USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 THR OG1 : rot 180:sc= 0.799 USER MOD Set 1.2: A 105 LYS NZ :NH3+ 137:sc= 0.936 (180deg=0) USER MOD Set 2.1: A 83 THR OG1 : rot 76:sc= 0.328 USER MOD Set 2.2: A 101 LYS NZ :NH3+ -129:sc= -0.453 (180deg=-3.14!) USER MOD Set 3.1: A 93 GLN : amide:sc= 0.867 K(o=1.9,f=-2.9) USER MOD Set 3.2: A 96 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0) USER MOD Set 4.1: A 17 TYR OH : rot 180:sc= 0.378 USER MOD Set 4.2: A 110 ASN : amide:sc= 0.16 K(o=0.54,f=-0.36) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot -84:sc=0.000106 USER MOD Single : A 18 ASN : amide:sc= 0.0329 K(o=0.033,f=-0.68) USER MOD Single : A 25 SER OG : rot -95:sc= 0.929 USER MOD Single : A 31 THR OG1 : rot -64:sc= 1.15 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 32:sc= 1.59 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 30:sc= 0.505 USER MOD Single : A 44 GLN :FLIP amide:sc= -1.01 F(o=-2,f=-1) USER MOD Single : A 48 TYR OH : rot 160:sc= 1.04 USER MOD Single : A 49 GLN : amide:sc= 0.869 K(o=0.87,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.6) USER MOD Single : A 54 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.25) USER MOD Single : A 55 CYS SG : rot -120:sc= -0.492 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 32:sc= 0.126 USER MOD Single : A 75 LYS NZ :NH3+ -167:sc=-0.00362 (180deg=-0.137) USER MOD Single : A 77 SER OG : rot -112:sc= 0.0619 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 85:sc= 0.424 USER MOD Single : A 109 GLN : amide:sc=-0.00262 X(o=-0.0026,f=-0.43) USER MOD Single : A 113 LYS NZ :NH3+ -168:sc= -0.0086 (180deg=-0.135) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0738) USER MOD Single : A 129 LYS NZ :NH3+ 178:sc= 1.13 (180deg=1.09) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N ALA A 5 -0.747 -20.070 -0.238 1.00 0.00 N ATOM 68 CA ALA A 5 -0.307 -21.035 0.769 1.00 0.00 C ATOM 69 C ALA A 5 1.200 -20.902 1.054 1.00 0.00 C ATOM 70 O ALA A 5 1.970 -21.849 0.895 1.00 0.00 O ATOM 71 CB ALA A 5 -0.696 -22.452 0.322 1.00 0.00 C ATOM 0 HA ALA A 5 -0.811 -20.826 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.369 -23.173 1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.778 -22.513 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.217 -22.677 -0.631 1.00 0.00 H new ATOM 77 N THR A 6 1.616 -19.721 1.492 1.00 0.00 N ATOM 78 CA THR A 6 2.968 -19.358 1.903 1.00 0.00 C ATOM 79 C THR A 6 2.810 -18.574 3.216 1.00 0.00 C ATOM 80 O THR A 6 1.682 -18.242 3.608 1.00 0.00 O ATOM 81 CB THR A 6 3.642 -18.571 0.756 1.00 0.00 C ATOM 82 OG1 THR A 6 3.424 -19.187 -0.501 1.00 0.00 O ATOM 83 CG2 THR A 6 5.157 -18.425 0.912 1.00 0.00 C ATOM 0 H THR A 6 0.972 -18.934 1.576 1.00 0.00 H new ATOM 0 HA THR A 6 3.623 -20.209 2.090 1.00 0.00 H new ATOM 0 HB THR A 6 3.177 -17.586 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.863 -18.662 -1.203 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.557 -17.862 0.069 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.378 -17.896 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.617 -19.413 0.939 1.00 0.00 H new ATOM 91 N LYS A 7 3.890 -18.304 3.948 1.00 0.00 N ATOM 92 CA LYS A 7 3.827 -17.593 5.232 1.00 0.00 C ATOM 93 C LYS A 7 4.975 -16.604 5.301 1.00 0.00 C ATOM 94 O LYS A 7 5.854 -16.626 4.440 1.00 0.00 O ATOM 95 CB LYS A 7 3.832 -18.636 6.367 1.00 0.00 C ATOM 96 CG LYS A 7 3.565 -18.075 7.778 1.00 0.00 C ATOM 97 CD LYS A 7 3.030 -19.180 8.699 1.00 0.00 C ATOM 98 CE LYS A 7 2.746 -18.718 10.134 1.00 0.00 C ATOM 99 NZ LYS A 7 3.972 -18.515 10.936 1.00 0.00 N ATOM 0 H LYS A 7 4.835 -18.570 3.671 1.00 0.00 H new ATOM 0 HA LYS A 7 2.910 -17.012 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.079 -19.393 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.799 -19.140 6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.484 -17.661 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.845 -17.259 7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.112 -19.582 8.270 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.753 -19.995 8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.182 -17.786 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.115 -19.457 10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.713 -18.204 11.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.501 -19.409 10.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.566 -17.790 10.485 1.00 0.00 H new ATOM 113 N ILE A 8 5.013 -15.752 6.318 1.00 0.00 N ATOM 114 CA ILE A 8 6.075 -14.769 6.506 1.00 0.00 C ATOM 115 C ILE A 8 6.709 -14.990 7.867 1.00 0.00 C ATOM 116 O ILE A 8 6.013 -15.432 8.786 1.00 0.00 O ATOM 117 CB ILE A 8 5.541 -13.329 6.364 1.00 0.00 C ATOM 118 CG1 ILE A 8 4.836 -12.719 7.595 1.00 0.00 C ATOM 119 CG2 ILE A 8 4.643 -13.225 5.130 1.00 0.00 C ATOM 120 CD1 ILE A 8 3.506 -13.334 8.043 1.00 0.00 C ATOM 0 H ILE A 8 4.298 -15.723 7.045 1.00 0.00 H new ATOM 0 HA ILE A 8 6.829 -14.900 5.730 1.00 0.00 H new ATOM 0 HB ILE A 8 6.440 -12.722 6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.528 -12.772 8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.663 -11.662 7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.270 -12.205 5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.216 -13.485 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.802 -13.911 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.134 -12.800 8.918 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.779 -13.257 7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.657 -14.383 8.296 1.00 0.00 H new ATOM 132 N ASP A 9 7.996 -14.687 8.011 1.00 0.00 N ATOM 133 CA ASP A 9 8.663 -14.768 9.302 1.00 0.00 C ATOM 134 C ASP A 9 8.317 -13.446 9.961 1.00 0.00 C ATOM 135 O ASP A 9 9.010 -12.437 9.826 1.00 0.00 O ATOM 136 CB ASP A 9 10.168 -14.969 9.183 1.00 0.00 C ATOM 137 CG ASP A 9 10.789 -15.190 10.563 1.00 0.00 C ATOM 138 OD1 ASP A 9 10.259 -14.713 11.598 1.00 0.00 O ATOM 139 OD2 ASP A 9 11.821 -15.896 10.597 1.00 0.00 O ATOM 0 H ASP A 9 8.597 -14.382 7.246 1.00 0.00 H new ATOM 0 HA ASP A 9 8.335 -15.632 9.879 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.377 -15.826 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.621 -14.098 8.709 1.00 0.00 H new ATOM 144 N LYS A 10 7.153 -13.408 10.602 1.00 0.00 N ATOM 145 CA LYS A 10 6.668 -12.172 11.183 1.00 0.00 C ATOM 146 C LYS A 10 7.571 -11.633 12.275 1.00 0.00 C ATOM 147 O LYS A 10 7.475 -10.445 12.552 1.00 0.00 O ATOM 148 CB LYS A 10 5.193 -12.308 11.606 1.00 0.00 C ATOM 149 CG LYS A 10 5.051 -12.859 13.032 1.00 0.00 C ATOM 150 CD LYS A 10 3.596 -13.130 13.420 1.00 0.00 C ATOM 151 CE LYS A 10 3.557 -13.507 14.903 1.00 0.00 C ATOM 152 NZ LYS A 10 2.182 -13.665 15.415 1.00 0.00 N ATOM 0 H LYS A 10 6.538 -14.212 10.729 1.00 0.00 H new ATOM 0 HA LYS A 10 6.704 -11.407 10.407 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.707 -11.334 11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.676 -12.968 10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.624 -13.782 13.119 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.484 -12.148 13.736 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.983 -12.247 13.236 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.185 -13.936 12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.105 -14.438 15.051 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.070 -12.739 15.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.214 -13.920 16.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.664 -12.770 15.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.698 -14.416 14.883 1.00 0.00 H new ATOM 166 N GLU A 11 8.378 -12.456 12.931 1.00 0.00 N ATOM 167 CA GLU A 11 9.271 -11.984 13.968 1.00 0.00 C ATOM 168 C GLU A 11 10.486 -11.356 13.297 1.00 0.00 C ATOM 169 O GLU A 11 10.730 -10.158 13.469 1.00 0.00 O ATOM 170 CB GLU A 11 9.582 -13.139 14.932 1.00 0.00 C ATOM 171 CG GLU A 11 8.365 -13.305 15.864 1.00 0.00 C ATOM 172 CD GLU A 11 8.204 -14.667 16.539 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.808 -15.682 16.135 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.295 -14.776 17.395 1.00 0.00 O ATOM 0 H GLU A 11 8.429 -13.460 12.758 1.00 0.00 H new ATOM 0 HA GLU A 11 8.823 -11.206 14.587 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.770 -14.060 14.379 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.481 -12.925 15.510 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.424 -12.544 16.642 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.463 -13.101 15.287 1.00 0.00 H new ATOM 181 N ALA A 12 11.193 -12.119 12.460 1.00 0.00 N ATOM 182 CA ALA A 12 12.414 -11.649 11.831 1.00 0.00 C ATOM 183 C ALA A 12 12.150 -10.475 10.893 1.00 0.00 C ATOM 184 O ALA A 12 12.986 -9.568 10.826 1.00 0.00 O ATOM 185 CB ALA A 12 13.099 -12.788 11.076 1.00 0.00 C ATOM 0 H ALA A 12 10.932 -13.072 12.205 1.00 0.00 H new ATOM 0 HA ALA A 12 13.077 -11.298 12.622 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.013 -12.418 10.610 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.345 -13.590 11.772 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.428 -13.169 10.306 1.00 0.00 H new ATOM 191 N CYS A 13 11.010 -10.449 10.187 1.00 0.00 N ATOM 192 CA CYS A 13 10.736 -9.335 9.292 1.00 0.00 C ATOM 193 C CYS A 13 10.214 -8.125 10.066 1.00 0.00 C ATOM 194 O CYS A 13 10.508 -6.989 9.679 1.00 0.00 O ATOM 195 CB CYS A 13 9.771 -9.740 8.176 1.00 0.00 C ATOM 196 SG CYS A 13 10.519 -11.006 7.109 1.00 0.00 S ATOM 0 H CYS A 13 10.287 -11.168 10.221 1.00 0.00 H new ATOM 0 HA CYS A 13 11.677 -9.049 8.822 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.846 -10.122 8.609 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.507 -8.865 7.581 1.00 0.00 H new ATOM 0 HG CYS A 13 11.254 -10.431 6.204 1.00 0.00 H new ATOM 202 N ARG A 14 9.465 -8.325 11.163 1.00 0.00 N ATOM 203 CA ARG A 14 9.029 -7.186 11.969 1.00 0.00 C ATOM 204 C ARG A 14 10.234 -6.532 12.627 1.00 0.00 C ATOM 205 O ARG A 14 10.149 -5.341 12.898 1.00 0.00 O ATOM 206 CB ARG A 14 7.971 -7.567 13.012 1.00 0.00 C ATOM 207 CG ARG A 14 7.291 -6.358 13.676 1.00 0.00 C ATOM 208 CD ARG A 14 6.574 -6.734 14.974 1.00 0.00 C ATOM 209 NE ARG A 14 5.729 -5.627 15.438 1.00 0.00 N ATOM 210 CZ ARG A 14 6.099 -4.446 15.940 1.00 0.00 C ATOM 211 NH1 ARG A 14 7.369 -4.156 16.219 1.00 0.00 N ATOM 212 NH2 ARG A 14 5.152 -3.543 16.136 1.00 0.00 N ATOM 0 H ARG A 14 9.159 -9.238 11.500 1.00 0.00 H new ATOM 0 HA ARG A 14 8.550 -6.472 11.298 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.209 -8.184 12.535 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.439 -8.178 13.784 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.039 -5.593 13.885 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.574 -5.921 12.981 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.963 -7.622 14.814 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.307 -6.985 15.741 1.00 0.00 H new ATOM 0 HE ARG A 14 4.723 -5.781 15.367 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.099 -4.848 16.050 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.611 -3.242 16.602 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.183 -3.762 15.905 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.391 -2.628 16.518 1.00 0.00 H new ATOM 226 N ALA A 15 11.334 -7.247 12.890 1.00 0.00 N ATOM 227 CA ALA A 15 12.534 -6.644 13.446 1.00 0.00 C ATOM 228 C ALA A 15 12.978 -5.480 12.557 1.00 0.00 C ATOM 229 O ALA A 15 12.898 -4.331 12.988 1.00 0.00 O ATOM 230 CB ALA A 15 13.622 -7.697 13.644 1.00 0.00 C ATOM 0 H ALA A 15 11.410 -8.250 12.723 1.00 0.00 H new ATOM 0 HA ALA A 15 12.324 -6.236 14.435 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.512 -7.226 14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.264 -8.466 14.328 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.868 -8.151 12.684 1.00 0.00 H new ATOM 236 N ALA A 16 13.327 -5.759 11.297 1.00 0.00 N ATOM 237 CA ALA A 16 13.769 -4.742 10.342 1.00 0.00 C ATOM 238 C ALA A 16 12.744 -3.616 10.211 1.00 0.00 C ATOM 239 O ALA A 16 13.113 -2.442 10.254 1.00 0.00 O ATOM 240 CB ALA A 16 13.988 -5.389 8.975 1.00 0.00 C ATOM 0 H ALA A 16 13.310 -6.703 10.910 1.00 0.00 H new ATOM 0 HA ALA A 16 14.701 -4.313 10.710 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.317 -4.632 8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.749 -6.165 9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.054 -5.832 8.628 1.00 0.00 H new ATOM 246 N TYR A 17 11.463 -3.970 10.044 1.00 0.00 N ATOM 247 CA TYR A 17 10.381 -2.994 10.003 1.00 0.00 C ATOM 248 C TYR A 17 10.433 -2.068 11.219 1.00 0.00 C ATOM 249 O TYR A 17 10.315 -0.855 11.069 1.00 0.00 O ATOM 250 CB TYR A 17 9.020 -3.702 9.884 1.00 0.00 C ATOM 251 CG TYR A 17 7.847 -2.850 10.353 1.00 0.00 C ATOM 252 CD1 TYR A 17 7.368 -1.775 9.582 1.00 0.00 C ATOM 253 CD2 TYR A 17 7.334 -3.054 11.650 1.00 0.00 C ATOM 254 CE1 TYR A 17 6.432 -0.875 10.124 1.00 0.00 C ATOM 255 CE2 TYR A 17 6.377 -2.179 12.190 1.00 0.00 C ATOM 256 CZ TYR A 17 5.947 -1.062 11.441 1.00 0.00 C ATOM 257 OH TYR A 17 5.072 -0.170 11.981 1.00 0.00 O ATOM 0 H TYR A 17 11.155 -4.936 9.935 1.00 0.00 H new ATOM 0 HA TYR A 17 10.510 -2.372 9.117 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.858 -3.988 8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.046 -4.622 10.467 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.720 -1.640 8.570 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.681 -3.893 12.235 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.083 -0.040 9.534 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.972 -2.360 13.175 1.00 0.00 H new ATOM 0 HH TYR A 17 4.840 -0.449 12.891 1.00 0.00 H new ATOM 267 N ASN A 18 10.598 -2.623 12.419 1.00 0.00 N ATOM 268 CA ASN A 18 10.582 -1.863 13.655 1.00 0.00 C ATOM 269 C ASN A 18 11.741 -0.884 13.717 1.00 0.00 C ATOM 270 O ASN A 18 11.532 0.232 14.190 1.00 0.00 O ATOM 271 CB ASN A 18 10.643 -2.795 14.874 1.00 0.00 C ATOM 272 CG ASN A 18 10.176 -2.094 16.124 1.00 0.00 C ATOM 273 OD1 ASN A 18 9.085 -1.528 16.162 1.00 0.00 O ATOM 274 ND2 ASN A 18 10.956 -2.158 17.175 1.00 0.00 N ATOM 0 H ASN A 18 10.748 -3.623 12.555 1.00 0.00 H new ATOM 0 HA ASN A 18 9.646 -1.304 13.675 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.023 -3.673 14.694 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.665 -3.149 15.013 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.663 -1.732 18.054 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.856 -2.634 17.114 1.00 0.00 H new ATOM 281 N LEU A 19 12.937 -1.297 13.274 1.00 0.00 N ATOM 282 CA LEU A 19 14.093 -0.424 13.197 1.00 0.00 C ATOM 283 C LEU A 19 13.772 0.725 12.263 1.00 0.00 C ATOM 284 O LEU A 19 13.751 1.868 12.692 1.00 0.00 O ATOM 285 CB LEU A 19 15.367 -1.139 12.706 1.00 0.00 C ATOM 286 CG LEU A 19 16.170 -1.946 13.738 1.00 0.00 C ATOM 287 CD1 LEU A 19 15.419 -3.083 14.427 1.00 0.00 C ATOM 288 CD2 LEU A 19 17.370 -2.556 13.010 1.00 0.00 C ATOM 0 H LEU A 19 13.119 -2.250 12.961 1.00 0.00 H new ATOM 0 HA LEU A 19 14.302 -0.072 14.207 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.084 -1.814 11.898 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.030 -0.388 12.277 1.00 0.00 H new ATOM 0 HG LEU A 19 16.432 -1.243 14.529 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.083 -3.582 15.133 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.558 -2.680 14.961 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.079 -3.800 13.680 1.00 0.00 H new ATOM 0 HD21 LEU A 19 17.965 -3.138 13.714 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.018 -3.206 12.209 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.983 -1.759 12.588 1.00 0.00 H new ATOM 300 N VAL A 20 13.487 0.435 10.998 1.00 0.00 N ATOM 301 CA VAL A 20 13.248 1.457 9.989 1.00 0.00 C ATOM 302 C VAL A 20 12.086 2.384 10.376 1.00 0.00 C ATOM 303 O VAL A 20 12.141 3.580 10.073 1.00 0.00 O ATOM 304 CB VAL A 20 13.068 0.741 8.642 1.00 0.00 C ATOM 305 CG1 VAL A 20 12.568 1.649 7.525 1.00 0.00 C ATOM 306 CG2 VAL A 20 14.402 0.143 8.183 1.00 0.00 C ATOM 0 H VAL A 20 13.415 -0.519 10.644 1.00 0.00 H new ATOM 0 HA VAL A 20 14.099 2.134 9.907 1.00 0.00 H new ATOM 0 HB VAL A 20 12.314 -0.026 8.820 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.466 1.072 6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.600 2.066 7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.281 2.459 7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.264 -0.363 7.227 1.00 0.00 H new ATOM 0 HG22 VAL A 20 15.138 0.939 8.070 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.754 -0.574 8.925 1.00 0.00 H new ATOM 316 N ARG A 21 11.058 1.887 11.077 1.00 0.00 N ATOM 317 CA ARG A 21 9.965 2.737 11.537 1.00 0.00 C ATOM 318 C ARG A 21 10.431 3.665 12.661 1.00 0.00 C ATOM 319 O ARG A 21 9.803 4.706 12.877 1.00 0.00 O ATOM 320 CB ARG A 21 8.775 1.891 12.034 1.00 0.00 C ATOM 321 CG ARG A 21 7.470 2.717 12.011 1.00 0.00 C ATOM 322 CD ARG A 21 6.758 2.847 13.362 1.00 0.00 C ATOM 323 NE ARG A 21 7.569 3.540 14.382 1.00 0.00 N ATOM 324 CZ ARG A 21 7.674 3.201 15.673 1.00 0.00 C ATOM 325 NH1 ARG A 21 7.154 2.060 16.113 1.00 0.00 N ATOM 326 NH2 ARG A 21 8.308 3.993 16.527 1.00 0.00 N ATOM 0 H ARG A 21 10.965 0.904 11.334 1.00 0.00 H new ATOM 0 HA ARG A 21 9.642 3.338 10.687 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.663 1.007 11.406 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.971 1.539 13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.698 3.716 11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.783 2.261 11.298 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.822 3.388 13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.500 1.853 13.726 1.00 0.00 H new ATOM 0 HE ARG A 21 8.100 4.355 14.074 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.671 1.436 15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.238 1.808 17.098 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.720 4.868 16.202 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.384 3.728 17.509 1.00 0.00 H new ATOM 340 N ASP A 22 11.456 3.289 13.426 1.00 0.00 N ATOM 341 CA ASP A 22 11.932 4.089 14.538 1.00 0.00 C ATOM 342 C ASP A 22 12.737 5.274 14.026 1.00 0.00 C ATOM 343 O ASP A 22 13.688 5.113 13.259 1.00 0.00 O ATOM 344 CB ASP A 22 12.804 3.285 15.512 1.00 0.00 C ATOM 345 CG ASP A 22 13.157 4.141 16.728 1.00 0.00 C ATOM 346 OD1 ASP A 22 12.298 4.925 17.202 1.00 0.00 O ATOM 347 OD2 ASP A 22 14.291 4.052 17.245 1.00 0.00 O ATOM 0 H ASP A 22 11.974 2.422 13.287 1.00 0.00 H new ATOM 0 HA ASP A 22 11.048 4.430 15.077 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.274 2.387 15.831 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.715 2.957 15.011 1.00 0.00 H new ATOM 352 N ASP A 23 12.385 6.479 14.462 1.00 0.00 N ATOM 353 CA ASP A 23 13.132 7.685 14.120 1.00 0.00 C ATOM 354 C ASP A 23 14.569 7.608 14.637 1.00 0.00 C ATOM 355 O ASP A 23 15.472 8.161 14.014 1.00 0.00 O ATOM 356 CB ASP A 23 12.425 8.921 14.684 1.00 0.00 C ATOM 357 CG ASP A 23 11.268 9.401 13.813 1.00 0.00 C ATOM 358 OD1 ASP A 23 10.607 8.591 13.129 1.00 0.00 O ATOM 359 OD2 ASP A 23 11.023 10.629 13.760 1.00 0.00 O ATOM 0 H ASP A 23 11.576 6.647 15.061 1.00 0.00 H new ATOM 0 HA ASP A 23 13.171 7.766 13.034 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.050 8.693 15.682 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.149 9.728 14.792 1.00 0.00 H new ATOM 364 N GLY A 24 14.795 6.868 15.725 1.00 0.00 N ATOM 365 CA GLY A 24 16.101 6.660 16.323 1.00 0.00 C ATOM 366 C GLY A 24 16.943 5.603 15.605 1.00 0.00 C ATOM 367 O GLY A 24 18.010 5.253 16.110 1.00 0.00 O ATOM 0 H GLY A 24 14.047 6.386 16.223 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.645 7.605 16.326 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.972 6.364 17.364 1.00 0.00 H new ATOM 371 N SER A 25 16.476 4.985 14.517 1.00 0.00 N ATOM 372 CA SER A 25 17.285 4.042 13.750 1.00 0.00 C ATOM 373 C SER A 25 18.104 4.839 12.746 1.00 0.00 C ATOM 374 O SER A 25 17.535 5.617 11.978 1.00 0.00 O ATOM 375 CB SER A 25 16.393 3.033 13.021 1.00 0.00 C ATOM 376 OG SER A 25 17.125 2.210 12.124 1.00 0.00 O ATOM 0 H SER A 25 15.535 5.124 14.148 1.00 0.00 H new ATOM 0 HA SER A 25 17.940 3.483 14.418 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.886 2.405 13.754 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.620 3.568 12.470 1.00 0.00 H new ATOM 0 HG SER A 25 17.086 2.593 11.223 1.00 0.00 H new ATOM 382 N ALA A 26 19.431 4.676 12.756 1.00 0.00 N ATOM 383 CA ALA A 26 20.264 5.328 11.755 1.00 0.00 C ATOM 384 C ALA A 26 20.018 4.652 10.397 1.00 0.00 C ATOM 385 O ALA A 26 20.080 5.322 9.370 1.00 0.00 O ATOM 386 CB ALA A 26 21.738 5.269 12.155 1.00 0.00 C ATOM 0 H ALA A 26 19.939 4.108 13.435 1.00 0.00 H new ATOM 0 HA ALA A 26 19.999 6.383 11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 26 22.342 5.762 11.393 1.00 0.00 H new ATOM 0 HB2 ALA A 26 21.876 5.775 13.111 1.00 0.00 H new ATOM 0 HB3 ALA A 26 22.049 4.228 12.247 1.00 0.00 H new ATOM 392 N VAL A 27 19.742 3.339 10.392 1.00 0.00 N ATOM 393 CA VAL A 27 19.392 2.560 9.208 1.00 0.00 C ATOM 394 C VAL A 27 18.058 3.095 8.687 1.00 0.00 C ATOM 395 O VAL A 27 17.100 3.207 9.461 1.00 0.00 O ATOM 396 CB VAL A 27 19.313 1.059 9.575 1.00 0.00 C ATOM 397 CG1 VAL A 27 18.508 0.196 8.594 1.00 0.00 C ATOM 398 CG2 VAL A 27 20.722 0.466 9.695 1.00 0.00 C ATOM 0 H VAL A 27 19.759 2.777 11.243 1.00 0.00 H new ATOM 0 HA VAL A 27 20.147 2.656 8.427 1.00 0.00 H new ATOM 0 HB VAL A 27 18.782 1.034 10.527 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.509 -0.839 8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 27 17.482 0.561 8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.960 0.253 7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.651 -0.591 9.954 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.244 0.573 8.744 1.00 0.00 H new ATOM 0 HG23 VAL A 27 21.274 0.994 10.473 1.00 0.00 H new ATOM 408 N ILE A 28 18.004 3.368 7.381 1.00 0.00 N ATOM 409 CA ILE A 28 16.854 3.926 6.681 1.00 0.00 C ATOM 410 C ILE A 28 16.277 2.918 5.679 1.00 0.00 C ATOM 411 O ILE A 28 15.103 3.035 5.323 1.00 0.00 O ATOM 412 CB ILE A 28 17.193 5.302 6.048 1.00 0.00 C ATOM 413 CG1 ILE A 28 17.991 5.245 4.723 1.00 0.00 C ATOM 414 CG2 ILE A 28 17.939 6.214 7.036 1.00 0.00 C ATOM 415 CD1 ILE A 28 17.073 5.290 3.494 1.00 0.00 C ATOM 0 H ILE A 28 18.795 3.198 6.760 1.00 0.00 H new ATOM 0 HA ILE A 28 16.064 4.118 7.407 1.00 0.00 H new ATOM 0 HB ILE A 28 16.214 5.715 5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.689 6.081 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.586 4.332 4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.159 7.168 6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.317 6.385 7.915 1.00 0.00 H new ATOM 0 HG23 ILE A 28 18.871 5.737 7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 28 17.677 5.248 2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 28 16.392 4.439 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 28 16.497 6.215 3.504 1.00 0.00 H new ATOM 427 N TRP A 29 17.074 1.948 5.206 1.00 0.00 N ATOM 428 CA TRP A 29 16.620 0.917 4.286 1.00 0.00 C ATOM 429 C TRP A 29 17.050 -0.461 4.751 1.00 0.00 C ATOM 430 O TRP A 29 18.127 -0.628 5.326 1.00 0.00 O ATOM 431 CB TRP A 29 17.166 1.154 2.868 1.00 0.00 C ATOM 432 CG TRP A 29 18.644 1.056 2.650 1.00 0.00 C ATOM 433 CD1 TRP A 29 19.491 2.105 2.592 1.00 0.00 C ATOM 434 CD2 TRP A 29 19.459 -0.131 2.381 1.00 0.00 C ATOM 435 NE1 TRP A 29 20.762 1.653 2.322 1.00 0.00 N ATOM 436 CE2 TRP A 29 20.813 0.282 2.219 1.00 0.00 C ATOM 437 CE3 TRP A 29 19.202 -1.513 2.247 1.00 0.00 C ATOM 438 CZ2 TRP A 29 21.864 -0.627 2.029 1.00 0.00 C ATOM 439 CZ3 TRP A 29 20.245 -2.432 2.015 1.00 0.00 C ATOM 440 CH2 TRP A 29 21.577 -1.996 1.925 1.00 0.00 C ATOM 0 H TRP A 29 18.059 1.864 5.459 1.00 0.00 H new ATOM 0 HA TRP A 29 15.531 0.969 4.266 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.684 0.438 2.202 1.00 0.00 H new ATOM 0 HB3 TRP A 29 16.849 2.148 2.551 1.00 0.00 H new ATOM 0 HD1 TRP A 29 19.214 3.139 2.735 1.00 0.00 H new ATOM 0 HE1 TRP A 29 21.572 2.263 2.211 1.00 0.00 H new ATOM 0 HE3 TRP A 29 18.187 -1.873 2.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 22.883 -0.277 1.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 20.018 -3.482 1.905 1.00 0.00 H new ATOM 0 HH2 TRP A 29 22.374 -2.709 1.777 1.00 0.00 H new ATOM 451 N VAL A 30 16.206 -1.447 4.464 1.00 0.00 N ATOM 452 CA VAL A 30 16.471 -2.862 4.730 1.00 0.00 C ATOM 453 C VAL A 30 15.907 -3.639 3.541 1.00 0.00 C ATOM 454 O VAL A 30 14.925 -3.212 2.934 1.00 0.00 O ATOM 455 CB VAL A 30 15.882 -3.342 6.078 1.00 0.00 C ATOM 456 CG1 VAL A 30 16.300 -4.798 6.355 1.00 0.00 C ATOM 457 CG2 VAL A 30 16.327 -2.513 7.293 1.00 0.00 C ATOM 0 H VAL A 30 15.297 -1.284 4.030 1.00 0.00 H new ATOM 0 HA VAL A 30 17.543 -3.032 4.832 1.00 0.00 H new ATOM 0 HB VAL A 30 14.804 -3.232 5.964 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.879 -5.123 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.930 -5.441 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.387 -4.862 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.869 -2.916 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 30 17.412 -2.557 7.386 1.00 0.00 H new ATOM 0 HG23 VAL A 30 16.016 -1.477 7.160 1.00 0.00 H new ATOM 467 N THR A 31 16.490 -4.786 3.207 1.00 0.00 N ATOM 468 CA THR A 31 16.012 -5.634 2.128 1.00 0.00 C ATOM 469 C THR A 31 15.271 -6.830 2.729 1.00 0.00 C ATOM 470 O THR A 31 15.416 -7.142 3.914 1.00 0.00 O ATOM 471 CB THR A 31 17.166 -6.039 1.188 1.00 0.00 C ATOM 472 OG1 THR A 31 18.243 -6.616 1.889 1.00 0.00 O ATOM 473 CG2 THR A 31 17.721 -4.860 0.383 1.00 0.00 C ATOM 0 H THR A 31 17.314 -5.153 3.683 1.00 0.00 H new ATOM 0 HA THR A 31 15.307 -5.086 1.503 1.00 0.00 H new ATOM 0 HB THR A 31 16.723 -6.767 0.508 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.637 -5.949 2.490 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.530 -5.207 -0.260 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.928 -4.433 -0.231 1.00 0.00 H new ATOM 0 HG23 THR A 31 18.101 -4.100 1.066 1.00 0.00 H new ATOM 481 N PHE A 32 14.458 -7.500 1.920 1.00 0.00 N ATOM 482 CA PHE A 32 13.743 -8.707 2.285 1.00 0.00 C ATOM 483 C PHE A 32 14.007 -9.705 1.161 1.00 0.00 C ATOM 484 O PHE A 32 14.015 -9.349 -0.021 1.00 0.00 O ATOM 485 CB PHE A 32 12.237 -8.442 2.484 1.00 0.00 C ATOM 486 CG PHE A 32 11.841 -7.684 3.746 1.00 0.00 C ATOM 487 CD1 PHE A 32 12.239 -8.164 5.007 1.00 0.00 C ATOM 488 CD2 PHE A 32 11.022 -6.539 3.680 1.00 0.00 C ATOM 489 CE1 PHE A 32 11.891 -7.476 6.182 1.00 0.00 C ATOM 490 CE2 PHE A 32 10.627 -5.881 4.861 1.00 0.00 C ATOM 491 CZ PHE A 32 11.079 -6.332 6.113 1.00 0.00 C ATOM 0 H PHE A 32 14.276 -7.204 0.961 1.00 0.00 H new ATOM 0 HA PHE A 32 14.089 -9.097 3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.872 -7.884 1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.719 -9.401 2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.819 -9.073 5.073 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.696 -6.165 2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.248 -7.827 7.139 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.972 -5.024 4.804 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.804 -5.804 7.014 1.00 0.00 H new ATOM 501 N LYS A 33 14.256 -10.954 1.537 1.00 0.00 N ATOM 502 CA LYS A 33 14.586 -12.075 0.667 1.00 0.00 C ATOM 503 C LYS A 33 13.598 -13.190 0.968 1.00 0.00 C ATOM 504 O LYS A 33 12.708 -13.028 1.803 1.00 0.00 O ATOM 505 CB LYS A 33 16.032 -12.570 0.835 1.00 0.00 C ATOM 506 CG LYS A 33 17.077 -11.461 0.985 1.00 0.00 C ATOM 507 CD LYS A 33 18.429 -11.956 0.462 1.00 0.00 C ATOM 508 CE LYS A 33 19.517 -10.890 0.593 1.00 0.00 C ATOM 509 NZ LYS A 33 20.750 -11.293 -0.113 1.00 0.00 N ATOM 0 H LYS A 33 14.231 -11.227 2.519 1.00 0.00 H new ATOM 0 HA LYS A 33 14.513 -11.747 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.080 -13.216 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.294 -13.183 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.764 -10.575 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.165 -11.169 2.032 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.727 -12.848 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.329 -12.246 -0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.155 -9.946 0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.738 -10.720 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.470 -10.550 -0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 21.107 -12.182 0.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.542 -11.431 -1.123 1.00 0.00 H new ATOM 523 N TYR A 34 13.699 -14.284 0.227 1.00 0.00 N ATOM 524 CA TYR A 34 12.854 -15.453 0.406 1.00 0.00 C ATOM 525 C TYR A 34 13.746 -16.628 0.769 1.00 0.00 C ATOM 526 O TYR A 34 14.785 -16.816 0.134 1.00 0.00 O ATOM 527 CB TYR A 34 12.094 -15.743 -0.902 1.00 0.00 C ATOM 528 CG TYR A 34 11.122 -14.646 -1.280 1.00 0.00 C ATOM 529 CD1 TYR A 34 11.602 -13.378 -1.662 1.00 0.00 C ATOM 530 CD2 TYR A 34 9.740 -14.857 -1.148 1.00 0.00 C ATOM 531 CE1 TYR A 34 10.726 -12.292 -1.749 1.00 0.00 C ATOM 532 CE2 TYR A 34 8.851 -13.783 -1.299 1.00 0.00 C ATOM 533 CZ TYR A 34 9.348 -12.482 -1.533 1.00 0.00 C ATOM 534 OH TYR A 34 8.533 -11.396 -1.454 1.00 0.00 O ATOM 0 H TYR A 34 14.380 -14.385 -0.526 1.00 0.00 H new ATOM 0 HA TYR A 34 12.125 -15.283 1.198 1.00 0.00 H new ATOM 0 HB2 TYR A 34 12.813 -15.878 -1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.550 -16.682 -0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.650 -13.244 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.362 -15.845 -0.930 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.106 -11.308 -1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.786 -13.951 -1.236 1.00 0.00 H new ATOM 0 HH TYR A 34 8.881 -10.684 -2.030 1.00 0.00 H new ATOM 544 N ASP A 35 13.339 -17.445 1.734 1.00 0.00 N ATOM 545 CA ASP A 35 14.053 -18.657 2.118 1.00 0.00 C ATOM 546 C ASP A 35 13.045 -19.783 2.249 1.00 0.00 C ATOM 547 O ASP A 35 12.087 -19.654 3.013 1.00 0.00 O ATOM 548 CB ASP A 35 14.784 -18.496 3.447 1.00 0.00 C ATOM 549 CG ASP A 35 15.481 -19.808 3.796 1.00 0.00 C ATOM 550 OD1 ASP A 35 16.457 -20.162 3.092 1.00 0.00 O ATOM 551 OD2 ASP A 35 15.022 -20.527 4.705 1.00 0.00 O ATOM 0 H ASP A 35 12.492 -17.282 2.279 1.00 0.00 H new ATOM 0 HA ASP A 35 14.798 -18.872 1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.514 -17.689 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.080 -18.224 4.233 1.00 0.00 H new ATOM 556 N GLY A 36 13.261 -20.874 1.512 1.00 0.00 N ATOM 557 CA GLY A 36 12.471 -22.095 1.540 1.00 0.00 C ATOM 558 C GLY A 36 10.993 -21.884 1.211 1.00 0.00 C ATOM 559 O GLY A 36 10.562 -22.117 0.082 1.00 0.00 O ATOM 0 H GLY A 36 14.033 -20.927 0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.893 -22.806 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.552 -22.546 2.529 1.00 0.00 H new ATOM 563 N SER A 37 10.223 -21.443 2.197 1.00 0.00 N ATOM 564 CA SER A 37 8.785 -21.248 2.182 1.00 0.00 C ATOM 565 C SER A 37 8.337 -19.909 2.793 1.00 0.00 C ATOM 566 O SER A 37 7.136 -19.727 3.016 1.00 0.00 O ATOM 567 CB SER A 37 8.145 -22.446 2.911 1.00 0.00 C ATOM 568 OG SER A 37 8.991 -23.087 3.870 1.00 0.00 O ATOM 0 H SER A 37 10.624 -21.193 3.101 1.00 0.00 H new ATOM 0 HA SER A 37 8.450 -21.200 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.241 -22.105 3.415 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.838 -23.183 2.169 1.00 0.00 H new ATOM 0 HG SER A 37 8.509 -23.832 4.285 1.00 0.00 H new ATOM 574 N THR A 38 9.241 -18.967 3.091 1.00 0.00 N ATOM 575 CA THR A 38 8.841 -17.733 3.756 1.00 0.00 C ATOM 576 C THR A 38 9.725 -16.536 3.383 1.00 0.00 C ATOM 577 O THR A 38 10.710 -16.671 2.657 1.00 0.00 O ATOM 578 CB THR A 38 8.803 -18.047 5.262 1.00 0.00 C ATOM 579 OG1 THR A 38 7.994 -17.124 5.947 1.00 0.00 O ATOM 580 CG2 THR A 38 10.177 -18.095 5.932 1.00 0.00 C ATOM 0 H THR A 38 10.237 -19.038 2.884 1.00 0.00 H new ATOM 0 HA THR A 38 7.855 -17.410 3.422 1.00 0.00 H new ATOM 0 HB THR A 38 8.382 -19.051 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.287 -16.803 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.057 -18.322 6.991 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.784 -18.868 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.670 -17.129 5.821 1.00 0.00 H new ATOM 588 N ILE A 39 9.320 -15.352 3.852 1.00 0.00 N ATOM 589 CA ILE A 39 10.053 -14.098 3.699 1.00 0.00 C ATOM 590 C ILE A 39 11.083 -14.040 4.831 1.00 0.00 C ATOM 591 O ILE A 39 10.730 -14.361 5.967 1.00 0.00 O ATOM 592 CB ILE A 39 9.119 -12.862 3.821 1.00 0.00 C ATOM 593 CG1 ILE A 39 7.788 -12.926 3.040 1.00 0.00 C ATOM 594 CG2 ILE A 39 9.886 -11.587 3.424 1.00 0.00 C ATOM 595 CD1 ILE A 39 7.934 -13.215 1.552 1.00 0.00 C ATOM 0 H ILE A 39 8.445 -15.240 4.364 1.00 0.00 H new ATOM 0 HA ILE A 39 10.514 -14.071 2.712 1.00 0.00 H new ATOM 0 HB ILE A 39 8.823 -12.851 4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.158 -13.696 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.265 -11.977 3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.226 -10.724 3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.743 -11.457 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.232 -11.676 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.948 -13.241 1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.534 -12.433 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.425 -14.178 1.415 1.00 0.00 H new ATOM 607 N VAL A 40 12.295 -13.564 4.540 1.00 0.00 N ATOM 608 CA VAL A 40 13.382 -13.354 5.504 1.00 0.00 C ATOM 609 C VAL A 40 13.990 -11.949 5.344 1.00 0.00 C ATOM 610 O VAL A 40 13.788 -11.322 4.299 1.00 0.00 O ATOM 611 CB VAL A 40 14.453 -14.451 5.350 1.00 0.00 C ATOM 612 CG1 VAL A 40 13.831 -15.841 5.390 1.00 0.00 C ATOM 613 CG2 VAL A 40 15.244 -14.341 4.049 1.00 0.00 C ATOM 0 H VAL A 40 12.559 -13.303 3.590 1.00 0.00 H new ATOM 0 HA VAL A 40 12.973 -13.422 6.512 1.00 0.00 H new ATOM 0 HB VAL A 40 15.131 -14.302 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.613 -16.593 5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.322 -15.985 6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.112 -15.942 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.981 -15.142 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.564 -14.424 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.753 -13.378 4.013 1.00 0.00 H new ATOM 623 N PRO A 41 14.707 -11.401 6.342 1.00 0.00 N ATOM 624 CA PRO A 41 15.389 -10.114 6.205 1.00 0.00 C ATOM 625 C PRO A 41 16.671 -10.286 5.376 1.00 0.00 C ATOM 626 O PRO A 41 17.236 -11.377 5.310 1.00 0.00 O ATOM 627 CB PRO A 41 15.700 -9.672 7.639 1.00 0.00 C ATOM 628 CG PRO A 41 15.873 -10.997 8.379 1.00 0.00 C ATOM 629 CD PRO A 41 14.857 -11.912 7.698 1.00 0.00 C ATOM 0 HA PRO A 41 14.784 -9.370 5.687 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.603 -9.063 7.686 1.00 0.00 H new ATOM 0 HB3 PRO A 41 14.891 -9.077 8.062 1.00 0.00 H new ATOM 0 HG2 PRO A 41 16.888 -11.382 8.284 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.670 -10.893 9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 41 15.205 -12.945 7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.904 -11.901 8.228 1.00 0.00 H new ATOM 637 N GLY A 42 17.147 -9.209 4.757 1.00 0.00 N ATOM 638 CA GLY A 42 18.393 -9.132 3.996 1.00 0.00 C ATOM 639 C GLY A 42 19.246 -7.976 4.526 1.00 0.00 C ATOM 640 O GLY A 42 18.971 -7.459 5.611 1.00 0.00 O ATOM 0 H GLY A 42 16.649 -8.319 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.941 -10.070 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 42 18.177 -8.983 2.938 1.00 0.00 H new ATOM 644 N GLU A 43 20.292 -7.579 3.790 1.00 0.00 N ATOM 645 CA GLU A 43 21.132 -6.431 4.139 1.00 0.00 C ATOM 646 C GLU A 43 20.327 -5.147 4.351 1.00 0.00 C ATOM 647 O GLU A 43 19.192 -5.005 3.886 1.00 0.00 O ATOM 648 CB GLU A 43 22.247 -6.209 3.095 1.00 0.00 C ATOM 649 CG GLU A 43 23.452 -7.129 3.315 1.00 0.00 C ATOM 650 CD GLU A 43 24.106 -6.823 4.663 1.00 0.00 C ATOM 651 OE1 GLU A 43 24.697 -5.732 4.829 1.00 0.00 O ATOM 652 OE2 GLU A 43 23.939 -7.632 5.602 1.00 0.00 O ATOM 0 H GLU A 43 20.579 -8.049 2.932 1.00 0.00 H new ATOM 0 HA GLU A 43 21.596 -6.676 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.843 -6.378 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.575 -5.170 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 43 23.134 -8.171 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 43 24.176 -6.992 2.511 1.00 0.00 H new ATOM 659 N GLN A 44 20.966 -4.196 5.026 1.00 0.00 N ATOM 660 CA GLN A 44 20.442 -2.913 5.459 1.00 0.00 C ATOM 661 C GLN A 44 21.501 -1.825 5.320 1.00 0.00 C ATOM 662 O GLN A 44 22.693 -2.142 5.261 1.00 0.00 O ATOM 663 CB GLN A 44 20.006 -3.041 6.934 1.00 0.00 C ATOM 664 CG GLN A 44 21.126 -3.279 7.972 1.00 0.00 C ATOM 665 CD GLN A 44 21.858 -4.609 7.782 1.00 0.00 C ATOM 666 OE1 GLN A 44 23.032 -4.601 7.169 1.00 0.00 O flip ATOM 667 NE2 GLN A 44 21.345 -5.663 8.136 1.00 0.00 N flip ATOM 0 H GLN A 44 21.940 -4.316 5.304 1.00 0.00 H new ATOM 0 HA GLN A 44 19.592 -2.635 4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 44 19.473 -2.131 7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 44 19.294 -3.863 7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 44 21.847 -2.464 7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.696 -3.249 8.973 1.00 0.00 H new ATOM 0 HE21 GLN A 44 20.440 -5.657 8.607 1.00 0.00 H new ATOM 0 HE22 GLN A 44 21.822 -6.547 7.960 1.00 0.00 H new ATOM 676 N GLY A 45 21.094 -0.557 5.376 1.00 0.00 N ATOM 677 CA GLY A 45 22.003 0.576 5.337 1.00 0.00 C ATOM 678 C GLY A 45 21.304 1.872 5.733 1.00 0.00 C ATOM 679 O GLY A 45 20.082 1.927 5.905 1.00 0.00 O ATOM 0 H GLY A 45 20.112 -0.290 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.841 0.394 6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.416 0.677 4.333 1.00 0.00 H new ATOM 683 N ALA A 46 22.095 2.935 5.871 1.00 0.00 N ATOM 684 CA ALA A 46 21.646 4.253 6.318 1.00 0.00 C ATOM 685 C ALA A 46 21.718 5.310 5.208 1.00 0.00 C ATOM 686 O ALA A 46 21.320 6.452 5.432 1.00 0.00 O ATOM 687 CB ALA A 46 22.499 4.665 7.520 1.00 0.00 C ATOM 0 H ALA A 46 23.094 2.902 5.669 1.00 0.00 H new ATOM 0 HA ALA A 46 20.595 4.188 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.182 5.647 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.376 3.936 8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.548 4.706 7.225 1.00 0.00 H new ATOM 693 N GLU A 47 22.210 4.960 4.022 1.00 0.00 N ATOM 694 CA GLU A 47 22.340 5.850 2.875 1.00 0.00 C ATOM 695 C GLU A 47 21.939 5.036 1.646 1.00 0.00 C ATOM 696 O GLU A 47 22.248 3.844 1.586 1.00 0.00 O ATOM 697 CB GLU A 47 23.798 6.314 2.787 1.00 0.00 C ATOM 698 CG GLU A 47 24.028 7.349 1.678 1.00 0.00 C ATOM 699 CD GLU A 47 25.509 7.683 1.539 1.00 0.00 C ATOM 700 OE1 GLU A 47 26.291 6.774 1.187 1.00 0.00 O ATOM 701 OE2 GLU A 47 25.891 8.856 1.754 1.00 0.00 O ATOM 0 H GLU A 47 22.540 4.015 3.828 1.00 0.00 H new ATOM 0 HA GLU A 47 21.709 6.735 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 47 24.097 6.742 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.439 5.450 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 47 23.648 6.963 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 47 23.467 8.256 1.901 1.00 0.00 H new ATOM 708 N TYR A 48 21.395 5.671 0.604 1.00 0.00 N ATOM 709 CA TYR A 48 20.894 4.945 -0.561 1.00 0.00 C ATOM 710 C TYR A 48 22.014 4.619 -1.556 1.00 0.00 C ATOM 711 O TYR A 48 21.827 3.779 -2.428 1.00 0.00 O ATOM 712 CB TYR A 48 19.818 5.809 -1.237 1.00 0.00 C ATOM 713 CG TYR A 48 18.991 5.100 -2.295 1.00 0.00 C ATOM 714 CD1 TYR A 48 17.997 4.178 -1.914 1.00 0.00 C ATOM 715 CD2 TYR A 48 19.184 5.391 -3.659 1.00 0.00 C ATOM 716 CE1 TYR A 48 17.198 3.562 -2.892 1.00 0.00 C ATOM 717 CE2 TYR A 48 18.398 4.764 -4.642 1.00 0.00 C ATOM 718 CZ TYR A 48 17.399 3.842 -4.263 1.00 0.00 C ATOM 719 OH TYR A 48 16.642 3.203 -5.197 1.00 0.00 O ATOM 0 H TYR A 48 21.291 6.684 0.546 1.00 0.00 H new ATOM 0 HA TYR A 48 20.475 3.994 -0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 48 19.146 6.191 -0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.302 6.672 -1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 48 17.849 3.944 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.942 6.102 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.425 2.870 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 48 18.559 4.988 -5.686 1.00 0.00 H new ATOM 0 HH TYR A 48 16.662 3.709 -6.036 1.00 0.00 H new ATOM 729 N GLN A 49 23.217 5.167 -1.389 1.00 0.00 N ATOM 730 CA GLN A 49 24.359 4.833 -2.235 1.00 0.00 C ATOM 731 C GLN A 49 24.651 3.325 -2.164 1.00 0.00 C ATOM 732 O GLN A 49 24.954 2.695 -3.175 1.00 0.00 O ATOM 733 CB GLN A 49 25.551 5.653 -1.736 1.00 0.00 C ATOM 734 CG GLN A 49 26.826 5.406 -2.540 1.00 0.00 C ATOM 735 CD GLN A 49 27.949 6.395 -2.238 1.00 0.00 C ATOM 736 OE1 GLN A 49 28.769 6.645 -3.115 1.00 0.00 O ATOM 737 NE2 GLN A 49 28.041 6.959 -1.042 1.00 0.00 N ATOM 0 H GLN A 49 23.426 5.854 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 49 24.154 5.070 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.300 6.713 -1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.737 5.413 -0.689 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.181 4.395 -2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.589 5.454 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.352 6.742 -0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.801 7.610 -0.842 1.00 0.00 H new ATOM 746 N HIS A 50 24.534 2.739 -0.971 1.00 0.00 N ATOM 747 CA HIS A 50 24.706 1.310 -0.719 1.00 0.00 C ATOM 748 C HIS A 50 23.499 0.476 -1.175 1.00 0.00 C ATOM 749 O HIS A 50 23.603 -0.747 -1.287 1.00 0.00 O ATOM 750 CB HIS A 50 25.031 1.132 0.769 1.00 0.00 C ATOM 751 CG HIS A 50 26.364 1.749 1.134 1.00 0.00 C ATOM 752 ND1 HIS A 50 26.600 3.036 1.586 1.00 0.00 N ATOM 753 CD2 HIS A 50 27.579 1.133 0.995 1.00 0.00 C ATOM 754 CE1 HIS A 50 27.930 3.193 1.694 1.00 0.00 C ATOM 755 NE2 HIS A 50 28.560 2.047 1.390 1.00 0.00 N ATOM 0 H HIS A 50 24.309 3.265 -0.127 1.00 0.00 H new ATOM 0 HA HIS A 50 25.533 0.929 -1.318 1.00 0.00 H new ATOM 0 HB2 HIS A 50 24.244 1.588 1.369 1.00 0.00 H new ATOM 0 HB3 HIS A 50 25.044 0.070 1.013 1.00 0.00 H new ATOM 0 HD2 HIS A 50 27.748 0.126 0.644 1.00 0.00 H new ATOM 0 HE1 HIS A 50 28.422 4.110 1.984 1.00 0.00 H new ATOM 0 HE2 HIS A 50 29.564 1.876 1.438 1.00 0.00 H new ATOM 763 N PHE A 51 22.359 1.119 -1.453 1.00 0.00 N ATOM 764 CA PHE A 51 21.170 0.460 -1.978 1.00 0.00 C ATOM 765 C PHE A 51 21.383 0.078 -3.438 1.00 0.00 C ATOM 766 O PHE A 51 20.922 -0.975 -3.878 1.00 0.00 O ATOM 767 CB PHE A 51 19.961 1.400 -1.921 1.00 0.00 C ATOM 768 CG PHE A 51 18.645 0.688 -2.110 1.00 0.00 C ATOM 769 CD1 PHE A 51 17.964 0.182 -0.994 1.00 0.00 C ATOM 770 CD2 PHE A 51 18.089 0.548 -3.395 1.00 0.00 C ATOM 771 CE1 PHE A 51 16.729 -0.460 -1.158 1.00 0.00 C ATOM 772 CE2 PHE A 51 16.849 -0.091 -3.555 1.00 0.00 C ATOM 773 CZ PHE A 51 16.172 -0.602 -2.442 1.00 0.00 C ATOM 0 H PHE A 51 22.241 2.123 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 51 20.989 -0.426 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 51 19.954 1.914 -0.960 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.067 2.165 -2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 51 18.391 0.287 -0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 51 18.615 0.931 -4.257 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.204 -0.846 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.417 -0.188 -4.540 1.00 0.00 H new ATOM 0 HZ PHE A 51 15.224 -1.104 -2.568 1.00 0.00 H new ATOM 783 N ILE A 52 22.085 0.929 -4.194 1.00 0.00 N ATOM 784 CA ILE A 52 22.292 0.745 -5.623 1.00 0.00 C ATOM 785 C ILE A 52 22.926 -0.628 -5.885 1.00 0.00 C ATOM 786 O ILE A 52 22.461 -1.373 -6.750 1.00 0.00 O ATOM 787 CB ILE A 52 23.112 1.913 -6.227 1.00 0.00 C ATOM 788 CG1 ILE A 52 22.799 3.330 -5.688 1.00 0.00 C ATOM 789 CG2 ILE A 52 22.919 1.912 -7.746 1.00 0.00 C ATOM 790 CD1 ILE A 52 21.356 3.823 -5.805 1.00 0.00 C ATOM 0 H ILE A 52 22.527 1.770 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 52 21.328 0.762 -6.131 1.00 0.00 H new ATOM 0 HB ILE A 52 24.141 1.720 -5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.081 3.360 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 52 23.441 4.039 -6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.491 2.729 -8.186 1.00 0.00 H new ATOM 0 HG22 ILE A 52 23.267 0.964 -8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 52 21.862 2.042 -7.979 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.280 4.828 -5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 52 21.062 3.841 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 52 20.696 3.152 -5.255 1.00 0.00 H new ATOM 802 N GLN A 53 23.941 -0.991 -5.096 1.00 0.00 N ATOM 803 CA GLN A 53 24.624 -2.277 -5.173 1.00 0.00 C ATOM 804 C GLN A 53 23.705 -3.477 -4.891 1.00 0.00 C ATOM 805 O GLN A 53 24.042 -4.589 -5.303 1.00 0.00 O ATOM 806 CB GLN A 53 25.835 -2.277 -4.225 1.00 0.00 C ATOM 807 CG GLN A 53 26.970 -1.365 -4.721 1.00 0.00 C ATOM 808 CD GLN A 53 26.883 0.017 -4.096 1.00 0.00 C ATOM 809 OE1 GLN A 53 27.073 0.168 -2.891 1.00 0.00 O ATOM 810 NE2 GLN A 53 26.560 1.038 -4.868 1.00 0.00 N ATOM 0 H GLN A 53 24.317 -0.381 -4.370 1.00 0.00 H new ATOM 0 HA GLN A 53 24.960 -2.400 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.517 -1.951 -3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.210 -3.295 -4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.933 -1.815 -4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.922 -1.279 -5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 53 26.406 0.894 -5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 53 26.464 1.971 -4.466 1.00 0.00 H new ATOM 819 N GLN A 54 22.590 -3.302 -4.170 1.00 0.00 N ATOM 820 CA GLN A 54 21.700 -4.413 -3.849 1.00 0.00 C ATOM 821 C GLN A 54 20.937 -4.910 -5.074 1.00 0.00 C ATOM 822 O GLN A 54 20.603 -6.098 -5.128 1.00 0.00 O ATOM 823 CB GLN A 54 20.681 -4.033 -2.756 1.00 0.00 C ATOM 824 CG GLN A 54 21.310 -3.527 -1.454 1.00 0.00 C ATOM 825 CD GLN A 54 22.425 -4.441 -0.962 1.00 0.00 C ATOM 826 OE1 GLN A 54 22.281 -5.667 -0.948 1.00 0.00 O ATOM 827 NE2 GLN A 54 23.559 -3.864 -0.604 1.00 0.00 N ATOM 0 H GLN A 54 22.287 -2.401 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 54 22.345 -5.211 -3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.016 -3.263 -3.148 1.00 0.00 H new ATOM 0 HB3 GLN A 54 20.064 -4.903 -2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.707 -2.524 -1.610 1.00 0.00 H new ATOM 0 HG3 GLN A 54 20.540 -3.450 -0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.644 -2.848 -0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 54 24.349 -4.435 -0.304 1.00 0.00 H new ATOM 836 N CYS A 55 20.641 -4.020 -6.024 1.00 0.00 N ATOM 837 CA CYS A 55 19.959 -4.369 -7.258 1.00 0.00 C ATOM 838 C CYS A 55 20.980 -5.137 -8.084 1.00 0.00 C ATOM 839 O CYS A 55 21.984 -4.560 -8.505 1.00 0.00 O ATOM 840 CB CYS A 55 19.495 -3.088 -7.957 1.00 0.00 C ATOM 841 SG CYS A 55 18.505 -2.113 -6.787 1.00 0.00 S ATOM 0 H CYS A 55 20.873 -3.029 -5.951 1.00 0.00 H new ATOM 0 HA CYS A 55 19.069 -4.977 -7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 55 20.355 -2.511 -8.298 1.00 0.00 H new ATOM 0 HB3 CYS A 55 18.905 -3.332 -8.840 1.00 0.00 H new ATOM 0 HG CYS A 55 17.308 -1.946 -7.266 1.00 0.00 H new ATOM 847 N THR A 56 20.730 -6.421 -8.309 1.00 0.00 N ATOM 848 CA THR A 56 21.632 -7.329 -8.987 1.00 0.00 C ATOM 849 C THR A 56 21.075 -7.857 -10.317 1.00 0.00 C ATOM 850 O THR A 56 19.900 -7.687 -10.645 1.00 0.00 O ATOM 851 CB THR A 56 22.101 -8.354 -7.935 1.00 0.00 C ATOM 852 OG1 THR A 56 21.056 -8.732 -7.056 1.00 0.00 O ATOM 853 CG2 THR A 56 23.154 -7.698 -7.038 1.00 0.00 C ATOM 0 H THR A 56 19.863 -6.869 -8.012 1.00 0.00 H new ATOM 0 HA THR A 56 22.526 -6.828 -9.360 1.00 0.00 H new ATOM 0 HB THR A 56 22.472 -9.220 -8.484 1.00 0.00 H new ATOM 0 HG1 THR A 56 21.394 -9.383 -6.406 1.00 0.00 H new ATOM 0 HG21 THR A 56 23.492 -8.415 -6.290 1.00 0.00 H new ATOM 0 HG22 THR A 56 24.001 -7.379 -7.645 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.719 -6.832 -6.540 1.00 0.00 H new ATOM 861 N ASP A 57 21.976 -8.462 -11.084 1.00 0.00 N ATOM 862 CA ASP A 57 21.875 -9.001 -12.432 1.00 0.00 C ATOM 863 C ASP A 57 20.605 -9.763 -12.844 1.00 0.00 C ATOM 864 O ASP A 57 19.868 -9.283 -13.707 1.00 0.00 O ATOM 865 CB ASP A 57 23.165 -9.804 -12.722 1.00 0.00 C ATOM 866 CG ASP A 57 23.174 -11.204 -12.098 1.00 0.00 C ATOM 867 OD1 ASP A 57 22.949 -11.306 -10.869 1.00 0.00 O ATOM 868 OD2 ASP A 57 23.266 -12.190 -12.861 1.00 0.00 O ATOM 0 H ASP A 57 22.920 -8.603 -10.723 1.00 0.00 H new ATOM 0 HA ASP A 57 21.770 -8.125 -13.072 1.00 0.00 H new ATOM 0 HB2 ASP A 57 23.290 -9.896 -13.801 1.00 0.00 H new ATOM 0 HB3 ASP A 57 24.022 -9.244 -12.349 1.00 0.00 H new ATOM 873 N ASP A 58 20.374 -10.954 -12.300 1.00 0.00 N ATOM 874 CA ASP A 58 19.290 -11.865 -12.637 1.00 0.00 C ATOM 875 C ASP A 58 18.162 -11.964 -11.620 1.00 0.00 C ATOM 876 O ASP A 58 17.001 -12.124 -11.992 1.00 0.00 O ATOM 877 CB ASP A 58 19.940 -13.258 -12.761 1.00 0.00 C ATOM 878 CG ASP A 58 18.944 -14.419 -12.838 1.00 0.00 C ATOM 879 OD1 ASP A 58 18.537 -14.960 -11.779 1.00 0.00 O ATOM 880 OD2 ASP A 58 18.640 -14.875 -13.959 1.00 0.00 O ATOM 0 H ASP A 58 20.977 -11.330 -11.568 1.00 0.00 H new ATOM 0 HA ASP A 58 18.819 -11.486 -13.544 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.567 -13.274 -13.652 1.00 0.00 H new ATOM 0 HB3 ASP A 58 20.597 -13.416 -11.906 1.00 0.00 H new ATOM 885 N VAL A 59 18.489 -11.890 -10.334 1.00 0.00 N ATOM 886 CA VAL A 59 17.527 -12.069 -9.270 1.00 0.00 C ATOM 887 C VAL A 59 16.499 -10.949 -9.148 1.00 0.00 C ATOM 888 O VAL A 59 16.618 -9.861 -9.708 1.00 0.00 O ATOM 889 CB VAL A 59 18.295 -12.269 -7.949 1.00 0.00 C ATOM 890 CG1 VAL A 59 19.195 -13.507 -8.009 1.00 0.00 C ATOM 891 CG2 VAL A 59 19.120 -11.042 -7.546 1.00 0.00 C ATOM 0 H VAL A 59 19.437 -11.703 -10.006 1.00 0.00 H new ATOM 0 HA VAL A 59 16.934 -12.951 -9.513 1.00 0.00 H new ATOM 0 HB VAL A 59 17.535 -12.417 -7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 59 19.723 -13.620 -7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.585 -14.392 -8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.919 -13.392 -8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 59 19.638 -11.244 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.851 -10.823 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 59 18.459 -10.185 -7.418 1.00 0.00 H new ATOM 901 N ARG A 60 15.474 -11.246 -8.353 1.00 0.00 N ATOM 902 CA ARG A 60 14.408 -10.339 -7.973 1.00 0.00 C ATOM 903 C ARG A 60 14.672 -10.093 -6.482 1.00 0.00 C ATOM 904 O ARG A 60 15.158 -11.000 -5.796 1.00 0.00 O ATOM 905 CB ARG A 60 13.029 -10.941 -8.334 1.00 0.00 C ATOM 906 CG ARG A 60 12.497 -11.980 -7.325 1.00 0.00 C ATOM 907 CD ARG A 60 11.750 -13.168 -7.960 1.00 0.00 C ATOM 908 NE ARG A 60 12.482 -14.433 -7.764 1.00 0.00 N ATOM 909 CZ ARG A 60 13.551 -14.864 -8.444 1.00 0.00 C ATOM 910 NH1 ARG A 60 14.051 -14.148 -9.444 1.00 0.00 N ATOM 911 NH2 ARG A 60 14.125 -16.007 -8.108 1.00 0.00 N ATOM 0 H ARG A 60 15.364 -12.172 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 60 14.390 -9.387 -8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.304 -10.131 -8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.098 -11.410 -9.316 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.335 -12.364 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.827 -11.478 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.755 -13.250 -7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.614 -12.986 -9.026 1.00 0.00 H new ATOM 0 HE ARG A 60 12.135 -15.048 -7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.620 -13.260 -9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.866 -14.486 -9.956 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.753 -16.556 -7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.940 -16.339 -8.624 1.00 0.00 H new ATOM 925 N LEU A 61 14.413 -8.906 -5.953 1.00 0.00 N ATOM 926 CA LEU A 61 14.665 -8.589 -4.544 1.00 0.00 C ATOM 927 C LEU A 61 13.565 -7.660 -4.076 1.00 0.00 C ATOM 928 O LEU A 61 12.800 -7.140 -4.886 1.00 0.00 O ATOM 929 CB LEU A 61 16.077 -7.987 -4.379 1.00 0.00 C ATOM 930 CG LEU A 61 16.569 -7.645 -2.957 1.00 0.00 C ATOM 931 CD1 LEU A 61 16.699 -8.899 -2.083 1.00 0.00 C ATOM 932 CD2 LEU A 61 17.935 -6.957 -3.038 1.00 0.00 C ATOM 0 H LEU A 61 14.021 -8.129 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 61 14.647 -9.485 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.789 -8.686 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.120 -7.074 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 61 15.831 -6.983 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.048 -8.616 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.728 -9.388 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.414 -9.586 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.281 -6.716 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.651 -7.624 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.847 -6.040 -3.621 1.00 0.00 H new ATOM 944 N PHE A 62 13.440 -7.503 -2.768 1.00 0.00 N ATOM 945 CA PHE A 62 12.476 -6.574 -2.192 1.00 0.00 C ATOM 946 C PHE A 62 13.197 -5.719 -1.157 1.00 0.00 C ATOM 947 O PHE A 62 14.185 -6.179 -0.573 1.00 0.00 O ATOM 948 CB PHE A 62 11.320 -7.345 -1.545 1.00 0.00 C ATOM 949 CG PHE A 62 10.376 -8.124 -2.448 1.00 0.00 C ATOM 950 CD1 PHE A 62 10.819 -9.179 -3.274 1.00 0.00 C ATOM 951 CD2 PHE A 62 8.998 -7.879 -2.344 1.00 0.00 C ATOM 952 CE1 PHE A 62 9.902 -9.968 -3.989 1.00 0.00 C ATOM 953 CE2 PHE A 62 8.081 -8.708 -3.003 1.00 0.00 C ATOM 954 CZ PHE A 62 8.528 -9.744 -3.830 1.00 0.00 C ATOM 0 H PHE A 62 13.997 -8.010 -2.080 1.00 0.00 H new ATOM 0 HA PHE A 62 12.057 -5.936 -2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.748 -8.046 -0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.723 -6.632 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.876 -9.383 -3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.643 -7.048 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.254 -10.741 -4.656 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.021 -8.546 -2.872 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.815 -10.370 -4.345 1.00 0.00 H new ATOM 964 N ALA A 63 12.739 -4.489 -0.898 1.00 0.00 N ATOM 965 CA ALA A 63 13.333 -3.669 0.140 1.00 0.00 C ATOM 966 C ALA A 63 12.354 -2.672 0.718 1.00 0.00 C ATOM 967 O ALA A 63 11.635 -2.001 -0.013 1.00 0.00 O ATOM 968 CB ALA A 63 14.535 -2.914 -0.411 1.00 0.00 C ATOM 0 H ALA A 63 11.964 -4.050 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 63 13.640 -4.345 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.973 -2.302 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.277 -3.626 -0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.217 -2.273 -1.233 1.00 0.00 H new ATOM 974 N PHE A 64 12.350 -2.560 2.036 1.00 0.00 N ATOM 975 CA PHE A 64 11.547 -1.599 2.759 1.00 0.00 C ATOM 976 C PHE A 64 12.481 -0.412 3.006 1.00 0.00 C ATOM 977 O PHE A 64 13.545 -0.585 3.606 1.00 0.00 O ATOM 978 CB PHE A 64 11.060 -2.321 4.028 1.00 0.00 C ATOM 979 CG PHE A 64 10.213 -1.524 4.998 1.00 0.00 C ATOM 980 CD1 PHE A 64 8.981 -0.981 4.586 1.00 0.00 C ATOM 981 CD2 PHE A 64 10.656 -1.325 6.322 1.00 0.00 C ATOM 982 CE1 PHE A 64 8.228 -0.192 5.476 1.00 0.00 C ATOM 983 CE2 PHE A 64 9.900 -0.533 7.204 1.00 0.00 C ATOM 984 CZ PHE A 64 8.706 0.060 6.772 1.00 0.00 C ATOM 0 H PHE A 64 12.919 -3.150 2.643 1.00 0.00 H new ATOM 0 HA PHE A 64 10.659 -1.224 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.487 -3.196 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 64 11.935 -2.686 4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.614 -1.170 3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.576 -1.781 6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.281 0.220 5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.241 -0.381 8.218 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.154 0.710 7.435 1.00 0.00 H new ATOM 994 N VAL A 65 12.096 0.785 2.557 1.00 0.00 N ATOM 995 CA VAL A 65 12.925 1.988 2.651 1.00 0.00 C ATOM 996 C VAL A 65 12.057 3.141 3.169 1.00 0.00 C ATOM 997 O VAL A 65 10.894 3.270 2.761 1.00 0.00 O ATOM 998 CB VAL A 65 13.476 2.327 1.251 1.00 0.00 C ATOM 999 CG1 VAL A 65 14.410 3.543 1.246 1.00 0.00 C ATOM 1000 CG2 VAL A 65 14.192 1.117 0.633 1.00 0.00 C ATOM 0 H VAL A 65 11.192 0.947 2.114 1.00 0.00 H new ATOM 0 HA VAL A 65 13.759 1.826 3.334 1.00 0.00 H new ATOM 0 HB VAL A 65 12.608 2.586 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.762 3.727 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.870 4.418 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 65 15.263 3.349 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.571 1.383 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.023 0.820 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.491 0.287 0.541 1.00 0.00 H new ATOM 1010 N ARG A 66 12.579 3.961 4.082 1.00 0.00 N ATOM 1011 CA ARG A 66 11.866 5.133 4.591 1.00 0.00 C ATOM 1012 C ARG A 66 11.949 6.258 3.568 1.00 0.00 C ATOM 1013 O ARG A 66 13.002 6.498 2.979 1.00 0.00 O ATOM 1014 CB ARG A 66 12.393 5.532 5.978 1.00 0.00 C ATOM 1015 CG ARG A 66 11.697 6.778 6.551 1.00 0.00 C ATOM 1016 CD ARG A 66 12.222 7.083 7.955 1.00 0.00 C ATOM 1017 NE ARG A 66 11.644 8.331 8.485 1.00 0.00 N ATOM 1018 CZ ARG A 66 11.276 8.556 9.751 1.00 0.00 C ATOM 1019 NH1 ARG A 66 11.494 7.656 10.706 1.00 0.00 N ATOM 1020 NH2 ARG A 66 10.659 9.686 10.070 1.00 0.00 N ATOM 0 H ARG A 66 13.506 3.832 4.489 1.00 0.00 H new ATOM 0 HA ARG A 66 10.811 4.898 4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.256 4.698 6.666 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.465 5.719 5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.871 7.633 5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.620 6.617 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.981 6.256 8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.309 7.166 7.929 1.00 0.00 H new ATOM 0 HE ARG A 66 11.512 9.096 7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.951 6.772 10.480 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.205 7.849 11.665 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.466 10.382 9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.378 9.859 11.035 1.00 0.00 H new ATOM 1034 N PHE A 67 10.837 6.961 3.378 1.00 0.00 N ATOM 1035 CA PHE A 67 10.674 8.057 2.440 1.00 0.00 C ATOM 1036 C PHE A 67 9.917 9.172 3.163 1.00 0.00 C ATOM 1037 O PHE A 67 9.260 8.911 4.168 1.00 0.00 O ATOM 1038 CB PHE A 67 9.960 7.505 1.195 1.00 0.00 C ATOM 1039 CG PHE A 67 9.954 8.464 0.032 1.00 0.00 C ATOM 1040 CD1 PHE A 67 11.129 8.665 -0.717 1.00 0.00 C ATOM 1041 CD2 PHE A 67 8.777 9.156 -0.306 1.00 0.00 C ATOM 1042 CE1 PHE A 67 11.146 9.619 -1.746 1.00 0.00 C ATOM 1043 CE2 PHE A 67 8.794 10.099 -1.343 1.00 0.00 C ATOM 1044 CZ PHE A 67 9.987 10.365 -2.032 1.00 0.00 C ATOM 0 H PHE A 67 9.984 6.769 3.903 1.00 0.00 H new ATOM 0 HA PHE A 67 11.616 8.485 2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.445 6.578 0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.931 7.256 1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 67 12.015 8.087 -0.500 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.861 8.961 0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 67 12.048 9.781 -2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.888 10.621 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.016 11.142 -2.782 1.00 0.00 H new ATOM 1054 N THR A 68 9.952 10.408 2.676 1.00 0.00 N ATOM 1055 CA THR A 68 9.289 11.512 3.347 1.00 0.00 C ATOM 1056 C THR A 68 8.372 12.206 2.345 1.00 0.00 C ATOM 1057 O THR A 68 8.809 12.760 1.337 1.00 0.00 O ATOM 1058 CB THR A 68 10.373 12.383 4.001 1.00 0.00 C ATOM 1059 OG1 THR A 68 10.936 11.628 5.058 1.00 0.00 O ATOM 1060 CG2 THR A 68 9.800 13.667 4.588 1.00 0.00 C ATOM 0 H THR A 68 10.435 10.667 1.816 1.00 0.00 H new ATOM 0 HA THR A 68 8.631 11.205 4.160 1.00 0.00 H new ATOM 0 HB THR A 68 11.106 12.659 3.243 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.636 12.154 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.602 14.250 5.039 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.328 14.250 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.059 13.420 5.348 1.00 0.00 H new ATOM 1128 N SER A 74 3.336 19.492 10.969 1.00 0.00 N ATOM 1129 CA SER A 74 4.445 18.862 11.663 1.00 0.00 C ATOM 1130 C SER A 74 5.141 17.889 10.703 1.00 0.00 C ATOM 1131 O SER A 74 4.693 17.736 9.562 1.00 0.00 O ATOM 1132 CB SER A 74 3.872 18.213 12.923 1.00 0.00 C ATOM 1133 OG SER A 74 3.344 19.237 13.754 1.00 0.00 O ATOM 0 HA SER A 74 5.216 19.565 11.978 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.092 17.498 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.648 17.659 13.451 1.00 0.00 H new ATOM 0 HG SER A 74 3.000 19.966 13.196 1.00 0.00 H new ATOM 1139 N LYS A 75 6.252 17.264 11.120 1.00 0.00 N ATOM 1140 CA LYS A 75 6.985 16.354 10.237 1.00 0.00 C ATOM 1141 C LYS A 75 6.083 15.177 9.878 1.00 0.00 C ATOM 1142 O LYS A 75 5.194 14.778 10.638 1.00 0.00 O ATOM 1143 CB LYS A 75 8.289 15.837 10.867 1.00 0.00 C ATOM 1144 CG LYS A 75 9.432 16.859 11.010 1.00 0.00 C ATOM 1145 CD LYS A 75 9.291 17.814 12.205 1.00 0.00 C ATOM 1146 CE LYS A 75 10.620 18.473 12.604 1.00 0.00 C ATOM 1147 NZ LYS A 75 11.558 17.502 13.212 1.00 0.00 N ATOM 0 H LYS A 75 6.656 17.372 12.050 1.00 0.00 H new ATOM 0 HA LYS A 75 7.265 16.913 9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.058 15.443 11.856 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.651 15.002 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.375 16.319 11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.491 17.449 10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.566 18.590 11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.893 17.264 13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.081 18.921 11.724 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.427 19.281 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.343 18.014 13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.057 16.936 13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.934 16.873 12.474 1.00 0.00 H new ATOM 1161 N ARG A 76 6.348 14.569 8.730 1.00 0.00 N ATOM 1162 CA ARG A 76 5.598 13.445 8.171 1.00 0.00 C ATOM 1163 C ARG A 76 6.582 12.334 7.835 1.00 0.00 C ATOM 1164 O ARG A 76 7.793 12.565 7.800 1.00 0.00 O ATOM 1165 CB ARG A 76 4.813 13.922 6.938 1.00 0.00 C ATOM 1166 CG ARG A 76 3.717 14.960 7.264 1.00 0.00 C ATOM 1167 CD ARG A 76 2.312 14.354 7.318 1.00 0.00 C ATOM 1168 NE ARG A 76 2.046 13.661 8.591 1.00 0.00 N ATOM 1169 CZ ARG A 76 0.837 13.316 9.052 1.00 0.00 C ATOM 1170 NH1 ARG A 76 -0.264 13.664 8.392 1.00 0.00 N ATOM 1171 NH2 ARG A 76 0.744 12.607 10.168 1.00 0.00 N ATOM 0 H ARG A 76 7.125 14.856 8.134 1.00 0.00 H new ATOM 0 HA ARG A 76 4.873 13.056 8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.509 14.355 6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.353 13.060 6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.942 15.427 8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.737 15.749 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.574 15.143 7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.191 13.652 6.493 1.00 0.00 H new ATOM 0 HE ARG A 76 2.851 13.424 9.170 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.192 14.199 7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.180 13.396 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.589 12.329 10.668 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.172 12.339 10.527 1.00 0.00 H new ATOM 1185 N SER A 77 6.084 11.120 7.639 1.00 0.00 N ATOM 1186 CA SER A 77 6.907 9.963 7.339 1.00 0.00 C ATOM 1187 C SER A 77 6.126 9.049 6.409 1.00 0.00 C ATOM 1188 O SER A 77 4.909 8.892 6.564 1.00 0.00 O ATOM 1189 CB SER A 77 7.259 9.266 8.653 1.00 0.00 C ATOM 1190 OG SER A 77 8.233 8.278 8.434 1.00 0.00 O ATOM 0 H SER A 77 5.086 10.912 7.685 1.00 0.00 H new ATOM 0 HA SER A 77 7.835 10.247 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.628 9.997 9.373 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.365 8.816 9.085 1.00 0.00 H new ATOM 0 HG SER A 77 7.840 7.393 8.583 1.00 0.00 H new ATOM 1196 N LYS A 78 6.815 8.427 5.458 1.00 0.00 N ATOM 1197 CA LYS A 78 6.283 7.460 4.515 1.00 0.00 C ATOM 1198 C LYS A 78 7.314 6.351 4.388 1.00 0.00 C ATOM 1199 O LYS A 78 8.433 6.432 4.886 1.00 0.00 O ATOM 1200 CB LYS A 78 5.983 8.142 3.165 1.00 0.00 C ATOM 1201 CG LYS A 78 4.709 8.997 3.210 1.00 0.00 C ATOM 1202 CD LYS A 78 3.388 8.216 3.195 1.00 0.00 C ATOM 1203 CE LYS A 78 2.237 8.967 3.866 1.00 0.00 C ATOM 1204 NZ LYS A 78 0.944 8.282 3.629 1.00 0.00 N ATOM 0 H LYS A 78 7.812 8.595 5.320 1.00 0.00 H new ATOM 0 HA LYS A 78 5.338 7.039 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.828 8.770 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.879 7.381 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.737 9.612 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.719 9.677 2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.116 7.994 2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.533 7.260 3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.422 9.041 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.189 9.985 3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.180 8.812 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.759 8.234 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.985 7.319 4.019 1.00 0.00 H new ATOM 1218 N PHE A 79 6.915 5.281 3.725 1.00 0.00 N ATOM 1219 CA PHE A 79 7.799 4.149 3.481 1.00 0.00 C ATOM 1220 C PHE A 79 7.434 3.563 2.136 1.00 0.00 C ATOM 1221 O PHE A 79 6.251 3.312 1.899 1.00 0.00 O ATOM 1222 CB PHE A 79 7.687 3.104 4.598 1.00 0.00 C ATOM 1223 CG PHE A 79 7.874 3.644 6.005 1.00 0.00 C ATOM 1224 CD1 PHE A 79 6.769 4.145 6.712 1.00 0.00 C ATOM 1225 CD2 PHE A 79 9.154 3.743 6.576 1.00 0.00 C ATOM 1226 CE1 PHE A 79 6.946 4.737 7.972 1.00 0.00 C ATOM 1227 CE2 PHE A 79 9.333 4.309 7.843 1.00 0.00 C ATOM 1228 CZ PHE A 79 8.224 4.797 8.551 1.00 0.00 C ATOM 0 H PHE A 79 5.976 5.169 3.342 1.00 0.00 H new ATOM 0 HA PHE A 79 8.838 4.478 3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.707 2.630 4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 79 8.430 2.326 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.780 4.074 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 79 10.011 3.377 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.097 5.148 8.498 1.00 0.00 H new ATOM 0 HE2 PHE A 79 10.321 4.370 8.275 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.353 5.217 9.538 1.00 0.00 H new ATOM 1238 N ALA A 80 8.420 3.357 1.274 1.00 0.00 N ATOM 1239 CA ALA A 80 8.234 2.747 -0.025 1.00 0.00 C ATOM 1240 C ALA A 80 8.783 1.331 0.036 1.00 0.00 C ATOM 1241 O ALA A 80 9.842 1.096 0.624 1.00 0.00 O ATOM 1242 CB ALA A 80 8.950 3.595 -1.086 1.00 0.00 C ATOM 0 H ALA A 80 9.388 3.616 1.466 1.00 0.00 H new ATOM 0 HA ALA A 80 7.180 2.700 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.814 3.141 -2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.531 4.601 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.014 3.646 -0.854 1.00 0.00 H new ATOM 1248 N LEU A 81 8.011 0.378 -0.489 1.00 0.00 N ATOM 1249 CA LEU A 81 8.459 -1.001 -0.593 1.00 0.00 C ATOM 1250 C LEU A 81 8.891 -1.092 -2.046 1.00 0.00 C ATOM 1251 O LEU A 81 8.080 -0.989 -2.961 1.00 0.00 O ATOM 1252 CB LEU A 81 7.334 -1.980 -0.216 1.00 0.00 C ATOM 1253 CG LEU A 81 7.639 -3.489 -0.370 1.00 0.00 C ATOM 1254 CD1 LEU A 81 7.447 -4.034 -1.791 1.00 0.00 C ATOM 1255 CD2 LEU A 81 9.012 -3.914 0.159 1.00 0.00 C ATOM 0 H LEU A 81 7.071 0.542 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 81 9.265 -1.270 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.056 -1.794 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.462 -1.746 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 81 6.879 -3.942 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.682 -5.098 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.412 -3.886 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.110 -3.505 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.143 -4.986 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.792 -3.376 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.080 -3.683 1.222 1.00 0.00 H new ATOM 1267 N ILE A 82 10.179 -1.268 -2.263 1.00 0.00 N ATOM 1268 CA ILE A 82 10.760 -1.376 -3.583 1.00 0.00 C ATOM 1269 C ILE A 82 10.765 -2.846 -3.906 1.00 0.00 C ATOM 1270 O ILE A 82 11.014 -3.685 -3.035 1.00 0.00 O ATOM 1271 CB ILE A 82 12.179 -0.758 -3.606 1.00 0.00 C ATOM 1272 CG1 ILE A 82 12.057 0.783 -3.590 1.00 0.00 C ATOM 1273 CG2 ILE A 82 13.020 -1.210 -4.814 1.00 0.00 C ATOM 1274 CD1 ILE A 82 12.292 1.328 -2.185 1.00 0.00 C ATOM 0 H ILE A 82 10.863 -1.341 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 82 10.192 -0.825 -4.332 1.00 0.00 H new ATOM 0 HB ILE A 82 12.704 -1.113 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.781 1.217 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.067 1.078 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 82 14.003 -0.740 -4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.134 -2.294 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.519 -0.916 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.202 2.414 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.551 0.909 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.291 1.051 -1.850 1.00 0.00 H new ATOM 1286 N THR A 83 10.475 -3.147 -5.163 1.00 0.00 N ATOM 1287 CA THR A 83 10.539 -4.499 -5.637 1.00 0.00 C ATOM 1288 C THR A 83 11.511 -4.373 -6.806 1.00 0.00 C ATOM 1289 O THR A 83 11.281 -3.571 -7.719 1.00 0.00 O ATOM 1290 CB THR A 83 9.148 -4.955 -6.099 1.00 0.00 C ATOM 1291 OG1 THR A 83 8.098 -4.475 -5.271 1.00 0.00 O ATOM 1292 CG2 THR A 83 9.110 -6.476 -5.986 1.00 0.00 C ATOM 0 H THR A 83 10.194 -2.463 -5.866 1.00 0.00 H new ATOM 0 HA THR A 83 10.855 -5.232 -4.895 1.00 0.00 H new ATOM 0 HB THR A 83 8.998 -4.573 -7.109 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.938 -3.527 -5.462 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.134 -6.840 -6.306 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.885 -6.907 -6.620 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.284 -6.768 -4.951 1.00 0.00 H new ATOM 1300 N TRP A 84 12.593 -5.131 -6.777 1.00 0.00 N ATOM 1301 CA TRP A 84 13.551 -5.188 -7.853 1.00 0.00 C ATOM 1302 C TRP A 84 13.114 -6.395 -8.665 1.00 0.00 C ATOM 1303 O TRP A 84 13.019 -7.502 -8.124 1.00 0.00 O ATOM 1304 CB TRP A 84 14.960 -5.372 -7.277 1.00 0.00 C ATOM 1305 CG TRP A 84 15.994 -5.707 -8.304 1.00 0.00 C ATOM 1306 CD1 TRP A 84 16.605 -6.904 -8.463 1.00 0.00 C ATOM 1307 CD2 TRP A 84 16.457 -4.876 -9.407 1.00 0.00 C ATOM 1308 NE1 TRP A 84 17.389 -6.874 -9.599 1.00 0.00 N ATOM 1309 CE2 TRP A 84 17.291 -5.663 -10.251 1.00 0.00 C ATOM 1310 CE3 TRP A 84 16.222 -3.543 -9.792 1.00 0.00 C ATOM 1311 CZ2 TRP A 84 17.805 -5.173 -11.460 1.00 0.00 C ATOM 1312 CZ3 TRP A 84 16.748 -3.032 -10.992 1.00 0.00 C ATOM 1313 CH2 TRP A 84 17.501 -3.856 -11.846 1.00 0.00 C ATOM 0 H TRP A 84 12.829 -5.733 -5.988 1.00 0.00 H new ATOM 0 HA TRP A 84 13.585 -4.283 -8.460 1.00 0.00 H new ATOM 0 HB2 TRP A 84 15.255 -4.457 -6.764 1.00 0.00 H new ATOM 0 HB3 TRP A 84 14.936 -6.164 -6.528 1.00 0.00 H new ATOM 0 HD1 TRP A 84 16.496 -7.752 -7.803 1.00 0.00 H new ATOM 0 HE1 TRP A 84 17.969 -7.651 -9.916 1.00 0.00 H new ATOM 0 HE3 TRP A 84 15.629 -2.903 -9.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 18.425 -5.798 -12.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 16.572 -2.000 -11.259 1.00 0.00 H new ATOM 0 HH2 TRP A 84 17.845 -3.478 -12.797 1.00 0.00 H new ATOM 1324 N ILE A 85 12.852 -6.192 -9.947 1.00 0.00 N ATOM 1325 CA ILE A 85 12.510 -7.225 -10.902 1.00 0.00 C ATOM 1326 C ILE A 85 13.222 -6.754 -12.161 1.00 0.00 C ATOM 1327 O ILE A 85 12.631 -6.000 -12.940 1.00 0.00 O ATOM 1328 CB ILE A 85 10.997 -7.418 -11.108 1.00 0.00 C ATOM 1329 CG1 ILE A 85 10.223 -7.524 -9.786 1.00 0.00 C ATOM 1330 CG2 ILE A 85 10.793 -8.685 -11.965 1.00 0.00 C ATOM 1331 CD1 ILE A 85 8.742 -7.756 -10.061 1.00 0.00 C ATOM 0 H ILE A 85 12.874 -5.261 -10.364 1.00 0.00 H new ATOM 0 HA ILE A 85 12.818 -8.216 -10.569 1.00 0.00 H new ATOM 0 HB ILE A 85 10.598 -6.538 -11.613 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.622 -8.343 -9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.354 -6.611 -9.205 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.727 -8.847 -12.127 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.291 -8.558 -12.926 1.00 0.00 H new ATOM 0 HG23 ILE A 85 11.216 -9.546 -11.448 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.204 -7.829 -9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.345 -6.923 -10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.617 -8.682 -10.623 1.00 0.00 H new ATOM 1343 N GLY A 86 14.503 -7.108 -12.302 1.00 0.00 N ATOM 1344 CA GLY A 86 15.278 -6.792 -13.492 1.00 0.00 C ATOM 1345 C GLY A 86 14.477 -7.188 -14.729 1.00 0.00 C ATOM 1346 O GLY A 86 13.797 -8.211 -14.715 1.00 0.00 O ATOM 0 H GLY A 86 15.026 -7.621 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.509 -5.727 -13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.229 -7.324 -13.474 1.00 0.00 H new ATOM 1350 N GLU A 87 14.584 -6.420 -15.810 1.00 0.00 N ATOM 1351 CA GLU A 87 13.799 -6.642 -17.027 1.00 0.00 C ATOM 1352 C GLU A 87 13.990 -8.050 -17.625 1.00 0.00 C ATOM 1353 O GLU A 87 13.145 -8.522 -18.393 1.00 0.00 O ATOM 1354 CB GLU A 87 14.140 -5.504 -18.005 1.00 0.00 C ATOM 1355 CG GLU A 87 13.377 -5.558 -19.340 1.00 0.00 C ATOM 1356 CD GLU A 87 14.047 -6.401 -20.433 1.00 0.00 C ATOM 1357 OE1 GLU A 87 15.286 -6.551 -20.461 1.00 0.00 O ATOM 1358 OE2 GLU A 87 13.323 -6.898 -21.325 1.00 0.00 O ATOM 0 H GLU A 87 15.218 -5.623 -15.870 1.00 0.00 H new ATOM 0 HA GLU A 87 12.735 -6.615 -16.794 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.931 -4.551 -17.520 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.210 -5.528 -18.212 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.379 -5.955 -19.156 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.252 -4.541 -19.712 1.00 0.00 H new ATOM 1365 N ASN A 88 15.064 -8.744 -17.249 1.00 0.00 N ATOM 1366 CA ASN A 88 15.426 -10.058 -17.763 1.00 0.00 C ATOM 1367 C ASN A 88 14.701 -11.186 -17.038 1.00 0.00 C ATOM 1368 O ASN A 88 14.327 -12.160 -17.693 1.00 0.00 O ATOM 1369 CB ASN A 88 16.949 -10.227 -17.637 1.00 0.00 C ATOM 1370 CG ASN A 88 17.590 -9.504 -18.808 1.00 0.00 C ATOM 1371 OD1 ASN A 88 17.538 -9.956 -19.951 1.00 0.00 O ATOM 1372 ND2 ASN A 88 18.098 -8.307 -18.573 1.00 0.00 N ATOM 0 H ASN A 88 15.725 -8.393 -16.556 1.00 0.00 H new ATOM 0 HA ASN A 88 15.120 -10.118 -18.808 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.303 -9.815 -16.692 1.00 0.00 H new ATOM 0 HB3 ASN A 88 17.219 -11.283 -17.645 1.00 0.00 H new ATOM 0 HD21 ASN A 88 18.454 -7.744 -19.345 1.00 0.00 H new ATOM 0 HD22 ASN A 88 18.134 -7.946 -17.620 1.00 0.00 H new ATOM 1379 N VAL A 89 14.462 -11.087 -15.728 1.00 0.00 N ATOM 1380 CA VAL A 89 13.700 -12.099 -15.029 1.00 0.00 C ATOM 1381 C VAL A 89 12.235 -11.917 -15.426 1.00 0.00 C ATOM 1382 O VAL A 89 11.658 -10.842 -15.262 1.00 0.00 O ATOM 1383 CB VAL A 89 14.011 -12.015 -13.527 1.00 0.00 C ATOM 1384 CG1 VAL A 89 13.972 -10.635 -12.860 1.00 0.00 C ATOM 1385 CG2 VAL A 89 13.136 -12.988 -12.738 1.00 0.00 C ATOM 0 H VAL A 89 14.787 -10.318 -15.142 1.00 0.00 H new ATOM 0 HA VAL A 89 13.968 -13.119 -15.304 1.00 0.00 H new ATOM 0 HB VAL A 89 15.065 -12.290 -13.492 1.00 0.00 H new ATOM 0 HG11 VAL A 89 14.212 -10.736 -11.802 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.701 -9.980 -13.337 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.975 -10.207 -12.967 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.373 -12.912 -11.677 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.086 -12.741 -12.894 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.324 -14.006 -13.080 1.00 0.00 H new ATOM 1395 N SER A 90 11.635 -12.976 -15.959 1.00 0.00 N ATOM 1396 CA SER A 90 10.282 -12.984 -16.477 1.00 0.00 C ATOM 1397 C SER A 90 9.658 -14.359 -16.217 1.00 0.00 C ATOM 1398 O SER A 90 10.323 -15.260 -15.699 1.00 0.00 O ATOM 1399 CB SER A 90 10.382 -12.609 -17.965 1.00 0.00 C ATOM 1400 OG SER A 90 9.148 -12.151 -18.481 1.00 0.00 O ATOM 0 H SER A 90 12.098 -13.881 -16.043 1.00 0.00 H new ATOM 0 HA SER A 90 9.625 -12.265 -15.988 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.138 -11.835 -18.093 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.714 -13.476 -18.536 1.00 0.00 H new ATOM 0 HG SER A 90 9.254 -11.922 -19.428 1.00 0.00 H new ATOM 1406 N GLY A 91 8.383 -14.537 -16.559 1.00 0.00 N ATOM 1407 CA GLY A 91 7.702 -15.815 -16.438 1.00 0.00 C ATOM 1408 C GLY A 91 7.154 -16.031 -15.033 1.00 0.00 C ATOM 1409 O GLY A 91 6.781 -15.080 -14.339 1.00 0.00 O ATOM 0 H GLY A 91 7.794 -13.791 -16.930 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.885 -15.862 -17.158 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.393 -16.620 -16.687 1.00 0.00 H new ATOM 1413 N LEU A 92 7.106 -17.295 -14.602 1.00 0.00 N ATOM 1414 CA LEU A 92 6.692 -17.696 -13.257 1.00 0.00 C ATOM 1415 C LEU A 92 7.545 -16.948 -12.218 1.00 0.00 C ATOM 1416 O LEU A 92 7.051 -16.599 -11.151 1.00 0.00 O ATOM 1417 CB LEU A 92 6.796 -19.232 -13.132 1.00 0.00 C ATOM 1418 CG LEU A 92 5.974 -19.938 -12.030 1.00 0.00 C ATOM 1419 CD1 LEU A 92 6.343 -19.576 -10.588 1.00 0.00 C ATOM 1420 CD2 LEU A 92 4.466 -19.748 -12.240 1.00 0.00 C ATOM 0 H LEU A 92 7.360 -18.086 -15.194 1.00 0.00 H new ATOM 0 HA LEU A 92 5.652 -17.427 -13.070 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.506 -19.663 -14.090 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.845 -19.482 -12.975 1.00 0.00 H new ATOM 0 HG LEU A 92 6.244 -20.988 -12.147 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.704 -20.129 -9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.385 -19.835 -10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.202 -18.506 -10.434 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.921 -20.258 -11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.227 -18.685 -12.219 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.177 -20.166 -13.205 1.00 0.00 H new ATOM 1432 N GLN A 93 8.797 -16.602 -12.546 1.00 0.00 N ATOM 1433 CA GLN A 93 9.656 -15.810 -11.671 1.00 0.00 C ATOM 1434 C GLN A 93 9.000 -14.465 -11.335 1.00 0.00 C ATOM 1435 O GLN A 93 9.033 -14.035 -10.182 1.00 0.00 O ATOM 1436 CB GLN A 93 11.010 -15.559 -12.337 1.00 0.00 C ATOM 1437 CG GLN A 93 11.828 -16.820 -12.637 1.00 0.00 C ATOM 1438 CD GLN A 93 12.653 -17.224 -11.425 1.00 0.00 C ATOM 1439 OE1 GLN A 93 12.181 -17.914 -10.520 1.00 0.00 O ATOM 1440 NE2 GLN A 93 13.894 -16.779 -11.363 1.00 0.00 N ATOM 0 H GLN A 93 9.238 -16.866 -13.427 1.00 0.00 H new ATOM 0 HA GLN A 93 9.804 -16.373 -10.750 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.845 -15.021 -13.270 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.599 -14.906 -11.693 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.160 -17.635 -12.917 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.485 -16.640 -13.487 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.270 -16.209 -12.121 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.477 -17.005 -10.557 1.00 0.00 H new ATOM 1449 N ARG A 94 8.406 -13.786 -12.324 1.00 0.00 N ATOM 1450 CA ARG A 94 7.677 -12.543 -12.084 1.00 0.00 C ATOM 1451 C ARG A 94 6.414 -12.881 -11.300 1.00 0.00 C ATOM 1452 O ARG A 94 6.085 -12.168 -10.354 1.00 0.00 O ATOM 1453 CB ARG A 94 7.378 -11.826 -13.417 1.00 0.00 C ATOM 1454 CG ARG A 94 6.642 -10.481 -13.249 1.00 0.00 C ATOM 1455 CD ARG A 94 5.110 -10.620 -13.202 1.00 0.00 C ATOM 1456 NE ARG A 94 4.450 -9.340 -12.906 1.00 0.00 N ATOM 1457 CZ ARG A 94 4.108 -8.391 -13.783 1.00 0.00 C ATOM 1458 NH1 ARG A 94 4.375 -8.532 -15.069 1.00 0.00 N ATOM 1459 NH2 ARG A 94 3.493 -7.295 -13.364 1.00 0.00 N ATOM 0 H ARG A 94 8.418 -14.081 -13.300 1.00 0.00 H new ATOM 0 HA ARG A 94 8.276 -11.847 -11.496 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.316 -11.653 -13.944 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.776 -12.483 -14.045 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.983 -10.001 -12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.914 -9.822 -14.074 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.751 -11.000 -14.158 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.836 -11.353 -12.444 1.00 0.00 H new ATOM 0 HE ARG A 94 4.230 -9.157 -11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.847 -9.372 -15.403 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.109 -7.801 -15.728 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.281 -7.176 -12.373 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.231 -6.570 -14.032 1.00 0.00 H new ATOM 1473 N ALA A 95 5.703 -13.951 -11.676 1.00 0.00 N ATOM 1474 CA ALA A 95 4.468 -14.364 -11.015 1.00 0.00 C ATOM 1475 C ALA A 95 4.671 -14.613 -9.517 1.00 0.00 C ATOM 1476 O ALA A 95 3.731 -14.412 -8.742 1.00 0.00 O ATOM 1477 CB ALA A 95 3.885 -15.608 -11.689 1.00 0.00 C ATOM 0 H ALA A 95 5.973 -14.555 -12.452 1.00 0.00 H new ATOM 0 HA ALA A 95 3.759 -13.542 -11.116 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.965 -15.899 -11.182 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.669 -15.388 -12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.605 -16.424 -11.632 1.00 0.00 H new ATOM 1483 N LYS A 96 5.861 -15.058 -9.085 1.00 0.00 N ATOM 1484 CA LYS A 96 6.180 -15.232 -7.669 1.00 0.00 C ATOM 1485 C LYS A 96 6.026 -13.894 -7.007 1.00 0.00 C ATOM 1486 O LYS A 96 5.134 -13.737 -6.187 1.00 0.00 O ATOM 1487 CB LYS A 96 7.633 -15.704 -7.451 1.00 0.00 C ATOM 1488 CG LYS A 96 7.919 -17.192 -7.633 1.00 0.00 C ATOM 1489 CD LYS A 96 9.439 -17.406 -7.721 1.00 0.00 C ATOM 1490 CE LYS A 96 9.783 -18.894 -7.712 1.00 0.00 C ATOM 1491 NZ LYS A 96 11.165 -19.159 -8.162 1.00 0.00 N ATOM 0 H LYS A 96 6.626 -15.306 -9.712 1.00 0.00 H new ATOM 0 HA LYS A 96 5.514 -15.988 -7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.274 -15.151 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.931 -15.424 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.507 -17.759 -6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.435 -17.560 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.823 -16.946 -8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.929 -16.911 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.651 -19.288 -6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.086 -19.429 -8.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.280 -20.176 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.355 -18.623 -9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.834 -18.865 -7.422 1.00 0.00 H new ATOM 1505 N THR A 97 6.808 -12.910 -7.428 1.00 0.00 N ATOM 1506 CA THR A 97 6.731 -11.571 -6.894 1.00 0.00 C ATOM 1507 C THR A 97 5.294 -11.035 -6.979 1.00 0.00 C ATOM 1508 O THR A 97 4.799 -10.460 -6.009 1.00 0.00 O ATOM 1509 CB THR A 97 7.767 -10.740 -7.653 1.00 0.00 C ATOM 1510 OG1 THR A 97 9.051 -11.295 -7.435 1.00 0.00 O ATOM 1511 CG2 THR A 97 7.763 -9.280 -7.231 1.00 0.00 C ATOM 0 H THR A 97 7.515 -13.026 -8.154 1.00 0.00 H new ATOM 0 HA THR A 97 6.967 -11.530 -5.831 1.00 0.00 H new ATOM 0 HB THR A 97 7.508 -10.769 -8.711 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.721 -10.769 -7.920 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.516 -8.735 -7.800 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.781 -8.848 -7.423 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.989 -9.208 -6.167 1.00 0.00 H new ATOM 1519 N GLY A 98 4.584 -11.308 -8.076 1.00 0.00 N ATOM 1520 CA GLY A 98 3.190 -10.928 -8.248 1.00 0.00 C ATOM 1521 C GLY A 98 2.238 -11.553 -7.230 1.00 0.00 C ATOM 1522 O GLY A 98 1.168 -10.994 -6.967 1.00 0.00 O ATOM 0 H GLY A 98 4.971 -11.806 -8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.111 -9.843 -8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.869 -11.212 -9.250 1.00 0.00 H new ATOM 1526 N THR A 99 2.626 -12.669 -6.617 1.00 0.00 N ATOM 1527 CA THR A 99 1.864 -13.370 -5.589 1.00 0.00 C ATOM 1528 C THR A 99 2.503 -13.219 -4.198 1.00 0.00 C ATOM 1529 O THR A 99 1.838 -13.474 -3.195 1.00 0.00 O ATOM 1530 CB THR A 99 1.754 -14.834 -6.044 1.00 0.00 C ATOM 1531 OG1 THR A 99 1.158 -14.844 -7.330 1.00 0.00 O ATOM 1532 CG2 THR A 99 0.900 -15.712 -5.130 1.00 0.00 C ATOM 0 H THR A 99 3.512 -13.126 -6.831 1.00 0.00 H new ATOM 0 HA THR A 99 0.868 -12.940 -5.478 1.00 0.00 H new ATOM 0 HB THR A 99 2.763 -15.246 -6.029 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.849 -14.709 -8.012 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.874 -16.729 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.330 -15.720 -4.128 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.114 -15.314 -5.087 1.00 0.00 H new ATOM 1540 N ASP A 100 3.703 -12.646 -4.113 1.00 0.00 N ATOM 1541 CA ASP A 100 4.479 -12.523 -2.888 1.00 0.00 C ATOM 1542 C ASP A 100 4.425 -11.117 -2.313 1.00 0.00 C ATOM 1543 O ASP A 100 4.591 -10.967 -1.106 1.00 0.00 O ATOM 1544 CB ASP A 100 5.962 -12.775 -3.183 1.00 0.00 C ATOM 1545 CG ASP A 100 6.378 -14.206 -3.515 1.00 0.00 C ATOM 1546 OD1 ASP A 100 5.736 -15.169 -3.041 1.00 0.00 O ATOM 1547 OD2 ASP A 100 7.408 -14.351 -4.211 1.00 0.00 O ATOM 0 H ASP A 100 4.174 -12.243 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 100 4.054 -13.243 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.253 -12.137 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.538 -12.449 -2.317 1.00 0.00 H new ATOM 1552 N LYS A 101 4.171 -10.070 -3.110 1.00 0.00 N ATOM 1553 CA LYS A 101 4.117 -8.708 -2.561 1.00 0.00 C ATOM 1554 C LYS A 101 3.106 -8.607 -1.420 1.00 0.00 C ATOM 1555 O LYS A 101 3.375 -7.917 -0.445 1.00 0.00 O ATOM 1556 CB LYS A 101 3.899 -7.655 -3.657 1.00 0.00 C ATOM 1557 CG LYS A 101 5.171 -7.444 -4.496 1.00 0.00 C ATOM 1558 CD LYS A 101 4.974 -6.536 -5.711 1.00 0.00 C ATOM 1559 CE LYS A 101 4.867 -5.076 -5.264 1.00 0.00 C ATOM 1560 NZ LYS A 101 5.014 -4.149 -6.401 1.00 0.00 N ATOM 0 H LYS A 101 4.003 -10.136 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 101 5.092 -8.486 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.081 -7.968 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 101 3.601 -6.710 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.947 -7.018 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.534 -8.414 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.809 -6.653 -6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.072 -6.827 -6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.903 -4.912 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.635 -4.865 -4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.731 -3.431 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.311 -4.679 -7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.104 -3.682 -6.588 1.00 0.00 H new ATOM 1574 N THR A 102 2.006 -9.359 -1.464 1.00 0.00 N ATOM 1575 CA THR A 102 1.030 -9.397 -0.383 1.00 0.00 C ATOM 1576 C THR A 102 1.656 -9.864 0.947 1.00 0.00 C ATOM 1577 O THR A 102 1.285 -9.350 1.999 1.00 0.00 O ATOM 1578 CB THR A 102 -0.147 -10.289 -0.809 1.00 0.00 C ATOM 1579 OG1 THR A 102 -1.259 -10.082 0.036 1.00 0.00 O ATOM 1580 CG2 THR A 102 0.231 -11.770 -0.787 1.00 0.00 C ATOM 0 H THR A 102 1.769 -9.959 -2.254 1.00 0.00 H new ATOM 0 HA THR A 102 0.665 -8.387 -0.198 1.00 0.00 H new ATOM 0 HB THR A 102 -0.406 -10.011 -1.831 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.999 -10.657 -0.251 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.626 -12.369 -1.094 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.060 -11.944 -1.473 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.530 -12.054 0.222 1.00 0.00 H new ATOM 1588 N LEU A 103 2.598 -10.816 0.914 1.00 0.00 N ATOM 1589 CA LEU A 103 3.221 -11.422 2.086 1.00 0.00 C ATOM 1590 C LEU A 103 3.982 -10.359 2.856 1.00 0.00 C ATOM 1591 O LEU A 103 3.661 -10.046 4.000 1.00 0.00 O ATOM 1592 CB LEU A 103 4.169 -12.558 1.677 1.00 0.00 C ATOM 1593 CG LEU A 103 3.506 -13.875 1.244 1.00 0.00 C ATOM 1594 CD1 LEU A 103 4.598 -14.942 1.248 1.00 0.00 C ATOM 1595 CD2 LEU A 103 2.364 -14.364 2.148 1.00 0.00 C ATOM 0 H LEU A 103 2.956 -11.195 0.037 1.00 0.00 H new ATOM 0 HA LEU A 103 2.441 -11.845 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.794 -12.204 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.833 -12.769 2.516 1.00 0.00 H new ATOM 0 HG LEU A 103 3.055 -13.696 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.173 -15.899 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.386 -14.659 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.016 -15.031 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.964 -15.299 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.743 -14.526 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.573 -13.614 2.173 1.00 0.00 H new ATOM 1607 N VAL A 104 5.006 -9.800 2.225 1.00 0.00 N ATOM 1608 CA VAL A 104 5.772 -8.711 2.800 1.00 0.00 C ATOM 1609 C VAL A 104 4.849 -7.519 3.082 1.00 0.00 C ATOM 1610 O VAL A 104 5.034 -6.885 4.119 1.00 0.00 O ATOM 1611 CB VAL A 104 7.026 -8.447 1.935 1.00 0.00 C ATOM 1612 CG1 VAL A 104 6.786 -8.567 0.423 1.00 0.00 C ATOM 1613 CG2 VAL A 104 7.686 -7.092 2.224 1.00 0.00 C ATOM 0 H VAL A 104 5.326 -10.091 1.301 1.00 0.00 H new ATOM 0 HA VAL A 104 6.177 -8.961 3.781 1.00 0.00 H new ATOM 0 HB VAL A 104 7.704 -9.247 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.716 -8.367 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.443 -9.574 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.029 -7.845 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.560 -6.969 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.974 -6.291 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.993 -7.052 3.269 1.00 0.00 H new ATOM 1623 N LYS A 105 3.794 -7.264 2.289 1.00 0.00 N ATOM 1624 CA LYS A 105 2.862 -6.173 2.595 1.00 0.00 C ATOM 1625 C LYS A 105 2.161 -6.429 3.928 1.00 0.00 C ATOM 1626 O LYS A 105 2.005 -5.494 4.706 1.00 0.00 O ATOM 1627 CB LYS A 105 1.901 -5.960 1.416 1.00 0.00 C ATOM 1628 CG LYS A 105 0.752 -4.963 1.662 1.00 0.00 C ATOM 1629 CD LYS A 105 -0.587 -5.697 1.829 1.00 0.00 C ATOM 1630 CE LYS A 105 -1.078 -6.208 0.469 1.00 0.00 C ATOM 1631 NZ LYS A 105 -1.957 -7.386 0.583 1.00 0.00 N ATOM 0 H LYS A 105 3.570 -7.791 1.445 1.00 0.00 H new ATOM 0 HA LYS A 105 3.406 -5.237 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.479 -5.616 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 105 1.470 -6.923 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.962 -4.374 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 105 0.687 -4.265 0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.470 -6.532 2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.328 -5.025 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.615 -5.408 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.218 -6.461 -0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.766 -7.279 -0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.424 -8.243 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.302 -7.468 1.561 1.00 0.00 H new ATOM 1645 N GLU A 106 1.814 -7.676 4.255 1.00 0.00 N ATOM 1646 CA GLU A 106 1.210 -8.018 5.538 1.00 0.00 C ATOM 1647 C GLU A 106 2.137 -7.658 6.706 1.00 0.00 C ATOM 1648 O GLU A 106 1.642 -7.467 7.819 1.00 0.00 O ATOM 1649 CB GLU A 106 0.785 -9.496 5.591 1.00 0.00 C ATOM 1650 CG GLU A 106 -0.421 -9.786 4.682 1.00 0.00 C ATOM 1651 CD GLU A 106 -1.668 -10.199 5.468 1.00 0.00 C ATOM 1652 OE1 GLU A 106 -2.095 -9.434 6.370 1.00 0.00 O ATOM 1653 OE2 GLU A 106 -2.236 -11.273 5.157 1.00 0.00 O ATOM 0 H GLU A 106 1.945 -8.475 3.635 1.00 0.00 H new ATOM 0 HA GLU A 106 0.305 -7.419 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.624 -10.124 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.537 -9.764 6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.647 -8.899 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.160 -10.578 3.981 1.00 0.00 H new ATOM 1660 N VAL A 107 3.457 -7.580 6.517 1.00 0.00 N ATOM 1661 CA VAL A 107 4.406 -7.148 7.546 1.00 0.00 C ATOM 1662 C VAL A 107 4.453 -5.616 7.496 1.00 0.00 C ATOM 1663 O VAL A 107 4.198 -4.931 8.490 1.00 0.00 O ATOM 1664 CB VAL A 107 5.811 -7.759 7.300 1.00 0.00 C ATOM 1665 CG1 VAL A 107 6.794 -7.315 8.399 1.00 0.00 C ATOM 1666 CG2 VAL A 107 5.769 -9.290 7.285 1.00 0.00 C ATOM 0 H VAL A 107 3.903 -7.819 5.631 1.00 0.00 H new ATOM 0 HA VAL A 107 4.088 -7.490 8.531 1.00 0.00 H new ATOM 0 HB VAL A 107 6.144 -7.400 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 107 7.774 -7.753 8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.876 -6.228 8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 107 6.429 -7.649 9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.772 -9.680 7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.401 -9.653 8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.105 -9.628 6.490 1.00 0.00 H new ATOM 1676 N VAL A 108 4.721 -5.090 6.309 1.00 0.00 N ATOM 1677 CA VAL A 108 4.926 -3.705 5.920 1.00 0.00 C ATOM 1678 C VAL A 108 3.627 -2.866 5.933 1.00 0.00 C ATOM 1679 O VAL A 108 3.653 -1.735 5.474 1.00 0.00 O ATOM 1680 CB VAL A 108 5.702 -3.788 4.567 1.00 0.00 C ATOM 1681 CG1 VAL A 108 5.919 -2.500 3.779 1.00 0.00 C ATOM 1682 CG2 VAL A 108 7.112 -4.373 4.810 1.00 0.00 C ATOM 0 H VAL A 108 4.810 -5.702 5.498 1.00 0.00 H new ATOM 0 HA VAL A 108 5.517 -3.139 6.640 1.00 0.00 H new ATOM 0 HB VAL A 108 5.038 -4.406 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.472 -2.721 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.954 -2.063 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.487 -1.794 4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.650 -4.429 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.658 -3.731 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.023 -5.372 5.237 1.00 0.00 H new ATOM 1692 N GLN A 109 2.514 -3.316 6.533 1.00 0.00 N ATOM 1693 CA GLN A 109 1.218 -2.612 6.508 1.00 0.00 C ATOM 1694 C GLN A 109 1.275 -1.121 6.900 1.00 0.00 C ATOM 1695 O GLN A 109 0.489 -0.327 6.372 1.00 0.00 O ATOM 1696 CB GLN A 109 0.255 -3.305 7.494 1.00 0.00 C ATOM 1697 CG GLN A 109 -0.366 -4.623 7.016 1.00 0.00 C ATOM 1698 CD GLN A 109 -1.443 -4.417 5.955 1.00 0.00 C ATOM 1699 OE1 GLN A 109 -1.305 -4.808 4.805 1.00 0.00 O ATOM 1700 NE2 GLN A 109 -2.563 -3.800 6.296 1.00 0.00 N ATOM 0 H GLN A 109 2.486 -4.191 7.057 1.00 0.00 H new ATOM 0 HA GLN A 109 0.886 -2.658 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.793 -3.496 8.422 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.552 -2.611 7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.418 -5.264 6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.798 -5.147 7.869 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.692 -3.468 7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.297 -3.656 5.603 1.00 0.00 H new ATOM 1709 N ASN A 110 2.249 -0.694 7.708 1.00 0.00 N ATOM 1710 CA ASN A 110 2.456 0.707 8.080 1.00 0.00 C ATOM 1711 C ASN A 110 3.442 1.358 7.106 1.00 0.00 C ATOM 1712 O ASN A 110 4.437 1.969 7.499 1.00 0.00 O ATOM 1713 CB ASN A 110 2.880 0.807 9.551 1.00 0.00 C ATOM 1714 CG ASN A 110 3.055 2.244 10.031 1.00 0.00 C ATOM 1715 OD1 ASN A 110 2.371 3.167 9.596 1.00 0.00 O ATOM 1716 ND2 ASN A 110 3.965 2.464 10.962 1.00 0.00 N ATOM 0 H ASN A 110 2.929 -1.326 8.130 1.00 0.00 H new ATOM 0 HA ASN A 110 1.524 1.265 7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 110 2.133 0.312 10.172 1.00 0.00 H new ATOM 0 HB3 ASN A 110 3.817 0.268 9.689 1.00 0.00 H new ATOM 0 HD21 ASN A 110 4.105 3.407 11.326 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.528 1.691 11.317 1.00 0.00 H new ATOM 1723 N PHE A 111 3.157 1.224 5.813 1.00 0.00 N ATOM 1724 CA PHE A 111 3.897 1.795 4.693 1.00 0.00 C ATOM 1725 C PHE A 111 3.031 2.771 3.920 1.00 0.00 C ATOM 1726 O PHE A 111 1.871 3.002 4.277 1.00 0.00 O ATOM 1727 CB PHE A 111 4.489 0.726 3.764 1.00 0.00 C ATOM 1728 CG PHE A 111 3.555 0.061 2.751 1.00 0.00 C ATOM 1729 CD1 PHE A 111 2.257 -0.374 3.096 1.00 0.00 C ATOM 1730 CD2 PHE A 111 4.013 -0.156 1.436 1.00 0.00 C ATOM 1731 CE1 PHE A 111 1.429 -0.992 2.143 1.00 0.00 C ATOM 1732 CE2 PHE A 111 3.184 -0.780 0.487 1.00 0.00 C ATOM 1733 CZ PHE A 111 1.888 -1.190 0.832 1.00 0.00 C ATOM 0 H PHE A 111 2.353 0.680 5.501 1.00 0.00 H new ATOM 0 HA PHE A 111 4.742 2.337 5.117 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.311 1.181 3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.919 -0.058 4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.896 -0.230 4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 111 5.007 0.159 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.437 -1.315 2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.548 -0.945 -0.516 1.00 0.00 H new ATOM 0 HZ PHE A 111 1.249 -1.654 0.095 1.00 0.00 H new ATOM 1743 N ALA A 112 3.615 3.415 2.916 1.00 0.00 N ATOM 1744 CA ALA A 112 2.892 4.307 2.037 1.00 0.00 C ATOM 1745 C ALA A 112 2.319 3.515 0.866 1.00 0.00 C ATOM 1746 O ALA A 112 1.109 3.305 0.811 1.00 0.00 O ATOM 1747 CB ALA A 112 3.882 5.375 1.566 1.00 0.00 C ATOM 0 H ALA A 112 4.607 3.328 2.694 1.00 0.00 H new ATOM 0 HA ALA A 112 2.054 4.783 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.375 6.071 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.270 5.917 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.707 4.898 1.036 1.00 0.00 H new ATOM 1753 N LYS A 113 3.200 2.997 0.009 1.00 0.00 N ATOM 1754 CA LYS A 113 2.943 2.277 -1.232 1.00 0.00 C ATOM 1755 C LYS A 113 4.220 1.572 -1.661 1.00 0.00 C ATOM 1756 O LYS A 113 5.253 1.689 -1.002 1.00 0.00 O ATOM 1757 CB LYS A 113 2.440 3.234 -2.335 1.00 0.00 C ATOM 1758 CG LYS A 113 0.938 3.530 -2.222 1.00 0.00 C ATOM 1759 CD LYS A 113 0.529 4.955 -1.823 1.00 0.00 C ATOM 1760 CE LYS A 113 -1.000 5.016 -1.722 1.00 0.00 C ATOM 1761 NZ LYS A 113 -1.644 4.946 -3.051 1.00 0.00 N ATOM 0 H LYS A 113 4.201 3.080 0.185 1.00 0.00 H new ATOM 0 HA LYS A 113 2.158 1.539 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 113 2.996 4.170 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.648 2.797 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.476 3.303 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.512 2.840 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 113 0.982 5.225 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 113 0.888 5.672 -2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.356 4.193 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.294 5.940 -1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.651 5.192 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.179 5.615 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.556 3.981 -3.429 1.00 0.00 H new ATOM 1775 N GLU A 114 4.141 0.804 -2.734 1.00 0.00 N ATOM 1776 CA GLU A 114 5.252 0.050 -3.296 1.00 0.00 C ATOM 1777 C GLU A 114 5.651 0.575 -4.671 1.00 0.00 C ATOM 1778 O GLU A 114 4.985 1.462 -5.209 1.00 0.00 O ATOM 1779 CB GLU A 114 4.896 -1.435 -3.274 1.00 0.00 C ATOM 1780 CG GLU A 114 3.668 -1.788 -4.132 1.00 0.00 C ATOM 1781 CD GLU A 114 2.685 -2.707 -3.403 1.00 0.00 C ATOM 1782 OE1 GLU A 114 3.062 -3.852 -3.060 1.00 0.00 O ATOM 1783 OE2 GLU A 114 1.529 -2.279 -3.191 1.00 0.00 O ATOM 0 H GLU A 114 3.273 0.683 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 114 6.146 0.184 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.752 -2.010 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.709 -1.740 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.156 -0.870 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.999 -2.272 -5.051 1.00 0.00 H new ATOM 1790 N PHE A 115 6.742 0.048 -5.229 1.00 0.00 N ATOM 1791 CA PHE A 115 7.300 0.506 -6.497 1.00 0.00 C ATOM 1792 C PHE A 115 7.914 -0.753 -7.146 1.00 0.00 C ATOM 1793 O PHE A 115 8.253 -1.708 -6.431 1.00 0.00 O ATOM 1794 CB PHE A 115 8.378 1.552 -6.129 1.00 0.00 C ATOM 1795 CG PHE A 115 8.782 2.577 -7.175 1.00 0.00 C ATOM 1796 CD1 PHE A 115 9.289 2.257 -8.446 1.00 0.00 C ATOM 1797 CD2 PHE A 115 8.612 3.934 -6.830 1.00 0.00 C ATOM 1798 CE1 PHE A 115 9.612 3.277 -9.358 1.00 0.00 C ATOM 1799 CE2 PHE A 115 8.931 4.953 -7.737 1.00 0.00 C ATOM 1800 CZ PHE A 115 9.423 4.624 -9.006 1.00 0.00 C ATOM 0 H PHE A 115 7.267 -0.717 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 115 6.586 0.960 -7.185 1.00 0.00 H new ATOM 0 HB2 PHE A 115 8.027 2.095 -5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 115 9.276 1.011 -5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 115 9.431 1.223 -8.723 1.00 0.00 H new ATOM 0 HD2 PHE A 115 8.231 4.191 -5.853 1.00 0.00 H new ATOM 0 HE1 PHE A 115 10.006 3.025 -10.331 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.798 5.988 -7.459 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.657 5.405 -9.714 1.00 0.00 H new ATOM 1810 N VAL A 116 8.066 -0.791 -8.471 1.00 0.00 N ATOM 1811 CA VAL A 116 8.720 -1.888 -9.190 1.00 0.00 C ATOM 1812 C VAL A 116 9.766 -1.260 -10.108 1.00 0.00 C ATOM 1813 O VAL A 116 9.442 -0.375 -10.900 1.00 0.00 O ATOM 1814 CB VAL A 116 7.734 -2.790 -9.958 1.00 0.00 C ATOM 1815 CG1 VAL A 116 8.468 -4.050 -10.449 1.00 0.00 C ATOM 1816 CG2 VAL A 116 6.574 -3.263 -9.072 1.00 0.00 C ATOM 0 H VAL A 116 7.733 -0.048 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 116 9.191 -2.563 -8.475 1.00 0.00 H new ATOM 0 HB VAL A 116 7.340 -2.198 -10.784 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.771 -4.688 -10.992 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.286 -3.761 -11.109 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.868 -4.595 -9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.905 -3.895 -9.655 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.968 -3.832 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 116 6.024 -2.398 -8.701 1.00 0.00 H new ATOM 1826 N ILE A 117 11.013 -1.703 -9.979 1.00 0.00 N ATOM 1827 CA ILE A 117 12.176 -1.188 -10.684 1.00 0.00 C ATOM 1828 C ILE A 117 12.850 -2.360 -11.395 1.00 0.00 C ATOM 1829 O ILE A 117 12.944 -3.454 -10.833 1.00 0.00 O ATOM 1830 CB ILE A 117 13.051 -0.476 -9.633 1.00 0.00 C ATOM 1831 CG1 ILE A 117 12.415 0.860 -9.185 1.00 0.00 C ATOM 1832 CG2 ILE A 117 14.460 -0.176 -10.125 1.00 0.00 C ATOM 1833 CD1 ILE A 117 12.175 0.915 -7.680 1.00 0.00 C ATOM 0 H ILE A 117 11.248 -2.469 -9.348 1.00 0.00 H new ATOM 0 HA ILE A 117 11.945 -0.458 -11.460 1.00 0.00 H new ATOM 0 HB ILE A 117 13.113 -1.175 -8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 117 13.066 1.685 -9.477 1.00 0.00 H new ATOM 0 HG13 ILE A 117 11.468 1.001 -9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 117 15.022 0.325 -9.337 1.00 0.00 H new ATOM 0 HG22 ILE A 117 14.959 -1.108 -10.390 1.00 0.00 H new ATOM 0 HG23 ILE A 117 14.410 0.470 -11.001 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.727 1.874 -7.418 1.00 0.00 H new ATOM 0 HD12 ILE A 117 11.502 0.108 -7.389 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.124 0.802 -7.156 1.00 0.00 H new ATOM 1845 N SER A 118 13.338 -2.105 -12.609 1.00 0.00 N ATOM 1846 CA SER A 118 13.937 -3.095 -13.494 1.00 0.00 C ATOM 1847 C SER A 118 15.280 -2.691 -14.089 1.00 0.00 C ATOM 1848 O SER A 118 15.936 -3.536 -14.702 1.00 0.00 O ATOM 1849 CB SER A 118 12.952 -3.337 -14.640 1.00 0.00 C ATOM 1850 OG SER A 118 12.458 -2.108 -15.157 1.00 0.00 O ATOM 0 H SER A 118 13.325 -1.169 -13.014 1.00 0.00 H new ATOM 0 HA SER A 118 14.133 -3.983 -12.893 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.444 -3.898 -15.435 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.121 -3.947 -14.287 1.00 0.00 H new ATOM 0 HG SER A 118 11.832 -2.289 -15.889 1.00 0.00 H new ATOM 1856 N ASP A 119 15.694 -1.432 -13.928 1.00 0.00 N ATOM 1857 CA ASP A 119 16.922 -0.918 -14.529 1.00 0.00 C ATOM 1858 C ASP A 119 17.581 0.115 -13.616 1.00 0.00 C ATOM 1859 O ASP A 119 16.918 0.700 -12.757 1.00 0.00 O ATOM 1860 CB ASP A 119 16.604 -0.293 -15.894 1.00 0.00 C ATOM 1861 CG ASP A 119 17.884 0.221 -16.549 1.00 0.00 C ATOM 1862 OD1 ASP A 119 18.756 -0.600 -16.911 1.00 0.00 O ATOM 1863 OD2 ASP A 119 18.088 1.454 -16.579 1.00 0.00 O ATOM 0 H ASP A 119 15.185 -0.741 -13.376 1.00 0.00 H new ATOM 0 HA ASP A 119 17.619 -1.745 -14.664 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.128 -1.032 -16.539 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.895 0.526 -15.771 1.00 0.00 H new ATOM 1868 N ARG A 120 18.877 0.374 -13.826 1.00 0.00 N ATOM 1869 CA ARG A 120 19.662 1.379 -13.114 1.00 0.00 C ATOM 1870 C ARG A 120 18.990 2.752 -13.176 1.00 0.00 C ATOM 1871 O ARG A 120 18.941 3.440 -12.160 1.00 0.00 O ATOM 1872 CB ARG A 120 21.078 1.407 -13.726 1.00 0.00 C ATOM 1873 CG ARG A 120 22.115 2.248 -12.961 1.00 0.00 C ATOM 1874 CD ARG A 120 22.384 1.698 -11.556 1.00 0.00 C ATOM 1875 NE ARG A 120 23.578 2.303 -10.930 1.00 0.00 N ATOM 1876 CZ ARG A 120 24.723 1.666 -10.635 1.00 0.00 C ATOM 1877 NH1 ARG A 120 24.991 0.470 -11.138 1.00 0.00 N ATOM 1878 NH2 ARG A 120 25.600 2.209 -9.798 1.00 0.00 N ATOM 0 H ARG A 120 19.424 -0.131 -14.523 1.00 0.00 H new ATOM 0 HA ARG A 120 19.729 1.119 -12.058 1.00 0.00 H new ATOM 0 HB2 ARG A 120 21.446 0.383 -13.794 1.00 0.00 H new ATOM 0 HB3 ARG A 120 21.007 1.789 -14.745 1.00 0.00 H new ATOM 0 HG2 ARG A 120 23.048 2.272 -13.525 1.00 0.00 H new ATOM 0 HG3 ARG A 120 21.762 3.276 -12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 120 21.514 1.882 -10.925 1.00 0.00 H new ATOM 0 HD3 ARG A 120 22.515 0.617 -11.611 1.00 0.00 H new ATOM 0 HE ARG A 120 23.528 3.296 -10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 120 24.322 0.017 -11.761 1.00 0.00 H new ATOM 0 HH12 ARG A 120 25.866 0.002 -10.902 1.00 0.00 H new ATOM 0 HH21 ARG A 120 25.406 3.116 -9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 120 26.467 1.719 -9.579 1.00 0.00 H new ATOM 1892 N LYS A 121 18.465 3.156 -14.336 1.00 0.00 N ATOM 1893 CA LYS A 121 17.814 4.447 -14.497 1.00 0.00 C ATOM 1894 C LYS A 121 16.513 4.532 -13.709 1.00 0.00 C ATOM 1895 O LYS A 121 16.202 5.599 -13.185 1.00 0.00 O ATOM 1896 CB LYS A 121 17.563 4.731 -15.984 1.00 0.00 C ATOM 1897 CG LYS A 121 18.872 5.066 -16.713 1.00 0.00 C ATOM 1898 CD LYS A 121 18.575 5.765 -18.046 1.00 0.00 C ATOM 1899 CE LYS A 121 19.850 6.164 -18.798 1.00 0.00 C ATOM 1900 NZ LYS A 121 20.631 7.180 -18.059 1.00 0.00 N ATOM 0 H LYS A 121 18.482 2.593 -15.186 1.00 0.00 H new ATOM 0 HA LYS A 121 18.484 5.207 -14.096 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.096 3.863 -16.449 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.864 5.561 -16.086 1.00 0.00 H new ATOM 0 HG2 LYS A 121 19.490 5.709 -16.087 1.00 0.00 H new ATOM 0 HG3 LYS A 121 19.441 4.153 -16.892 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.979 5.103 -18.674 1.00 0.00 H new ATOM 0 HD3 LYS A 121 17.974 6.655 -17.860 1.00 0.00 H new ATOM 0 HE2 LYS A 121 20.467 5.280 -18.961 1.00 0.00 H new ATOM 0 HE3 LYS A 121 19.585 6.554 -19.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 21.400 7.534 -18.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 20.009 7.969 -17.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 21.035 6.752 -17.202 1.00 0.00 H new ATOM 1914 N GLU A 122 15.752 3.442 -13.639 1.00 0.00 N ATOM 1915 CA GLU A 122 14.505 3.366 -12.881 1.00 0.00 C ATOM 1916 C GLU A 122 14.792 3.352 -11.369 1.00 0.00 C ATOM 1917 O GLU A 122 13.930 3.695 -10.570 1.00 0.00 O ATOM 1918 CB GLU A 122 13.702 2.145 -13.361 1.00 0.00 C ATOM 1919 CG GLU A 122 12.235 2.085 -12.894 1.00 0.00 C ATOM 1920 CD GLU A 122 11.262 2.921 -13.737 1.00 0.00 C ATOM 1921 OE1 GLU A 122 11.259 4.174 -13.691 1.00 0.00 O ATOM 1922 OE2 GLU A 122 10.423 2.321 -14.444 1.00 0.00 O ATOM 0 H GLU A 122 15.989 2.572 -14.116 1.00 0.00 H new ATOM 0 HA GLU A 122 13.895 4.251 -13.060 1.00 0.00 H new ATOM 0 HB2 GLU A 122 13.718 2.128 -14.451 1.00 0.00 H new ATOM 0 HB3 GLU A 122 14.210 1.243 -13.021 1.00 0.00 H new ATOM 0 HG2 GLU A 122 11.906 1.046 -12.906 1.00 0.00 H new ATOM 0 HG3 GLU A 122 12.183 2.424 -11.859 1.00 0.00 H new ATOM 1929 N LEU A 123 15.988 2.932 -10.954 1.00 0.00 N ATOM 1930 CA LEU A 123 16.366 2.796 -9.551 1.00 0.00 C ATOM 1931 C LEU A 123 16.777 4.119 -8.902 1.00 0.00 C ATOM 1932 O LEU A 123 16.689 4.241 -7.681 1.00 0.00 O ATOM 1933 CB LEU A 123 17.492 1.747 -9.511 1.00 0.00 C ATOM 1934 CG LEU A 123 18.009 1.215 -8.173 1.00 0.00 C ATOM 1935 CD1 LEU A 123 19.027 2.131 -7.502 1.00 0.00 C ATOM 1936 CD2 LEU A 123 16.899 0.787 -7.213 1.00 0.00 C ATOM 0 H LEU A 123 16.734 2.672 -11.599 1.00 0.00 H new ATOM 0 HA LEU A 123 15.508 2.476 -8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 123 17.152 0.888 -10.089 1.00 0.00 H new ATOM 0 HB3 LEU A 123 18.345 2.170 -10.041 1.00 0.00 H new ATOM 0 HG LEU A 123 18.549 0.305 -8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 123 19.348 1.689 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 123 19.890 2.257 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 123 18.572 3.103 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 123 17.341 0.421 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 123 16.256 1.640 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 123 16.308 -0.006 -7.671 1.00 0.00 H new ATOM 1948 N GLU A 124 17.234 5.102 -9.677 1.00 0.00 N ATOM 1949 CA GLU A 124 17.734 6.368 -9.149 1.00 0.00 C ATOM 1950 C GLU A 124 16.642 7.127 -8.377 1.00 0.00 C ATOM 1951 O GLU A 124 15.612 7.494 -8.946 1.00 0.00 O ATOM 1952 CB GLU A 124 18.251 7.233 -10.312 1.00 0.00 C ATOM 1953 CG GLU A 124 19.628 6.789 -10.832 1.00 0.00 C ATOM 1954 CD GLU A 124 20.756 7.541 -10.126 1.00 0.00 C ATOM 1955 OE1 GLU A 124 21.126 7.180 -8.986 1.00 0.00 O ATOM 1956 OE2 GLU A 124 21.259 8.548 -10.684 1.00 0.00 O ATOM 0 H GLU A 124 17.267 5.041 -10.695 1.00 0.00 H new ATOM 0 HA GLU A 124 18.545 6.155 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.532 7.197 -11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.311 8.271 -9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 124 19.750 5.717 -10.677 1.00 0.00 H new ATOM 0 HG3 GLU A 124 19.688 6.964 -11.906 1.00 0.00 H new ATOM 1963 N GLU A 125 16.906 7.459 -7.108 1.00 0.00 N ATOM 1964 CA GLU A 125 16.006 8.252 -6.270 1.00 0.00 C ATOM 1965 C GLU A 125 15.586 9.598 -6.843 1.00 0.00 C ATOM 1966 O GLU A 125 14.553 10.140 -6.448 1.00 0.00 O ATOM 1967 CB GLU A 125 16.581 8.478 -4.866 1.00 0.00 C ATOM 1968 CG GLU A 125 16.371 7.308 -3.899 1.00 0.00 C ATOM 1969 CD GLU A 125 15.164 7.503 -2.959 1.00 0.00 C ATOM 1970 OE1 GLU A 125 14.621 8.630 -2.830 1.00 0.00 O ATOM 1971 OE2 GLU A 125 14.889 6.579 -2.167 1.00 0.00 O ATOM 0 H GLU A 125 17.763 7.180 -6.630 1.00 0.00 H new ATOM 0 HA GLU A 125 15.108 7.636 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 125 17.650 8.675 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 125 16.125 9.372 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 125 16.232 6.392 -4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 125 17.272 7.175 -3.300 1.00 0.00 H new ATOM 1978 N ASP A 126 16.382 10.155 -7.749 1.00 0.00 N ATOM 1979 CA ASP A 126 16.141 11.473 -8.297 1.00 0.00 C ATOM 1980 C ASP A 126 14.771 11.639 -8.944 1.00 0.00 C ATOM 1981 O ASP A 126 14.065 12.598 -8.612 1.00 0.00 O ATOM 1982 CB ASP A 126 17.268 11.864 -9.249 1.00 0.00 C ATOM 1983 CG ASP A 126 17.125 13.341 -9.596 1.00 0.00 C ATOM 1984 OD1 ASP A 126 17.378 14.159 -8.687 1.00 0.00 O ATOM 1985 OD2 ASP A 126 16.737 13.639 -10.750 1.00 0.00 O ATOM 0 H ASP A 126 17.214 9.698 -8.122 1.00 0.00 H new ATOM 0 HA ASP A 126 16.133 12.161 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 126 18.236 11.677 -8.785 1.00 0.00 H new ATOM 0 HB3 ASP A 126 17.226 11.258 -10.154 1.00 0.00 H new ATOM 1990 N PHE A 127 14.359 10.729 -9.839 1.00 0.00 N ATOM 1991 CA PHE A 127 13.021 10.863 -10.417 1.00 0.00 C ATOM 1992 C PHE A 127 12.001 10.130 -9.543 1.00 0.00 C ATOM 1993 O PHE A 127 10.841 10.536 -9.536 1.00 0.00 O ATOM 1994 CB PHE A 127 12.931 10.385 -11.873 1.00 0.00 C ATOM 1995 CG PHE A 127 12.777 8.889 -11.977 1.00 0.00 C ATOM 1996 CD1 PHE A 127 13.860 8.040 -11.697 1.00 0.00 C ATOM 1997 CD2 PHE A 127 11.477 8.365 -12.108 1.00 0.00 C ATOM 1998 CE1 PHE A 127 13.622 6.678 -11.477 1.00 0.00 C ATOM 1999 CE2 PHE A 127 11.246 7.002 -11.891 1.00 0.00 C ATOM 2000 CZ PHE A 127 12.314 6.161 -11.548 1.00 0.00 C ATOM 0 H PHE A 127 14.904 9.931 -10.164 1.00 0.00 H new ATOM 0 HA PHE A 127 12.793 11.929 -10.438 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.085 10.870 -12.360 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.828 10.694 -12.410 1.00 0.00 H new ATOM 0 HD1 PHE A 127 14.865 8.433 -11.652 1.00 0.00 H new ATOM 0 HD2 PHE A 127 10.657 9.015 -12.376 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.447 6.019 -11.251 1.00 0.00 H new ATOM 0 HE2 PHE A 127 10.249 6.599 -11.987 1.00 0.00 H new ATOM 0 HZ PHE A 127 12.134 5.117 -11.338 1.00 0.00 H new ATOM 2010 N ILE A 128 12.416 9.106 -8.777 1.00 0.00 N ATOM 2011 CA ILE A 128 11.549 8.378 -7.838 1.00 0.00 C ATOM 2012 C ILE A 128 10.877 9.393 -6.924 1.00 0.00 C ATOM 2013 O ILE A 128 9.679 9.289 -6.666 1.00 0.00 O ATOM 2014 CB ILE A 128 12.325 7.331 -7.009 1.00 0.00 C ATOM 2015 CG1 ILE A 128 12.687 6.122 -7.894 1.00 0.00 C ATOM 2016 CG2 ILE A 128 11.584 6.870 -5.731 1.00 0.00 C ATOM 2017 CD1 ILE A 128 13.447 5.024 -7.146 1.00 0.00 C ATOM 0 H ILE A 128 13.375 8.758 -8.794 1.00 0.00 H new ATOM 0 HA ILE A 128 10.804 7.824 -8.409 1.00 0.00 H new ATOM 0 HB ILE A 128 13.234 7.823 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 128 11.773 5.700 -8.311 1.00 0.00 H new ATOM 0 HG13 ILE A 128 13.292 6.464 -8.734 1.00 0.00 H new ATOM 0 HG21 ILE A 128 12.192 6.135 -5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 128 11.408 7.729 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.630 6.421 -6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 128 13.669 4.205 -7.830 1.00 0.00 H new ATOM 0 HD12 ILE A 128 14.379 5.430 -6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 128 12.835 4.654 -6.323 1.00 0.00 H new ATOM 2029 N LYS A 129 11.630 10.384 -6.434 1.00 0.00 N ATOM 2030 CA LYS A 129 11.057 11.417 -5.589 1.00 0.00 C ATOM 2031 C LYS A 129 9.877 12.094 -6.276 1.00 0.00 C ATOM 2032 O LYS A 129 8.815 12.201 -5.670 1.00 0.00 O ATOM 2033 CB LYS A 129 12.149 12.422 -5.188 1.00 0.00 C ATOM 2034 CG LYS A 129 12.985 11.895 -4.010 1.00 0.00 C ATOM 2035 CD LYS A 129 14.175 12.804 -3.680 1.00 0.00 C ATOM 2036 CE LYS A 129 14.883 12.355 -2.390 1.00 0.00 C ATOM 2037 NZ LYS A 129 15.672 11.118 -2.562 1.00 0.00 N ATOM 0 H LYS A 129 12.629 10.485 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 129 10.667 10.961 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.799 12.616 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.690 13.372 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.348 11.802 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.350 10.896 -4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.883 12.794 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.830 13.832 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.541 13.154 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.138 12.198 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.152 10.885 -1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.039 10.337 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.381 11.260 -3.309 1.00 0.00 H new ATOM 2051 N SER A 130 10.042 12.542 -7.518 1.00 0.00 N ATOM 2052 CA SER A 130 8.970 13.173 -8.270 1.00 0.00 C ATOM 2053 C SER A 130 7.832 12.179 -8.524 1.00 0.00 C ATOM 2054 O SER A 130 6.679 12.543 -8.338 1.00 0.00 O ATOM 2055 CB SER A 130 9.518 13.758 -9.570 1.00 0.00 C ATOM 2056 OG SER A 130 8.555 14.566 -10.222 1.00 0.00 O ATOM 0 H SER A 130 10.923 12.476 -8.028 1.00 0.00 H new ATOM 0 HA SER A 130 8.555 13.993 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.408 14.351 -9.357 1.00 0.00 H new ATOM 0 HB3 SER A 130 9.825 12.949 -10.233 1.00 0.00 H new ATOM 0 HG SER A 130 8.937 14.927 -11.049 1.00 0.00 H new ATOM 2062 N GLU A 131 8.121 10.933 -8.900 1.00 0.00 N ATOM 2063 CA GLU A 131 7.127 9.880 -9.119 1.00 0.00 C ATOM 2064 C GLU A 131 6.244 9.746 -7.871 1.00 0.00 C ATOM 2065 O GLU A 131 5.023 9.886 -7.947 1.00 0.00 O ATOM 2066 CB GLU A 131 7.870 8.593 -9.527 1.00 0.00 C ATOM 2067 CG GLU A 131 7.079 7.278 -9.497 1.00 0.00 C ATOM 2068 CD GLU A 131 5.719 7.324 -10.190 1.00 0.00 C ATOM 2069 OE1 GLU A 131 5.669 7.778 -11.355 1.00 0.00 O ATOM 2070 OE2 GLU A 131 4.728 6.809 -9.623 1.00 0.00 O ATOM 0 H GLU A 131 9.077 10.619 -9.065 1.00 0.00 H new ATOM 0 HA GLU A 131 6.443 10.118 -9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.253 8.732 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.734 8.481 -8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 131 7.681 6.499 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 131 6.930 6.985 -8.458 1.00 0.00 H new ATOM 2077 N LEU A 132 6.858 9.578 -6.699 1.00 0.00 N ATOM 2078 CA LEU A 132 6.162 9.466 -5.422 1.00 0.00 C ATOM 2079 C LEU A 132 5.427 10.762 -5.047 1.00 0.00 C ATOM 2080 O LEU A 132 4.405 10.697 -4.359 1.00 0.00 O ATOM 2081 CB LEU A 132 7.160 9.041 -4.330 1.00 0.00 C ATOM 2082 CG LEU A 132 7.716 7.609 -4.513 1.00 0.00 C ATOM 2083 CD1 LEU A 132 8.746 7.317 -3.418 1.00 0.00 C ATOM 2084 CD2 LEU A 132 6.621 6.533 -4.473 1.00 0.00 C ATOM 0 H LEU A 132 7.872 9.515 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 132 5.392 8.700 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 132 7.992 9.745 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.671 9.109 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 132 8.176 7.570 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 132 9.138 6.308 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 132 9.563 8.035 -3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 132 8.271 7.400 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 132 7.072 5.550 -4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.110 6.570 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.903 6.715 -5.273 1.00 0.00 H new ATOM 2096 N LYS A 133 5.906 11.935 -5.477 1.00 0.00 N ATOM 2097 CA LYS A 133 5.248 13.229 -5.260 1.00 0.00 C ATOM 2098 C LYS A 133 4.001 13.339 -6.146 1.00 0.00 C ATOM 2099 O LYS A 133 2.952 13.762 -5.648 1.00 0.00 O ATOM 2100 CB LYS A 133 6.240 14.373 -5.550 1.00 0.00 C ATOM 2101 CG LYS A 133 7.305 14.604 -4.460 1.00 0.00 C ATOM 2102 CD LYS A 133 6.943 15.607 -3.353 1.00 0.00 C ATOM 2103 CE LYS A 133 6.073 15.013 -2.237 1.00 0.00 C ATOM 2104 NZ LYS A 133 6.157 15.825 -1.002 1.00 0.00 N ATOM 0 H LYS A 133 6.780 12.013 -5.997 1.00 0.00 H new ATOM 0 HA LYS A 133 4.931 13.306 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 133 6.746 14.165 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.677 15.296 -5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.529 13.645 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 133 8.221 14.944 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.862 15.998 -2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 133 6.418 16.452 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 133 5.037 14.959 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 133 6.393 13.993 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 5.559 15.399 -0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 7.143 15.855 -0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 5.828 16.792 -1.199 1.00 0.00 H new ATOM 2118 N LYS A 134 4.076 12.951 -7.425 1.00 0.00 N ATOM 2119 CA LYS A 134 2.944 12.928 -8.358 1.00 0.00 C ATOM 2120 C LYS A 134 1.898 11.976 -7.789 1.00 0.00 C ATOM 2121 O LYS A 134 0.749 12.370 -7.571 1.00 0.00 O ATOM 2122 CB LYS A 134 3.375 12.450 -9.764 1.00 0.00 C ATOM 2123 CG LYS A 134 4.443 13.291 -10.485 1.00 0.00 C ATOM 2124 CD LYS A 134 3.904 14.409 -11.385 1.00 0.00 C ATOM 2125 CE LYS A 134 5.113 14.997 -12.128 1.00 0.00 C ATOM 2126 NZ LYS A 134 4.797 16.230 -12.872 1.00 0.00 N ATOM 0 H LYS A 134 4.948 12.636 -7.850 1.00 0.00 H new ATOM 0 HA LYS A 134 2.544 13.936 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.748 11.430 -9.676 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.488 12.412 -10.397 1.00 0.00 H new ATOM 0 HG2 LYS A 134 5.098 13.735 -9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 134 5.058 12.625 -11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.169 14.019 -12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 134 3.403 15.175 -10.793 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.905 15.207 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.502 14.252 -12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.653 16.576 -13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 4.062 16.030 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 4.453 16.956 -12.211 1.00 0.00 H new ATOM 2140 N ALA A 135 2.315 10.744 -7.483 1.00 0.00 N ATOM 2141 CA ALA A 135 1.486 9.698 -6.902 1.00 0.00 C ATOM 2142 C ALA A 135 0.958 10.054 -5.506 1.00 0.00 C ATOM 2143 O ALA A 135 0.104 9.338 -4.987 1.00 0.00 O ATOM 2144 CB ALA A 135 2.292 8.398 -6.847 1.00 0.00 C ATOM 0 H ALA A 135 3.276 10.442 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 135 0.609 9.580 -7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.679 7.608 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.591 8.112 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.180 8.546 -6.233 1.00 0.00 H new