 3.483 4.320 -4.696 1.00 0.00 O ATOM 1343 CB CYS A 88 1.033 3.577 -2.924 1.00 0.00 C ATOM 1344 SG CYS A 88 0.453 5.289 -2.660 1.00 0.00 S ATOM 0 H CYS A 88 2.896 1.981 -4.377 1.00 0.00 H new ATOM 0 HA CYS A 88 0.376 3.365 -4.969 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.283 2.875 -2.559 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.940 3.404 -2.345 1.00 0.00 H new ATOM 1349 N LEU A 89 1.740 5.342 -5.705 1.00 0.00 N ATOM 1350 CA LEU A 89 2.497 6.467 -6.257 1.00 0.00 C ATOM 1351 C LEU A 89 3.161 7.310 -5.153 1.00 0.00 C ATOM 1352 O LEU A 89 4.272 7.806 -5.358 1.00 0.00 O ATOM 1353 CB LEU A 89 1.548 7.302 -7.144 1.00 0.00 C ATOM 1354 CG LEU A 89 2.093 8.662 -7.614 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.312 8.536 -8.510 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.067 9.443 -8.434 1.00 0.00 C ATOM 0 H LEU A 89 0.749 5.367 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 89 3.319 6.092 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.290 6.712 -8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.623 7.473 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 89 2.344 9.177 -6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.649 9.529 -8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.111 8.029 -7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.053 7.959 -9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.497 10.396 -8.743 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.791 8.866 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.180 9.625 -7.828 1.00 0.00 H new ATOM 1368 N LEU A 90 2.518 7.434 -3.990 1.00 0.00 N ATOM 1369 CA LEU A 90 3.008 8.181 -2.837 1.00 0.00 C ATOM 1370 C LEU A 90 3.708 7.262 -1.837 1.00 0.00 C ATOM 1371 O LEU A 90 4.891 7.454 -1.555 1.00 0.00 O ATOM 1372 CB LEU A 90 1.808 8.865 -2.152 1.00 0.00 C ATOM 1373 CG LEU A 90 2.128 9.463 -0.768 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.232 10.511 -0.846 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.888 10.102 -0.150 1.00 0.00 C ATOM 0 H LEU A 90 1.610 7.000 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 90 3.733 8.921 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.437 9.658 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.003 8.138 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 90 2.468 8.637 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.428 10.908 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.140 10.054 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.919 11.321 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.140 10.517 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.527 10.899 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.110 9.348 -0.034 1.00 0.00 H new ATOM 1387 N CYS A 91 2.975 6.315 -1.268 1.00 0.00 N ATOM 1388 CA CYS A 91 3.451 5.456 -0.204 1.00 0.00 C ATOM 1389 C CYS A 91 4.598 4.539 -0.639 1.00 0.00 C ATOM 1390 O CYS A 91 5.552 4.358 0.123 1.00 0.00 O ATOM 1391 CB CYS A 91 2.266 4.687 0.383 1.00 0.00 C ATOM 1392 SG CYS A 91 1.024 5.836 1.046 1.00 0.00 S ATOM 0 H CYS A 91 2.012 6.122 -1.543 1.00 0.00 H new ATOM 0 HA CYS A 91 3.886 6.080 0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.815 4.060 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.613 4.022 1.174 1.00 0.00 H new ATOM 1397 N GLY A 92 4.538 4.005 -1.862 1.00 0.00 N ATOM 1398 CA GLY A 92 5.628 3.231 -2.447 1.00 0.00 C ATOM 1399 C GLY A 92 5.287 1.875 -3.054 1.00 0.00 C ATOM 1400 O GLY A 92 4.171 1.368 -2.936 1.00 0.00 O ATOM 0 H GLY A 92 3.727 4.100 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.092 3.839 -3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.380 3.073 -1.674 1.00 0.00 H new ATOM 1404 N LYS A 93 6.302 1.259 -3.668 1.00 0.00 N ATOM 1405 CA LYS A 93 6.255 -0.099 -4.220 1.00 0.00 C ATOM 1406 C LYS A 93 7.182 -1.013 -3.425 1.00 0.00 C ATOM 1407 O LYS A 93 8.394 -0.800 -3.393 1.00 0.00 O ATOM 1408 CB LYS A 93 6.590 -0.083 -5.711 1.00 0.00 C ATOM 1409 CG LYS A 93 6.754 -1.502 -6.292 1.00 0.00 C ATOM 1410 CD LYS A 93 7.111 -1.445 -7.786 1.00 0.00 C ATOM 1411 CE LYS A 93 7.070 -2.825 -8.461 1.00 0.00 C ATOM 1412 NZ LYS A 93 8.161 -3.726 -8.000 1.00 0.00 N ATOM 0 H LYS A 93 7.209 1.707 -3.799 1.00 0.00 H new ATOM 0 HA LYS A 93 5.244 -0.496 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.801 0.439 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.510 0.479 -5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.534 -2.034 -5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.830 -2.064 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.418 -0.776 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.108 -1.019 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.107 -3.295 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.142 -2.698 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.085 -4.641 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.082 -3.294 -8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.080 -3.873 -6.974 1.00 0.00 H new ATOM 1426 N ALA A 94 6.609 -2.022 -2.782 1.00 0.00 N ATOM 1427 CA ALA A 94 7.327 -2.972 -1.944 1.00 0.00 C ATOM 1428 C ALA A 94 6.783 -4.410 -2.028 1.00 0.00 C ATOM 1429 O ALA A 94 5.627 -4.624 -2.388 1.00 0.00 O ATOM 1430 CB ALA A 94 7.297 -2.443 -0.509 1.00 0.00 C ATOM 0 H ALA A 94 5.607 -2.207 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 94 8.351 -3.048 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.828 -3.135 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.778 -1.466 -0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.263 -2.351 -0.177 1.00 0.00 H new ATOM 1436 N GLU A 95 7.617 -5.397 -1.692 1.00 0.00 N ATOM 1437 CA GLU A 95 7.242 -6.816 -1.648 1.00 0.00 C ATOM 1438 C GLU A 95 8.064 -7.577 -0.591 1.00 0.00 C ATOM 1439 O GLU A 95 9.271 -7.363 -0.455 1.00 0.00 O ATOM 1440 CB GLU A 95 7.432 -7.421 -3.047 1.00 0.00 C ATOM 1441 CG GLU A 95 7.150 -8.926 -3.146 1.00 0.00 C ATOM 1442 CD GLU A 95 7.308 -9.410 -4.602 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.339 -9.306 -5.392 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.407 -9.893 -4.969 1.00 0.00 O ATOM 0 H GLU A 95 8.591 -5.231 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 95 6.196 -6.906 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.778 -6.897 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.456 -7.236 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.834 -9.474 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.140 -9.137 -2.794 1.00 0.00 H new ATOM 1451 N ASP A 96 7.407 -8.470 0.152 1.00 0.00 N ATOM 1452 CA ASP A 96 7.986 -9.330 1.185 1.00 0.00 C ATOM 1453 C ASP A 96 7.361 -10.734 1.174 1.00 0.00 C ATOM 1454 O ASP A 96 6.192 -10.888 0.822 1.00 0.00 O ATOM 1455 CB ASP A 96 7.770 -8.706 2.573 1.00 0.00 C ATOM 1456 CG ASP A 96 8.700 -9.337 3.618 1.00 0.00 C ATOM 1457 OD1 ASP A 96 9.935 -9.338 3.396 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.203 -9.822 4.660 1.00 0.00 O ATOM 0 H ASP A 96 6.404 -8.620 0.043 1.00 0.00 H new ATOM 0 HA ASP A 96 9.051 -9.420 0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.950 -7.632 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.732 -8.841 2.878 1.00 0.00 H new ATOM 1463 N THR A 97 8.104 -11.753 1.614 1.00 0.00 N ATOM 1464 CA THR A 97 7.577 -13.119 1.765 1.00 0.00 C ATOM 1465 C THR A 97 8.029 -13.725 3.099 1.00 0.00 C ATOM 1466 O THR A 97 9.201 -13.612 3.464 1.00 0.00 O ATOM 1467 CB THR A 97 7.970 -14.048 0.602 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.029 -13.380 -0.645 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.962 -15.182 0.431 1.00 0.00 C ATOM 0 H THR A 97 9.085 -11.659 1.876 1.00 0.00 H new ATOM 0 HA THR A 97 6.490 -13.035 1.751 1.00 0.00 H new ATOM 0 HB THR A 97 8.957 -14.424 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.284 -14.016 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.269 -15.820 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.920 -15.772 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.977 -14.765 0.223 1.00 0.00 H new ATOM 1477 N ILE A 98 7.107 -14.357 3.837 1.00 0.00 N ATOM 1478 CA ILE A 98 7.342 -14.951 5.165 1.00 0.00 C ATOM 1479 C ILE A 98 7.006 -16.438 5.168 1.00 0.00 C ATOM 1480 O ILE A 98 5.887 -16.811 4.838 1.00 0.00 O ATOM 1481 CB ILE A 98 6.480 -14.263 6.256 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.435 -12.729 6.106 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.016 -14.652 7.642 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.676 -11.985 7.214 1.00 0.00 C ATOM 0 H ILE A 98 6.145 -14.474 3.518 1.00 0.00 H new ATOM 0 HA ILE A 98 8.399 -14.805 5.386 1.00 0.00 H new ATOM 0 HB ILE A 98 5.454 -14.612 6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.458 -12.353 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.975 -12.487 5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.414 -14.171 8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.963 -15.734 7.762 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.052 -14.327 7.736 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.702 -10.913 7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.640 -12.324 7.237 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.146 -12.188 8.176 1.00 0.00 H new ATOM 1496 N SER A 99 7.917 -17.295 5.615 1.00 0.00 N ATOM 1497 CA SER A 99 7.635 -18.726 5.794 1.00 0.00 C ATOM 1498 C SER A 99 6.956 -18.933 7.154 1.00 0.00 C ATOM 1499 O SER A 99 7.396 -18.381 8.168 1.00 0.00 O ATOM 1500 CB SER A 99 8.903 -19.566 5.622 1.00 0.00 C ATOM 1501 OG SER A 99 9.970 -19.092 6.432 1.00 0.00 O ATOM 0 H SER A 99 8.869 -17.026 5.864 1.00 0.00 H new ATOM 0 HA SER A 99 6.949 -19.070 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.688 -20.604 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.208 -19.552 4.576 1.00 0.00 H new ATOM 0 HG SER A 99 10.760 -19.655 6.295 1.00 0.00 H new ATOM 1507 N ILE A 100 5.848 -19.683 7.182 1.00 0.00 N ATOM 1508 CA ILE A 100 5.007 -19.873 8.374 1.00 0.00 C ATOM 1509 C ILE A 100 4.604 -21.336 8.639 1.00 0.00 C ATOM 1510 O ILE A 100 4.956 -22.261 7.905 1.00 0.00 O ATOM 1511 CB ILE A 100 3.780 -18.910 8.331 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.873 -18.998 7.082 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.251 -17.453 8.484 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.047 -20.282 6.943 1.00 0.00 C ATOM 0 H ILE A 100 5.503 -20.184 6.364 1.00 0.00 H new ATOM 0 HA ILE A 100 5.622 -19.610 9.234 1.00 0.00 H new ATOM 0 HB ILE A 100 3.161 -19.244 9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.190 -18.149 7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.498 -18.893 6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.389 -16.787 8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.766 -17.335 9.437 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.932 -17.203 7.670 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.450 -20.234 6.032 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.716 -21.141 6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.387 -20.385 7.805 1.00 0.00 H new ATOM 1526 N LEU A 101 3.842 -21.525 9.717 1.00 0.00 N ATOM 1527 CA LEU A 101 3.263 -22.781 10.207 1.00 0.00 C ATOM 1528 C LEU A 101 1.726 -22.616 10.276 1.00 0.00 C ATOM 1529 O LEU A 101 1.243 -21.477 10.277 1.00 0.00 O ATOM 1530 CB LEU A 101 3.844 -23.073 11.614 1.00 0.00 C ATOM 1531 CG LEU A 101 5.161 -23.874 11.651 1.00 0.00 C ATOM 1532 CD1 LEU A 101 6.373 -23.089 11.147 1.00 0.00 C ATOM 1533 CD2 LEU A 101 5.456 -24.288 13.093 1.00 0.00 C ATOM 0 H LEU A 101 3.592 -20.741 10.320 1.00 0.00 H new ATOM 0 HA LEU A 101 3.503 -23.612 9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.006 -22.122 12.122 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.095 -23.618 12.188 1.00 0.00 H new ATOM 0 HG LEU A 101 5.014 -24.728 10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.262 -23.717 11.203 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.206 -22.787 10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.515 -22.203 11.765 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.386 -24.855 13.126 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.551 -23.398 13.715 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.641 -24.907 13.468 1.00 0.00 H new ATOM 1545 N PRO A 102 0.932 -23.703 10.371 1.00 0.00 N ATOM 1546 CA PRO A 102 -0.535 -23.624 10.452 1.00 0.00 C ATOM 1547 C PRO A 102 -1.073 -22.815 11.652 1.00 0.00 C ATOM 1548 O PRO A 102 -2.233 -22.401 11.647 1.00 0.00 O ATOM 1549 CB PRO A 102 -1.029 -25.075 10.441 1.00 0.00 C ATOM 1550 CG PRO A 102 0.168 -25.878 10.941 1.00 0.00 C ATOM 1551 CD PRO A 102 1.358 -25.097 10.389 1.00 0.00 C ATOM 0 HA PRO A 102 -0.922 -23.059 9.604 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.896 -25.206 11.089 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.329 -25.387 9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.191 -25.933 12.029 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.150 -26.903 10.570 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.240 -25.230 11.016 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.623 -25.440 9.389 1.00 0.00 H new ATOM 1559 N ASP A 103 -0.236 -22.541 12.659 1.00 0.00 N ATOM 1560 CA ASP A 103 -0.549 -21.699 13.824 1.00 0.00 C ATOM 1561 C ASP A 103 -0.520 -20.179 13.509 1.00 0.00 C ATOM 1562 O ASP A 103 -0.802 -19.359 14.384 1.00 0.00 O ATOM 1563 CB ASP A 103 0.449 -22.023 14.949 1.00 0.00 C ATOM 1564 CG ASP A 103 0.298 -23.467 15.455 1.00 0.00 C ATOM 1565 OD1 ASP A 103 -0.642 -23.737 16.243 1.00 0.00 O ATOM 1566 OD2 ASP A 103 1.123 -24.332 15.078 1.00 0.00 O ATOM 0 H ASP A 103 0.714 -22.912 12.688 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.570 -21.926 14.130 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.466 -21.870 14.587 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.298 -21.331 15.778 1.00 0.00 H new ATOM 1571 N ASP A 104 -0.176 -19.795 12.271 1.00 0.00 N ATOM 1572 CA ASP A 104 -0.050 -18.415 11.768 1.00 0.00 C ATOM 1573 C ASP A 104 0.824 -17.473 12.649 1.00 0.00 C ATOM 1574 O ASP A 104 0.355 -16.412 13.082 1.00 0.00 O ATOM 1575 CB ASP A 104 -1.452 -17.864 11.428 1.00 0.00 C ATOM 1576 CG ASP A 104 -1.412 -16.568 10.603 1.00 0.00 C ATOM 1577 OD1 ASP A 104 -0.409 -16.311 9.902 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -2.398 -15.793 10.608 1.00 0.00 O ATOM 0 H ASP A 104 0.035 -20.482 11.547 1.00 0.00 H new ATOM 0 HA ASP A 104 0.531 -18.449 10.846 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.008 -18.621 10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.997 -17.680 12.354 1.00 0.00 H new ATOM 1583 N PRO A 105 2.093 -17.837 12.953 1.00 0.00 N ATOM 1584 CA PRO A 105 2.990 -17.047 13.810 1.00 0.00 C ATOM 1585 C PRO A 105 3.578 -15.776 13.162 1.00 0.00 C ATOM 1586 O PRO A 105 4.026 -14.881 13.881 1.00 0.00 O ATOM 1587 CB PRO A 105 4.115 -18.020 14.188 1.00 0.00 C ATOM 1588 CG PRO A 105 4.225 -18.922 12.960 1.00 0.00 C ATOM 1589 CD PRO A 105 2.766 -19.061 12.528 1.00 0.00 C ATOM 0 HA PRO A 105 2.425 -16.658 14.657 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.050 -17.496 14.388 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.870 -18.589 15.085 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.839 -18.473 12.179 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.671 -19.886 13.202 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.691 -19.191 11.448 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.307 -19.936 12.987 1.00 0.00 H new ATOM 1597 N ARG A 106 3.594 -15.689 11.819 1.00 0.00 N ATOM 1598 CA ARG A 106 4.127 -14.566 11.003 1.00 0.00 C ATOM 1599 C ARG A 106 5.521 -14.054 11.420 1.00 0.00 C ATOM 1600 O ARG A 106 5.799 -12.856 11.354 1.00 0.00 O ATOM 1601 CB ARG A 106 3.079 -13.436 10.879 1.00 0.00 C ATOM 1602 CG ARG A 106 1.706 -13.979 10.466 1.00 0.00 C ATOM 1603 CD ARG A 106 0.768 -12.907 9.907 1.00 0.00 C ATOM 1604 NE ARG A 106 -0.517 -13.527 9.547 1.00 0.00 N ATOM 1605 CZ ARG A 106 -1.419 -13.143 8.668 1.00 0.00 C ATOM 1606 NH1 ARG A 106 -1.250 -12.139 7.855 1.00 0.00 N ATOM 1607 NH2 ARG A 106 -2.529 -13.815 8.607 1.00 0.00 N ATOM 0 H ARG A 106 3.217 -16.437 11.236 1.00 0.00 H new ATOM 0 HA ARG A 106 4.305 -14.979 10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 106 2.992 -12.914 11.832 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.417 -12.705 10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.843 -14.758 9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.235 -14.448 11.330 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.612 -12.122 10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.216 -12.436 9.032 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.743 -14.382 10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.382 -11.604 7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.986 -11.888 7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.678 -14.611 9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.251 -13.547 7.938 1.00 0.00 H new ATOM 1621 N GLN A 107 6.400 -14.969 11.845 1.00 0.00 N ATOM 1622 CA GLN A 107 7.777 -14.716 12.306 1.00 0.00 C ATOM 1623 C GLN A 107 7.897 -13.477 13.210 1.00 0.00 C ATOM 1624 O GLN A 107 8.212 -13.590 14.403 1.00 0.00 O ATOM 1625 CB GLN A 107 8.731 -14.600 11.100 1.00 0.00 C ATOM 1626 CG GLN A 107 8.809 -15.864 10.223 1.00 0.00 C ATOM 1627 CD GLN A 107 9.430 -17.084 10.910 1.00 0.00 C ATOM 1628 OE1 GLN A 107 10.159 -16.999 11.892 1.00 0.00 O ATOM 1629 NE2 GLN A 107 9.161 -18.272 10.420 1.00 0.00 N ATOM 0 H GLN A 107 6.161 -15.960 11.880 1.00 0.00 H new ATOM 0 HA GLN A 107 8.064 -15.571 12.918 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.412 -13.762 10.480 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.731 -14.364 11.465 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.803 -16.123 9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.388 -15.634 9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.556 -18.362 9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.557 -19.105 10.856 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.785 17.446 -6.436 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.255 20.092 -3.750 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.469 5.323 -0.593 1.00 0.00 ZN