USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 863 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 97 CYS SG : rot 67:sc= -0.702 USER MOD Set 1.2: A 102 CYS SG : rot 167:sc= -1.15! USER MOD Set 1.3: A 104 LYS NZ :NH3+ -156:sc= 0.845 (180deg=0) USER MOD Set 1.4: A 115 HIS : no HE2:sc= -1.42 K(o=-3.4,f=-6.2) USER MOD Set 1.5: A 116 HIS : no HD1:sc= -0.996 K(o=-3.4,f=-9!) USER MOD Set 1.6: A 119 HIS : no HE2:sc= 0 K(o=-3.4,f=-5.9) USER MOD Set 2.1: A 68 GLN : amide:sc= 1.15 K(o=3,f=-0.52!) USER MOD Set 2.2: A 73 GLN : amide:sc= 1.38 K(o=3,f=-2.2) USER MOD Set 2.3: A 75 LYS NZ :NH3+ -167:sc= 0.495 (180deg=0.404) USER MOD Set 3.1: A 69 CYS SG : rot 90:sc= 2.07 USER MOD Set 3.2: A 70 LYS NZ :NH3+ 177:sc= 0.378 (180deg=0) USER MOD Set 3.3: A 71 THR OG1 : rot 72:sc= 0.658 USER MOD Set 3.4: A 72 CYS SG : rot -39:sc= -0.969 USER MOD Set 3.5: A 85 HIS : no HD1:sc= -0.575 K(o=1.4,f=-0.8) USER MOD Set 3.6: A 89 HIS : no HD1:sc= -0.185 K(o=1.4,f=-0.58) USER MOD Set 4.1: A 39 CYS SG : rot -159:sc= 0.819 USER MOD Set 4.2: A 57 HIS : no HD1:sc= -2.02 X(o=-0.72,f=-0.31) USER MOD Set 4.3: A 58 GLN : amide:sc= 0.616 X(o=-0.72,f=-0.23) USER MOD Set 4.4: A 61 HIS : no HE2:sc= -0.137 X(o=-0.72,f=-0.23) USER MOD Set 5.1: A 37 TYR OH : rot 180:sc= 0.308 USER MOD Set 5.2: A 51 SER OG : rot 56:sc= 1.21 USER MOD Set 6.1: A 9 CYS SG : rot -120:sc= -1.49 USER MOD Set 6.2: A 14 CYS SG : rot -178:sc= 1.94 USER MOD Set 6.3: A 16 LYS NZ :NH3+ 134:sc= 1.31 (180deg=-0.516) USER MOD Set 6.4: A 18 TYR OH : rot 144:sc= 0.00765 USER MOD Set 6.5: A 27 HIS : no HE2:sc= -0.655 K(o=-2,f=-4) USER MOD Set 6.6: A 30 LYS NZ :NH3+ 168:sc=-0.00195 (180deg=0) USER MOD Set 6.7: A 31 HIS : no HE2:sc= -3.15 K(o=-2,f=-3.6!) USER MOD Single : A 8 MET CE :methyl -178:sc= 0 (180deg=-0.00475) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.303 K(o=0.3,f=-0.42) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00412) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00824 USER MOD Single : A 23 HIS : no HE2:sc= -2.57 K(o=-2.6,f=-7.5!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -32:sc= 1.59 USER MOD Single : A 38 GLN : amide:sc= 1.09 K(o=1.1,f=-0.0059) USER MOD Single : A 49 SER OG : rot -46:sc= 0.00735 USER MOD Single : A 53 GLN : amide:sc= -0.415 K(o=-0.41,f=-4.4!) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 0.6 (180deg=0.403) USER MOD Single : A 62 THR OG1 : rot -76:sc= -0.154 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -79:sc= 0.849 USER MOD Single : A 79 SER OG : rot 180:sc=0.000237 USER MOD Single : A 81 HIS : no HD1:sc= -0.527 X(o=-0.53,f=-0.87) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 86 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 88 THR OG1 : rot -96:sc= 1.18 USER MOD Single : A 90 THR OG1 : rot 179:sc= -0.305! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 160:sc= -0.17 USER MOD Single : A 101 SER OG : rot -2:sc= 1.05 USER MOD Single : A 103 GLN : amide:sc= 0.71 K(o=0.71,f=-0.16) USER MOD Single : A 105 LYS NZ :NH3+ 174:sc= 0.218 (180deg=0.169) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 117 ASN : amide:sc= 1.06 K(o=1.1,f=-0.033) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 9.255 20.885 -5.255 1.00 0.00 N ATOM 98 CA PHE A 7 8.752 19.907 -4.293 1.00 0.00 C ATOM 99 C PHE A 7 9.828 18.868 -4.007 1.00 0.00 C ATOM 100 O PHE A 7 10.752 18.717 -4.782 1.00 0.00 O ATOM 101 CB PHE A 7 7.491 19.223 -4.848 1.00 0.00 C ATOM 102 CG PHE A 7 6.336 20.181 -5.109 1.00 0.00 C ATOM 103 CD1 PHE A 7 5.413 20.489 -4.089 1.00 0.00 C ATOM 104 CD2 PHE A 7 6.204 20.796 -6.369 1.00 0.00 C ATOM 105 CE1 PHE A 7 4.385 21.425 -4.319 1.00 0.00 C ATOM 106 CE2 PHE A 7 5.189 21.743 -6.592 1.00 0.00 C ATOM 107 CZ PHE A 7 4.291 22.067 -5.562 1.00 0.00 C ATOM 0 HA PHE A 7 8.494 20.418 -3.365 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.745 18.713 -5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.164 18.458 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.494 20.005 -3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.885 20.539 -7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.671 21.647 -3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.100 22.222 -7.556 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.527 22.812 -5.728 1.00 0.00 H new ATOM 117 N MET A 8 9.757 18.213 -2.853 1.00 0.00 N ATOM 118 CA MET A 8 10.615 17.049 -2.591 1.00 0.00 C ATOM 119 C MET A 8 9.842 15.920 -1.936 1.00 0.00 C ATOM 120 O MET A 8 8.854 16.151 -1.236 1.00 0.00 O ATOM 121 CB MET A 8 11.815 17.438 -1.721 1.00 0.00 C ATOM 122 CG MET A 8 11.408 17.955 -0.332 1.00 0.00 C ATOM 123 SD MET A 8 12.762 18.698 0.614 1.00 0.00 S ATOM 124 CE MET A 8 13.665 17.189 1.055 1.00 0.00 C ATOM 0 H MET A 8 9.126 18.459 -2.090 1.00 0.00 H new ATOM 0 HA MET A 8 10.979 16.695 -3.555 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.467 16.573 -1.604 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.394 18.206 -2.233 1.00 0.00 H new ATOM 0 HG2 MET A 8 10.615 18.694 -0.450 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.990 17.128 0.242 1.00 0.00 H new ATOM 0 HE1 MET A 8 14.522 17.447 1.677 1.00 0.00 H new ATOM 0 HE2 MET A 8 13.006 16.518 1.606 1.00 0.00 H new ATOM 0 HE3 MET A 8 14.011 16.694 0.148 1.00 0.00 H new ATOM 134 N CYS A 9 10.358 14.703 -2.100 1.00 0.00 N ATOM 135 CA CYS A 9 9.864 13.540 -1.357 1.00 0.00 C ATOM 136 C CYS A 9 10.213 13.674 0.149 1.00 0.00 C ATOM 137 O CYS A 9 11.102 14.446 0.527 1.00 0.00 O ATOM 138 CB CYS A 9 10.483 12.253 -1.926 1.00 0.00 C ATOM 139 SG CYS A 9 9.827 10.820 -1.042 1.00 0.00 S ATOM 0 H CYS A 9 11.121 14.494 -2.743 1.00 0.00 H new ATOM 0 HA CYS A 9 8.780 13.492 -1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.260 12.170 -2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 9 11.568 12.286 -1.830 1.00 0.00 H new ATOM 0 HG CYS A 9 10.804 10.174 -0.477 1.00 0.00 H new ATOM 144 N ALA A 10 9.491 12.926 0.992 1.00 0.00 N ATOM 145 CA ALA A 10 9.650 13.011 2.445 1.00 0.00 C ATOM 146 C ALA A 10 10.400 11.782 3.009 1.00 0.00 C ATOM 147 O ALA A 10 10.962 11.850 4.103 1.00 0.00 O ATOM 148 CB ALA A 10 8.276 13.128 3.101 1.00 0.00 C ATOM 0 H ALA A 10 8.788 12.252 0.689 1.00 0.00 H new ATOM 0 HA ALA A 10 10.246 13.895 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.394 13.191 4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.774 14.025 2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.678 12.251 2.852 1.00 0.00 H new ATOM 154 N TYR A 11 10.360 10.647 2.285 1.00 0.00 N ATOM 155 CA TYR A 11 10.988 9.407 2.763 1.00 0.00 C ATOM 156 C TYR A 11 12.505 9.627 2.999 1.00 0.00 C ATOM 157 O TYR A 11 13.196 10.191 2.144 1.00 0.00 O ATOM 158 CB TYR A 11 10.771 8.280 1.744 1.00 0.00 C ATOM 159 CG TYR A 11 10.873 6.865 2.307 1.00 0.00 C ATOM 160 CD1 TYR A 11 9.904 6.386 3.215 1.00 0.00 C ATOM 161 CD2 TYR A 11 11.899 5.997 1.879 1.00 0.00 C ATOM 162 CE1 TYR A 11 9.982 5.069 3.713 1.00 0.00 C ATOM 163 CE2 TYR A 11 11.993 4.693 2.385 1.00 0.00 C ATOM 164 CZ TYR A 11 11.047 4.230 3.317 1.00 0.00 C ATOM 165 OH TYR A 11 11.182 2.981 3.832 1.00 0.00 O ATOM 0 H TYR A 11 9.904 10.566 1.376 1.00 0.00 H new ATOM 0 HA TYR A 11 10.525 9.123 3.708 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.786 8.404 1.293 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.504 8.389 0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.098 7.032 3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.621 6.341 1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.229 4.703 4.395 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.792 4.044 2.059 1.00 0.00 H new ATOM 0 HH TYR A 11 11.971 2.550 3.443 1.00 0.00 H new ATOM 175 N PRO A 12 13.021 9.229 4.196 1.00 0.00 N ATOM 176 CA PRO A 12 14.392 9.554 4.628 1.00 0.00 C ATOM 177 C PRO A 12 15.464 8.705 3.905 1.00 0.00 C ATOM 178 O PRO A 12 16.286 8.043 4.539 1.00 0.00 O ATOM 179 CB PRO A 12 14.371 9.260 6.141 1.00 0.00 C ATOM 180 CG PRO A 12 13.332 8.148 6.282 1.00 0.00 C ATOM 181 CD PRO A 12 12.280 8.547 5.249 1.00 0.00 C ATOM 0 HA PRO A 12 14.661 10.583 4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.349 8.941 6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.093 10.143 6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.757 7.167 6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.917 8.106 7.289 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.758 7.673 4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.526 9.201 5.687 1.00 0.00 H new ATOM 189 N GLY A 13 15.454 8.763 2.576 1.00 0.00 N ATOM 190 CA GLY A 13 16.442 8.058 1.759 1.00 0.00 C ATOM 191 C GLY A 13 16.301 8.422 0.276 1.00 0.00 C ATOM 192 O GLY A 13 17.284 8.436 -0.463 1.00 0.00 O ATOM 0 H GLY A 13 14.769 9.294 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.446 8.307 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.320 6.982 1.885 1.00 0.00 H new ATOM 196 N CYS A 14 15.068 8.771 -0.131 1.00 0.00 N ATOM 197 CA CYS A 14 14.803 9.301 -1.463 1.00 0.00 C ATOM 198 C CYS A 14 15.046 10.818 -1.494 1.00 0.00 C ATOM 199 O CYS A 14 16.003 11.285 -2.114 1.00 0.00 O ATOM 200 CB CYS A 14 13.348 8.999 -1.855 1.00 0.00 C ATOM 201 SG CYS A 14 12.807 9.980 -3.279 1.00 0.00 S ATOM 0 H CYS A 14 14.238 8.691 0.456 1.00 0.00 H new ATOM 0 HA CYS A 14 15.479 8.825 -2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 14 13.248 7.939 -2.087 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.695 9.202 -1.006 1.00 0.00 H new ATOM 0 HG CYS A 14 11.559 9.721 -3.535 1.00 0.00 H new ATOM 206 N ASN A 15 14.158 11.576 -0.809 1.00 0.00 N ATOM 207 CA ASN A 15 14.207 13.056 -0.782 1.00 0.00 C ATOM 208 C ASN A 15 14.538 13.646 -2.188 1.00 0.00 C ATOM 209 O ASN A 15 15.250 14.653 -2.304 1.00 0.00 O ATOM 210 CB ASN A 15 15.243 13.535 0.271 1.00 0.00 C ATOM 211 CG ASN A 15 16.702 13.118 0.115 1.00 0.00 C ATOM 212 OD1 ASN A 15 17.249 12.398 0.936 1.00 0.00 O ATOM 213 ND2 ASN A 15 17.384 13.606 -0.898 1.00 0.00 N ATOM 0 H ASN A 15 13.392 11.181 -0.263 1.00 0.00 H new ATOM 0 HA ASN A 15 13.219 13.421 -0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 15 15.212 14.624 0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.904 13.189 1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.374 13.384 -1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.923 14.207 -1.581 1.00 0.00 H new ATOM 220 N LYS A 16 13.952 13.047 -3.237 1.00 0.00 N ATOM 221 CA LYS A 16 14.093 13.565 -4.606 1.00 0.00 C ATOM 222 C LYS A 16 13.188 14.748 -4.819 1.00 0.00 C ATOM 223 O LYS A 16 12.189 14.898 -4.130 1.00 0.00 O ATOM 224 CB LYS A 16 13.750 12.464 -5.623 1.00 0.00 C ATOM 225 CG LYS A 16 14.829 11.372 -5.671 1.00 0.00 C ATOM 226 CD LYS A 16 14.326 10.147 -6.451 1.00 0.00 C ATOM 227 CE LYS A 16 15.216 8.918 -6.240 1.00 0.00 C ATOM 228 NZ LYS A 16 15.218 8.495 -4.824 1.00 0.00 N ATOM 0 H LYS A 16 13.378 12.207 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 16 15.126 13.882 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.791 12.016 -5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.637 12.906 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.730 11.764 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.101 11.078 -4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.308 9.913 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.287 10.387 -7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.863 8.099 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.234 9.145 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.091 7.464 -4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.124 8.756 -4.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.440 8.967 -4.320 1.00 0.00 H new ATOM 242 N ARG A 17 13.546 15.608 -5.778 1.00 0.00 N ATOM 243 CA ARG A 17 12.822 16.856 -5.995 1.00 0.00 C ATOM 244 C ARG A 17 11.892 16.757 -7.216 1.00 0.00 C ATOM 245 O ARG A 17 12.284 16.272 -8.275 1.00 0.00 O ATOM 246 CB ARG A 17 13.818 18.016 -6.190 1.00 0.00 C ATOM 247 CG ARG A 17 14.210 18.734 -4.885 1.00 0.00 C ATOM 248 CD ARG A 17 14.885 17.857 -3.820 1.00 0.00 C ATOM 249 NE ARG A 17 15.305 18.684 -2.676 1.00 0.00 N ATOM 250 CZ ARG A 17 15.995 18.296 -1.607 1.00 0.00 C ATOM 251 NH1 ARG A 17 16.319 17.044 -1.375 1.00 0.00 N ATOM 252 NH2 ARG A 17 16.385 19.188 -0.727 1.00 0.00 N ATOM 0 H ARG A 17 14.331 15.460 -6.412 1.00 0.00 H new ATOM 0 HA ARG A 17 12.208 17.047 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.720 17.630 -6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.383 18.743 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.882 19.556 -5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 17 13.313 19.175 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.195 17.082 -3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.749 17.350 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 17 15.036 19.667 -2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.040 16.315 -2.031 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.850 16.801 -0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.159 20.173 -0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.914 18.896 0.095 1.00 0.00 H new ATOM 266 N TYR A 18 10.645 17.192 -7.021 1.00 0.00 N ATOM 267 CA TYR A 18 9.595 17.056 -8.014 1.00 0.00 C ATOM 268 C TYR A 18 9.069 18.440 -8.453 1.00 0.00 C ATOM 269 O TYR A 18 9.369 19.463 -7.826 1.00 0.00 O ATOM 270 CB TYR A 18 8.448 16.240 -7.415 1.00 0.00 C ATOM 271 CG TYR A 18 8.752 14.774 -7.176 1.00 0.00 C ATOM 272 CD1 TYR A 18 9.491 14.364 -6.049 1.00 0.00 C ATOM 273 CD2 TYR A 18 8.321 13.813 -8.105 1.00 0.00 C ATOM 274 CE1 TYR A 18 9.862 13.014 -5.904 1.00 0.00 C ATOM 275 CE2 TYR A 18 8.767 12.485 -8.006 1.00 0.00 C ATOM 276 CZ TYR A 18 9.598 12.100 -6.936 1.00 0.00 C ATOM 277 OH TYR A 18 10.187 10.875 -6.919 1.00 0.00 O ATOM 0 H TYR A 18 10.341 17.650 -6.162 1.00 0.00 H new ATOM 0 HA TYR A 18 10.001 16.551 -8.890 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.158 16.693 -6.467 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.587 16.312 -8.080 1.00 0.00 H new ATOM 0 HD1 TYR A 18 9.773 15.085 -5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.645 14.096 -8.898 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.349 12.682 -4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 18 8.473 11.759 -8.750 1.00 0.00 H new ATOM 0 HH TYR A 18 9.560 10.206 -7.264 1.00 0.00 H new ATOM 287 N PHE A 19 8.256 18.451 -9.519 1.00 0.00 N ATOM 288 CA PHE A 19 7.736 19.697 -10.091 1.00 0.00 C ATOM 289 C PHE A 19 6.201 19.760 -9.985 1.00 0.00 C ATOM 290 O PHE A 19 5.649 20.740 -9.492 1.00 0.00 O ATOM 291 CB PHE A 19 8.158 19.800 -11.562 1.00 0.00 C ATOM 292 CG PHE A 19 7.612 21.015 -12.289 1.00 0.00 C ATOM 293 CD1 PHE A 19 8.048 22.305 -11.932 1.00 0.00 C ATOM 294 CD2 PHE A 19 6.665 20.861 -13.320 1.00 0.00 C ATOM 295 CE1 PHE A 19 7.535 23.434 -12.596 1.00 0.00 C ATOM 296 CE2 PHE A 19 6.151 21.990 -13.984 1.00 0.00 C ATOM 297 CZ PHE A 19 6.586 23.277 -13.621 1.00 0.00 C ATOM 0 H PHE A 19 7.945 17.608 -10.002 1.00 0.00 H new ATOM 0 HA PHE A 19 8.150 20.533 -9.527 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.247 19.820 -11.614 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.830 18.902 -12.085 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.778 22.428 -11.146 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.332 19.873 -13.602 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.871 24.422 -12.318 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.423 21.868 -14.772 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.191 24.144 -14.129 1.00 0.00 H new ATOM 307 N LYS A 20 5.520 18.706 -10.457 1.00 0.00 N ATOM 308 CA LYS A 20 4.055 18.626 -10.366 1.00 0.00 C ATOM 309 C LYS A 20 3.631 18.201 -8.960 1.00 0.00 C ATOM 310 O LYS A 20 3.884 17.079 -8.540 1.00 0.00 O ATOM 311 CB LYS A 20 3.513 17.625 -11.406 1.00 0.00 C ATOM 312 CG LYS A 20 3.271 18.326 -12.752 1.00 0.00 C ATOM 313 CD LYS A 20 2.757 17.335 -13.808 1.00 0.00 C ATOM 314 CE LYS A 20 2.424 18.030 -15.136 1.00 0.00 C ATOM 315 NZ LYS A 20 3.630 18.552 -15.811 1.00 0.00 N ATOM 0 H LYS A 20 5.958 17.900 -10.904 1.00 0.00 H new ATOM 0 HA LYS A 20 3.639 19.612 -10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.222 16.808 -11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.583 17.185 -11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.547 19.131 -12.621 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.197 18.784 -13.099 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.510 16.566 -13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.868 16.831 -13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.917 17.326 -15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.730 18.850 -14.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.361 18.983 -16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.082 19.269 -15.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.297 17.773 -15.982 1.00 0.00 H new ATOM 329 N LEU A 21 2.978 19.111 -8.244 1.00 0.00 N ATOM 330 CA LEU A 21 2.593 18.883 -6.844 1.00 0.00 C ATOM 331 C LEU A 21 1.894 17.502 -6.664 1.00 0.00 C ATOM 332 O LEU A 21 2.247 16.729 -5.776 1.00 0.00 O ATOM 333 CB LEU A 21 1.664 20.025 -6.373 1.00 0.00 C ATOM 334 CG LEU A 21 0.209 20.181 -6.849 1.00 0.00 C ATOM 335 CD1 LEU A 21 -0.377 21.375 -6.084 1.00 0.00 C ATOM 336 CD2 LEU A 21 0.077 20.459 -8.352 1.00 0.00 C ATOM 0 H LEU A 21 2.700 20.022 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 21 3.496 18.874 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.627 19.963 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.171 20.957 -6.622 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.313 19.243 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.413 21.528 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.338 21.176 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.203 22.270 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.977 20.557 -8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.599 21.384 -8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.515 19.634 -8.914 1.00 0.00 H new ATOM 348 N SER A 22 0.934 17.205 -7.542 1.00 0.00 N ATOM 349 CA SER A 22 0.200 15.927 -7.518 1.00 0.00 C ATOM 350 C SER A 22 1.092 14.734 -7.895 1.00 0.00 C ATOM 351 O SER A 22 0.914 13.640 -7.375 1.00 0.00 O ATOM 352 CB SER A 22 -0.983 15.998 -8.480 1.00 0.00 C ATOM 353 OG SER A 22 -0.567 16.473 -9.750 1.00 0.00 O ATOM 0 H SER A 22 0.641 17.836 -8.288 1.00 0.00 H new ATOM 0 HA SER A 22 -0.147 15.770 -6.497 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.433 15.011 -8.585 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.750 16.657 -8.073 1.00 0.00 H new ATOM 0 HG SER A 22 -1.338 16.510 -10.354 1.00 0.00 H new ATOM 359 N HIS A 23 2.028 14.947 -8.828 1.00 0.00 N ATOM 360 CA HIS A 23 2.926 13.860 -9.256 1.00 0.00 C ATOM 361 C HIS A 23 3.881 13.485 -8.110 1.00 0.00 C ATOM 362 O HIS A 23 4.163 12.309 -7.885 1.00 0.00 O ATOM 363 CB HIS A 23 3.710 14.269 -10.541 1.00 0.00 C ATOM 364 CG HIS A 23 5.173 14.681 -10.687 1.00 0.00 C ATOM 365 ND1 HIS A 23 5.880 14.483 -11.857 1.00 0.00 N ATOM 366 CD2 HIS A 23 5.930 15.540 -9.935 1.00 0.00 C ATOM 367 CE1 HIS A 23 7.008 15.211 -11.812 1.00 0.00 C ATOM 368 NE2 HIS A 23 7.070 15.898 -10.664 1.00 0.00 N ATOM 0 H HIS A 23 2.184 15.841 -9.294 1.00 0.00 H new ATOM 0 HA HIS A 23 2.329 12.982 -9.502 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.589 13.426 -11.221 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.143 15.101 -10.960 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.592 13.882 -12.629 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.687 15.885 -8.941 1.00 0.00 H new ATOM 0 HE1 HIS A 23 7.757 15.238 -12.590 1.00 0.00 H new ATOM 376 N LEU A 24 4.247 14.486 -7.306 1.00 0.00 N ATOM 377 CA LEU A 24 4.991 14.252 -6.073 1.00 0.00 C ATOM 378 C LEU A 24 4.095 13.592 -4.993 1.00 0.00 C ATOM 379 O LEU A 24 4.494 12.620 -4.355 1.00 0.00 O ATOM 380 CB LEU A 24 5.564 15.566 -5.544 1.00 0.00 C ATOM 381 CG LEU A 24 6.458 15.467 -4.275 1.00 0.00 C ATOM 382 CD1 LEU A 24 5.690 15.928 -3.033 1.00 0.00 C ATOM 383 CD2 LEU A 24 7.102 14.102 -3.960 1.00 0.00 C ATOM 0 H LEU A 24 4.038 15.467 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 24 5.810 13.569 -6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.149 16.029 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.734 16.238 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 24 7.290 16.125 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.334 15.850 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.377 16.964 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.811 15.298 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.696 14.181 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.321 13.355 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.745 13.803 -4.788 1.00 0.00 H new ATOM 395 N GLN A 25 2.865 14.091 -4.840 1.00 0.00 N ATOM 396 CA GLN A 25 1.905 13.495 -3.899 1.00 0.00 C ATOM 397 C GLN A 25 1.659 12.011 -4.245 1.00 0.00 C ATOM 398 O GLN A 25 1.601 11.161 -3.357 1.00 0.00 O ATOM 399 CB GLN A 25 0.576 14.277 -3.943 1.00 0.00 C ATOM 400 CG GLN A 25 -0.336 13.905 -2.762 1.00 0.00 C ATOM 401 CD GLN A 25 -1.487 14.894 -2.606 1.00 0.00 C ATOM 402 OE1 GLN A 25 -1.360 15.934 -1.980 1.00 0.00 O ATOM 403 NE2 GLN A 25 -2.647 14.616 -3.174 1.00 0.00 N ATOM 0 H GLN A 25 2.510 14.900 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 25 2.320 13.550 -2.893 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.782 15.347 -3.922 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.061 14.069 -4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.736 12.902 -2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.250 13.880 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.763 13.749 -3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.427 15.268 -3.087 1.00 0.00 H new ATOM 412 N MET A 26 1.599 11.704 -5.549 1.00 0.00 N ATOM 413 CA MET A 26 1.512 10.324 -6.021 1.00 0.00 C ATOM 414 C MET A 26 2.812 9.555 -5.703 1.00 0.00 C ATOM 415 O MET A 26 2.765 8.436 -5.204 1.00 0.00 O ATOM 416 CB MET A 26 1.246 10.302 -7.540 1.00 0.00 C ATOM 417 CG MET A 26 0.536 9.021 -7.999 1.00 0.00 C ATOM 418 SD MET A 26 1.523 7.501 -8.006 1.00 0.00 S ATOM 419 CE MET A 26 0.198 6.288 -8.249 1.00 0.00 C ATOM 0 H MET A 26 1.610 12.400 -6.295 1.00 0.00 H new ATOM 0 HA MET A 26 0.686 9.835 -5.505 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.639 11.166 -7.811 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.193 10.398 -8.072 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.329 8.862 -7.355 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.157 9.185 -9.008 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.624 5.285 -8.279 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.513 6.356 -7.426 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.315 6.493 -9.189 1.00 0.00 H new ATOM 429 N HIS A 27 3.973 10.209 -5.902 1.00 0.00 N ATOM 430 CA HIS A 27 5.276 9.563 -5.667 1.00 0.00 C ATOM 431 C HIS A 27 5.380 9.067 -4.214 1.00 0.00 C ATOM 432 O HIS A 27 5.820 7.942 -3.965 1.00 0.00 O ATOM 433 CB HIS A 27 6.432 10.559 -5.959 1.00 0.00 C ATOM 434 CG HIS A 27 7.722 9.960 -5.485 1.00 0.00 C ATOM 435 ND1 HIS A 27 8.310 8.811 -5.974 1.00 0.00 N ATOM 436 CD2 HIS A 27 8.399 10.340 -4.360 1.00 0.00 C ATOM 437 CE1 HIS A 27 9.339 8.515 -5.163 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.433 9.428 -4.196 1.00 0.00 N ATOM 0 H HIS A 27 4.034 11.176 -6.222 1.00 0.00 H new ATOM 0 HA HIS A 27 5.358 8.709 -6.340 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.485 10.772 -7.027 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.249 11.507 -5.454 1.00 0.00 H new ATOM 0 HD1 HIS A 27 8.018 8.285 -6.798 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.174 11.183 -3.724 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.993 7.663 -5.277 1.00 0.00 H new ATOM 446 N SER A 28 4.852 9.860 -3.276 1.00 0.00 N ATOM 447 CA SER A 28 4.898 9.516 -1.853 1.00 0.00 C ATOM 448 C SER A 28 4.197 8.174 -1.584 1.00 0.00 C ATOM 449 O SER A 28 4.650 7.394 -0.742 1.00 0.00 O ATOM 450 CB SER A 28 4.240 10.619 -1.028 1.00 0.00 C ATOM 451 OG SER A 28 4.043 10.201 0.312 1.00 0.00 O ATOM 0 H SER A 28 4.387 10.745 -3.478 1.00 0.00 H new ATOM 0 HA SER A 28 5.944 9.420 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.863 11.513 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.282 10.889 -1.473 1.00 0.00 H new ATOM 0 HG SER A 28 3.622 10.924 0.822 1.00 0.00 H new ATOM 457 N ARG A 29 3.119 7.884 -2.342 1.00 0.00 N ATOM 458 CA ARG A 29 2.368 6.624 -2.178 1.00 0.00 C ATOM 459 C ARG A 29 3.300 5.419 -2.324 1.00 0.00 C ATOM 460 O ARG A 29 3.182 4.448 -1.570 1.00 0.00 O ATOM 461 CB ARG A 29 1.248 6.539 -3.227 1.00 0.00 C ATOM 462 CG ARG A 29 0.412 5.243 -3.280 1.00 0.00 C ATOM 463 CD ARG A 29 -0.432 4.948 -2.040 1.00 0.00 C ATOM 464 NE ARG A 29 -1.302 6.083 -1.711 1.00 0.00 N ATOM 465 CZ ARG A 29 -1.160 6.906 -0.684 1.00 0.00 C ATOM 466 NH1 ARG A 29 -0.338 6.686 0.317 1.00 0.00 N ATOM 467 NH2 ARG A 29 -1.887 7.988 -0.627 1.00 0.00 N ATOM 0 H ARG A 29 2.752 8.500 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 29 1.931 6.612 -1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.565 7.372 -3.057 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.696 6.689 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.250 5.295 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.087 4.403 -3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.039 4.059 -2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.221 4.730 -1.195 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.092 6.254 -2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.235 5.842 0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.273 7.359 1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.556 8.192 -1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.786 8.629 0.160 1.00 0.00 H new ATOM 481 N LYS A 30 4.262 5.510 -3.260 1.00 0.00 N ATOM 482 CA LYS A 30 5.258 4.447 -3.459 1.00 0.00 C ATOM 483 C LYS A 30 6.022 4.160 -2.153 1.00 0.00 C ATOM 484 O LYS A 30 6.273 3.006 -1.818 1.00 0.00 O ATOM 485 CB LYS A 30 6.249 4.864 -4.565 1.00 0.00 C ATOM 486 CG LYS A 30 7.128 3.746 -5.157 1.00 0.00 C ATOM 487 CD LYS A 30 8.392 3.351 -4.375 1.00 0.00 C ATOM 488 CE LYS A 30 9.294 4.547 -4.046 1.00 0.00 C ATOM 489 NZ LYS A 30 10.620 4.096 -3.580 1.00 0.00 N ATOM 0 H LYS A 30 4.369 6.307 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 30 4.738 3.537 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.682 5.319 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.904 5.636 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.510 2.855 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.433 4.051 -6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.099 2.858 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.960 2.625 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.409 5.174 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.824 5.161 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.274 4.905 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.534 3.694 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.988 3.371 -4.228 1.00 0.00 H new ATOM 503 N HIS A 31 6.342 5.221 -1.398 1.00 0.00 N ATOM 504 CA HIS A 31 7.086 5.083 -0.144 1.00 0.00 C ATOM 505 C HIS A 31 6.170 4.641 1.008 1.00 0.00 C ATOM 506 O HIS A 31 6.622 3.985 1.934 1.00 0.00 O ATOM 507 CB HIS A 31 7.765 6.398 0.207 1.00 0.00 C ATOM 508 CG HIS A 31 9.021 6.584 -0.597 1.00 0.00 C ATOM 509 ND1 HIS A 31 10.102 5.732 -0.613 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.353 7.687 -1.329 1.00 0.00 C ATOM 511 CE1 HIS A 31 11.090 6.338 -1.284 1.00 0.00 C ATOM 512 NE2 HIS A 31 10.684 7.529 -1.726 1.00 0.00 N ATOM 0 H HIS A 31 6.096 6.182 -1.636 1.00 0.00 H new ATOM 0 HA HIS A 31 7.842 4.311 -0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.082 7.226 0.019 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.003 6.417 1.271 1.00 0.00 H new ATOM 0 HD1 HIS A 31 10.143 4.805 -0.190 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.709 8.523 -1.558 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.074 5.922 -1.444 1.00 0.00 H new ATOM 520 N THR A 32 4.894 5.064 0.984 1.00 0.00 N ATOM 521 CA THR A 32 3.935 4.631 2.038 1.00 0.00 C ATOM 522 C THR A 32 3.832 3.087 2.113 1.00 0.00 C ATOM 523 O THR A 32 3.461 2.538 3.147 1.00 0.00 O ATOM 524 CB THR A 32 2.530 5.203 1.786 1.00 0.00 C ATOM 525 OG1 THR A 32 1.882 4.704 0.634 1.00 0.00 O ATOM 526 CG2 THR A 32 2.528 6.729 1.732 1.00 0.00 C ATOM 0 H THR A 32 4.503 5.685 0.275 1.00 0.00 H new ATOM 0 HA THR A 32 4.321 5.014 2.983 1.00 0.00 H new ATOM 0 HB THR A 32 1.960 4.859 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.549 4.507 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.514 7.085 1.552 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.890 7.127 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.179 7.065 0.925 1.00 0.00 H new ATOM 592 N TYR A 37 7.607 -2.400 9.770 1.00 0.00 N ATOM 593 CA TYR A 37 7.203 -2.758 11.146 1.00 0.00 C ATOM 594 C TYR A 37 7.587 -4.222 11.459 1.00 0.00 C ATOM 595 O TYR A 37 7.986 -4.967 10.570 1.00 0.00 O ATOM 596 CB TYR A 37 5.684 -2.577 11.323 1.00 0.00 C ATOM 597 CG TYR A 37 5.113 -1.211 10.995 1.00 0.00 C ATOM 598 CD1 TYR A 37 5.064 -0.208 11.985 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.570 -0.966 9.722 1.00 0.00 C ATOM 600 CE1 TYR A 37 4.467 1.037 11.707 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.985 0.279 9.436 1.00 0.00 C ATOM 602 CZ TYR A 37 3.925 1.278 10.426 1.00 0.00 C ATOM 603 OH TYR A 37 3.289 2.444 10.135 1.00 0.00 O ATOM 0 HA TYR A 37 7.726 -2.097 11.837 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.179 -3.314 10.699 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.433 -2.810 12.358 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.486 -0.395 12.961 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.602 -1.735 8.964 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.424 1.802 12.468 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.580 0.470 8.453 1.00 0.00 H new ATOM 0 HH TYR A 37 2.985 2.427 9.204 1.00 0.00 H new ATOM 613 N GLN A 38 7.426 -4.624 12.727 1.00 0.00 N ATOM 614 CA GLN A 38 7.622 -6.027 13.144 1.00 0.00 C ATOM 615 C GLN A 38 6.447 -6.485 14.016 1.00 0.00 C ATOM 616 O GLN A 38 5.806 -5.670 14.680 1.00 0.00 O ATOM 617 CB GLN A 38 8.939 -6.156 13.933 1.00 0.00 C ATOM 618 CG GLN A 38 9.417 -7.602 14.163 1.00 0.00 C ATOM 619 CD GLN A 38 9.924 -7.840 15.582 1.00 0.00 C ATOM 620 OE1 GLN A 38 11.119 -7.919 15.820 1.00 0.00 O ATOM 621 NE2 GLN A 38 9.056 -7.989 16.564 1.00 0.00 N ATOM 0 H GLN A 38 7.160 -3.998 13.487 1.00 0.00 H new ATOM 0 HA GLN A 38 7.671 -6.658 12.257 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.719 -5.611 13.402 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.815 -5.671 14.901 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.596 -8.288 13.956 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.212 -7.834 13.455 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.056 -7.925 16.375 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.385 -8.169 17.513 1.00 0.00 H new ATOM 630 N CYS A 39 6.169 -7.795 13.995 1.00 0.00 N ATOM 631 CA CYS A 39 5.104 -8.381 14.815 1.00 0.00 C ATOM 632 C CYS A 39 5.203 -7.896 16.279 1.00 0.00 C ATOM 633 O CYS A 39 6.298 -7.807 16.845 1.00 0.00 O ATOM 634 CB CYS A 39 5.190 -9.903 14.770 1.00 0.00 C ATOM 635 SG CYS A 39 3.770 -10.524 15.710 1.00 0.00 S ATOM 0 H CYS A 39 6.669 -8.470 13.417 1.00 0.00 H new ATOM 0 HA CYS A 39 4.145 -8.059 14.409 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.162 -10.263 13.742 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.126 -10.252 15.205 1.00 0.00 H new ATOM 0 HG CYS A 39 4.002 -11.745 16.090 1.00 0.00 H new ATOM 731 N ARG A 46 8.330 -11.420 12.732 1.00 0.00 N ATOM 732 CA ARG A 46 7.929 -11.257 11.332 1.00 0.00 C ATOM 733 C ARG A 46 7.737 -9.786 11.008 1.00 0.00 C ATOM 734 O ARG A 46 7.007 -9.081 11.700 1.00 0.00 O ATOM 735 CB ARG A 46 6.623 -12.029 11.061 1.00 0.00 C ATOM 736 CG ARG A 46 6.933 -13.508 10.771 1.00 0.00 C ATOM 737 CD ARG A 46 5.682 -14.395 10.751 1.00 0.00 C ATOM 738 NE ARG A 46 5.250 -14.682 12.124 1.00 0.00 N ATOM 739 CZ ARG A 46 5.013 -15.846 12.708 1.00 0.00 C ATOM 740 NH1 ARG A 46 4.876 -16.967 12.033 1.00 0.00 N ATOM 741 NH2 ARG A 46 4.922 -15.897 14.011 1.00 0.00 N ATOM 0 HA ARG A 46 8.717 -11.658 10.695 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.960 -11.951 11.922 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.099 -11.586 10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.440 -13.584 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.624 -13.883 11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.881 -13.896 10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.894 -15.326 10.225 1.00 0.00 H new ATOM 0 HE ARG A 46 5.112 -13.863 12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.952 -16.962 11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.694 -17.841 12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.033 -15.047 14.564 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.740 -16.787 14.475 1.00 0.00 H new ATOM 755 N ARG A 47 8.440 -9.313 9.978 1.00 0.00 N ATOM 756 CA ARG A 47 8.387 -7.906 9.590 1.00 0.00 C ATOM 757 C ARG A 47 7.369 -7.688 8.465 1.00 0.00 C ATOM 758 O ARG A 47 7.139 -8.570 7.640 1.00 0.00 O ATOM 759 CB ARG A 47 9.781 -7.434 9.134 1.00 0.00 C ATOM 760 CG ARG A 47 10.636 -6.921 10.310 1.00 0.00 C ATOM 761 CD ARG A 47 12.069 -7.464 10.314 1.00 0.00 C ATOM 762 NE ARG A 47 12.116 -8.833 10.849 1.00 0.00 N ATOM 763 CZ ARG A 47 13.182 -9.605 11.023 1.00 0.00 C ATOM 764 NH1 ARG A 47 14.390 -9.263 10.632 1.00 0.00 N ATOM 765 NH2 ARG A 47 13.017 -10.754 11.626 1.00 0.00 N ATOM 0 H ARG A 47 9.053 -9.886 9.398 1.00 0.00 H new ATOM 0 HA ARG A 47 8.073 -7.323 10.456 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.299 -8.258 8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.670 -6.641 8.395 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.670 -5.832 10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.151 -7.195 11.247 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.468 -7.453 9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.706 -6.814 10.914 1.00 0.00 H new ATOM 0 HE ARG A 47 11.220 -9.239 11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.542 -8.366 10.170 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.175 -9.894 10.791 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.090 -11.033 11.947 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.815 -11.371 11.775 1.00 0.00 H new ATOM 779 N PHE A 48 6.797 -6.486 8.432 1.00 0.00 N ATOM 780 CA PHE A 48 5.815 -6.096 7.413 1.00 0.00 C ATOM 781 C PHE A 48 6.143 -4.705 6.879 1.00 0.00 C ATOM 782 O PHE A 48 6.941 -3.988 7.468 1.00 0.00 O ATOM 783 CB PHE A 48 4.408 -6.102 8.022 1.00 0.00 C ATOM 784 CG PHE A 48 4.035 -7.477 8.524 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.555 -8.430 7.611 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.336 -7.851 9.847 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.422 -9.766 8.006 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.223 -9.195 10.235 1.00 0.00 C ATOM 789 CZ PHE A 48 3.806 -10.156 9.301 1.00 0.00 C ATOM 0 H PHE A 48 6.999 -5.752 9.110 1.00 0.00 H new ATOM 0 HA PHE A 48 5.852 -6.809 6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.362 -5.387 8.844 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.684 -5.776 7.275 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.289 -8.133 6.607 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.653 -7.106 10.562 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.025 -10.497 7.317 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.456 -9.488 11.248 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.780 -11.199 9.578 1.00 0.00 H new ATOM 799 N SER A 49 5.545 -4.338 5.743 1.00 0.00 N ATOM 800 CA SER A 49 5.880 -3.075 5.069 1.00 0.00 C ATOM 801 C SER A 49 4.727 -2.047 5.174 1.00 0.00 C ATOM 802 O SER A 49 4.819 -0.948 4.623 1.00 0.00 O ATOM 803 CB SER A 49 6.203 -3.345 3.595 1.00 0.00 C ATOM 804 OG SER A 49 7.078 -2.353 3.111 1.00 0.00 O ATOM 0 H SER A 49 4.830 -4.892 5.271 1.00 0.00 H new ATOM 0 HA SER A 49 6.752 -2.650 5.567 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.658 -4.329 3.487 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.285 -3.352 3.007 1.00 0.00 H new ATOM 0 HG SER A 49 6.757 -1.470 3.389 1.00 0.00 H new ATOM 810 N ARG A 50 3.670 -2.395 5.936 1.00 0.00 N ATOM 811 CA ARG A 50 2.582 -1.448 6.250 1.00 0.00 C ATOM 812 C ARG A 50 1.936 -1.783 7.601 1.00 0.00 C ATOM 813 O ARG A 50 1.947 -2.939 8.041 1.00 0.00 O ATOM 814 CB ARG A 50 1.506 -1.485 5.150 1.00 0.00 C ATOM 815 CG ARG A 50 1.823 -0.648 3.902 1.00 0.00 C ATOM 816 CD ARG A 50 0.545 -0.336 3.108 1.00 0.00 C ATOM 817 NE ARG A 50 -0.085 -1.560 2.580 1.00 0.00 N ATOM 818 CZ ARG A 50 0.103 -2.076 1.372 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.910 -1.531 0.497 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.440 -3.222 1.077 1.00 0.00 N ATOM 0 H ARG A 50 3.547 -3.322 6.344 1.00 0.00 H new ATOM 0 HA ARG A 50 3.015 -0.449 6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.355 -2.521 4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.564 -1.136 5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.308 0.282 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.527 -1.187 3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.162 0.189 3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.785 0.334 2.283 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.725 -2.056 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.420 -0.680 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.029 -1.957 -0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.003 -3.713 1.771 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.302 -3.628 0.152 1.00 0.00 H new ATOM 834 N SER A 51 1.297 -0.773 8.210 1.00 0.00 N ATOM 835 CA SER A 51 0.569 -0.955 9.472 1.00 0.00 C ATOM 836 C SER A 51 -0.541 -1.998 9.312 1.00 0.00 C ATOM 837 O SER A 51 -0.744 -2.831 10.185 1.00 0.00 O ATOM 838 CB SER A 51 -0.046 0.379 9.922 1.00 0.00 C ATOM 839 OG SER A 51 0.844 1.165 10.685 1.00 0.00 O ATOM 0 H SER A 51 1.270 0.180 7.847 1.00 0.00 H new ATOM 0 HA SER A 51 1.275 -1.304 10.225 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.359 0.943 9.044 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.942 0.180 10.510 1.00 0.00 H new ATOM 0 HG SER A 51 1.669 1.312 10.177 1.00 0.00 H new ATOM 845 N ASP A 52 -1.251 -1.944 8.178 1.00 0.00 N ATOM 846 CA ASP A 52 -2.361 -2.868 7.909 1.00 0.00 C ATOM 847 C ASP A 52 -1.855 -4.313 7.718 1.00 0.00 C ATOM 848 O ASP A 52 -2.492 -5.256 8.171 1.00 0.00 O ATOM 849 CB ASP A 52 -3.125 -2.418 6.663 1.00 0.00 C ATOM 850 CG ASP A 52 -2.236 -2.070 5.469 1.00 0.00 C ATOM 851 OD1 ASP A 52 -1.866 -2.984 4.699 1.00 0.00 O ATOM 852 OD2 ASP A 52 -1.887 -0.877 5.353 1.00 0.00 O ATOM 0 H ASP A 52 -1.077 -1.271 7.432 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.028 -2.853 8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.814 -3.209 6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.729 -1.547 6.917 1.00 0.00 H new ATOM 857 N GLN A 53 -0.680 -4.469 7.085 1.00 0.00 N ATOM 858 CA GLN A 53 -0.063 -5.794 6.914 1.00 0.00 C ATOM 859 C GLN A 53 0.300 -6.398 8.279 1.00 0.00 C ATOM 860 O GLN A 53 0.009 -7.564 8.548 1.00 0.00 O ATOM 861 CB GLN A 53 1.201 -5.678 6.050 1.00 0.00 C ATOM 862 CG GLN A 53 0.953 -5.386 4.561 1.00 0.00 C ATOM 863 CD GLN A 53 2.238 -4.937 3.859 1.00 0.00 C ATOM 864 OE1 GLN A 53 3.352 -5.215 4.287 1.00 0.00 O ATOM 865 NE2 GLN A 53 2.138 -4.221 2.755 1.00 0.00 N ATOM 0 H GLN A 53 -0.142 -3.700 6.686 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.781 -6.447 6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.830 -4.887 6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.764 -6.607 6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.563 -6.279 4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.193 -4.611 4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.219 -3.980 2.385 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.980 -3.908 2.272 1.00 0.00 H new ATOM 874 N LEU A 54 0.888 -5.573 9.154 1.00 0.00 N ATOM 875 CA LEU A 54 1.209 -5.987 10.524 1.00 0.00 C ATOM 876 C LEU A 54 -0.083 -6.264 11.338 1.00 0.00 C ATOM 877 O LEU A 54 -0.191 -7.283 12.014 1.00 0.00 O ATOM 878 CB LEU A 54 2.039 -4.881 11.211 1.00 0.00 C ATOM 879 CG LEU A 54 2.211 -4.976 12.736 1.00 0.00 C ATOM 880 CD1 LEU A 54 2.823 -6.306 13.157 1.00 0.00 C ATOM 881 CD2 LEU A 54 3.155 -3.878 13.223 1.00 0.00 C ATOM 0 H LEU A 54 1.152 -4.612 8.936 1.00 0.00 H new ATOM 0 HA LEU A 54 1.787 -6.910 10.484 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.031 -4.873 10.759 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.577 -3.921 10.982 1.00 0.00 H new ATOM 0 HG LEU A 54 1.217 -4.875 13.171 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.927 -6.331 14.242 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.176 -7.122 12.835 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.804 -6.417 12.696 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.272 -3.952 14.304 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.127 -3.995 12.744 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.740 -2.903 12.969 1.00 0.00 H new ATOM 893 N LYS A 55 -1.064 -5.353 11.240 1.00 0.00 N ATOM 894 CA LYS A 55 -2.353 -5.507 11.946 1.00 0.00 C ATOM 895 C LYS A 55 -3.078 -6.776 11.485 1.00 0.00 C ATOM 896 O LYS A 55 -3.647 -7.500 12.299 1.00 0.00 O ATOM 897 CB LYS A 55 -3.241 -4.273 11.685 1.00 0.00 C ATOM 898 CG LYS A 55 -4.625 -4.258 12.366 1.00 0.00 C ATOM 899 CD LYS A 55 -4.636 -3.841 13.849 1.00 0.00 C ATOM 900 CE LYS A 55 -4.014 -4.831 14.842 1.00 0.00 C ATOM 901 NZ LYS A 55 -4.661 -6.159 14.790 1.00 0.00 N ATOM 0 H LYS A 55 -0.993 -4.503 10.681 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.154 -5.593 13.014 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.694 -3.386 12.006 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.390 -4.183 10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.274 -3.580 11.812 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.060 -5.254 12.285 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.110 -2.890 13.940 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.670 -3.664 14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.951 -4.939 14.627 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.096 -4.429 15.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.394 -6.709 15.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.694 -6.041 14.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.351 -6.663 13.935 1.00 0.00 H new ATOM 915 N ARG A 56 -3.007 -7.062 10.179 1.00 0.00 N ATOM 916 CA ARG A 56 -3.506 -8.324 9.628 1.00 0.00 C ATOM 917 C ARG A 56 -2.756 -9.509 10.248 1.00 0.00 C ATOM 918 O ARG A 56 -3.373 -10.452 10.735 1.00 0.00 O ATOM 919 CB ARG A 56 -3.326 -8.327 8.097 1.00 0.00 C ATOM 920 CG ARG A 56 -3.692 -9.627 7.363 1.00 0.00 C ATOM 921 CD ARG A 56 -3.277 -9.544 5.884 1.00 0.00 C ATOM 922 NE ARG A 56 -1.810 -9.550 5.717 1.00 0.00 N ATOM 923 CZ ARG A 56 -1.150 -9.614 4.566 1.00 0.00 C ATOM 924 NH1 ARG A 56 -1.752 -9.623 3.399 1.00 0.00 N ATOM 925 NH2 ARG A 56 0.161 -9.669 4.554 1.00 0.00 N ATOM 0 H ARG A 56 -2.607 -6.432 9.483 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.565 -8.421 9.866 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.929 -7.520 7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.285 -8.093 7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.196 -10.473 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.765 -9.804 7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.707 -10.385 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.688 -8.636 5.443 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.249 -9.500 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.770 -9.580 3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.202 -9.673 2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.680 -9.663 5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.661 -9.718 3.666 1.00 0.00 H new ATOM 939 N HIS A 57 -1.420 -9.412 10.292 1.00 0.00 N ATOM 940 CA HIS A 57 -0.579 -10.490 10.824 1.00 0.00 C ATOM 941 C HIS A 57 -0.908 -10.774 12.302 1.00 0.00 C ATOM 942 O HIS A 57 -0.979 -11.927 12.711 1.00 0.00 O ATOM 943 CB HIS A 57 0.899 -10.112 10.692 1.00 0.00 C ATOM 944 CG HIS A 57 1.762 -11.157 11.363 1.00 0.00 C ATOM 945 ND1 HIS A 57 1.772 -12.500 11.060 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.524 -10.986 12.487 1.00 0.00 C ATOM 947 CE1 HIS A 57 2.521 -13.122 11.985 1.00 0.00 C ATOM 948 NE2 HIS A 57 2.996 -12.242 12.868 1.00 0.00 N ATOM 0 H HIS A 57 -0.900 -8.598 9.965 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.781 -11.392 10.246 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.169 -10.027 9.639 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.075 -9.137 11.146 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.723 -10.050 12.987 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.712 -14.185 12.010 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.592 -12.449 13.670 1.00 0.00 H new ATOM 956 N GLN A 58 -1.191 -9.716 13.070 1.00 0.00 N ATOM 957 CA GLN A 58 -1.582 -9.858 14.479 1.00 0.00 C ATOM 958 C GLN A 58 -2.769 -10.839 14.627 1.00 0.00 C ATOM 959 O GLN A 58 -2.838 -11.597 15.598 1.00 0.00 O ATOM 960 CB GLN A 58 -1.939 -8.487 15.089 1.00 0.00 C ATOM 961 CG GLN A 58 -0.707 -7.604 15.400 1.00 0.00 C ATOM 962 CD GLN A 58 0.432 -8.401 16.042 1.00 0.00 C ATOM 963 OE1 GLN A 58 0.347 -8.826 17.183 1.00 0.00 O ATOM 964 NE2 GLN A 58 1.489 -8.663 15.293 1.00 0.00 N ATOM 0 H GLN A 58 -1.157 -8.751 12.740 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.730 -10.266 15.023 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.593 -7.952 14.401 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.503 -8.644 16.008 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.351 -7.144 14.478 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.002 -6.794 16.067 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.543 -8.299 14.342 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.251 -9.229 15.666 1.00 0.00 H new ATOM 973 N ARG A 59 -3.718 -10.797 13.674 1.00 0.00 N ATOM 974 CA ARG A 59 -4.897 -11.689 13.710 1.00 0.00 C ATOM 975 C ARG A 59 -4.470 -13.176 13.792 1.00 0.00 C ATOM 976 O ARG A 59 -5.133 -13.974 14.444 1.00 0.00 O ATOM 977 CB ARG A 59 -5.771 -11.468 12.464 1.00 0.00 C ATOM 978 CG ARG A 59 -6.194 -9.996 12.341 1.00 0.00 C ATOM 979 CD ARG A 59 -7.067 -9.730 11.120 1.00 0.00 C ATOM 980 NE ARG A 59 -7.227 -8.281 10.934 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.447 -7.652 9.788 1.00 0.00 C ATOM 982 NH1 ARG A 59 -7.722 -8.285 8.670 1.00 0.00 N ATOM 983 NH2 ARG A 59 -7.383 -6.342 9.744 1.00 0.00 N ATOM 0 H ARG A 59 -3.695 -10.162 12.876 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.473 -11.446 14.603 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.221 -11.768 11.572 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.657 -12.101 12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.736 -9.703 13.240 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.303 -9.370 12.288 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.614 -10.173 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.042 -10.200 11.248 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.162 -7.701 11.771 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.774 -9.304 8.660 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.884 -7.758 7.812 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.165 -5.813 10.589 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.551 -5.852 8.865 1.00 0.00 H new ATOM 997 N ARG A 60 -3.329 -13.519 13.162 1.00 0.00 N ATOM 998 CA ARG A 60 -2.772 -14.896 13.229 1.00 0.00 C ATOM 999 C ARG A 60 -2.444 -15.295 14.685 1.00 0.00 C ATOM 1000 O ARG A 60 -2.608 -16.449 15.066 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.492 -14.989 12.369 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.829 -16.376 12.351 1.00 0.00 C ATOM 1003 CD ARG A 60 0.479 -16.330 11.546 1.00 0.00 C ATOM 1004 NE ARG A 60 1.106 -17.659 11.436 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.094 -18.018 10.622 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.622 -17.206 9.728 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.573 -19.240 10.686 1.00 0.00 N ATOM 0 H ARG A 60 -2.774 -12.871 12.603 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.525 -15.583 12.844 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.737 -14.705 11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.769 -14.261 12.737 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.625 -16.703 13.371 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.509 -17.106 11.912 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.277 -15.941 10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.174 -15.639 12.023 1.00 0.00 H new ATOM 0 HE ARG A 60 0.741 -18.385 12.053 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.273 -16.252 9.637 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.379 -17.532 9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.187 -19.905 11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.331 -19.524 10.065 1.00 0.00 H new ATOM 1021 N HIS A 61 -1.956 -14.329 15.478 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.531 -14.597 16.865 1.00 0.00 C ATOM 1023 C HIS A 61 -2.701 -14.430 17.849 1.00 0.00 C ATOM 1024 O HIS A 61 -2.734 -15.073 18.896 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.393 -13.642 17.254 1.00 0.00 C ATOM 1026 CG HIS A 61 0.942 -14.044 16.685 1.00 0.00 C ATOM 1027 ND1 HIS A 61 1.589 -15.232 16.944 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.781 -13.268 15.928 1.00 0.00 C ATOM 1029 CE1 HIS A 61 2.797 -15.170 16.362 1.00 0.00 C ATOM 1030 NE2 HIS A 61 2.961 -13.994 15.741 1.00 0.00 N ATOM 0 H HIS A 61 -1.845 -13.358 15.186 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.183 -15.629 16.918 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.638 -12.637 16.911 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.319 -13.599 18.341 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.218 -16.016 17.480 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.570 -12.280 15.547 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.534 -15.959 16.390 1.00 0.00 H new ATOM 1038 N THR A 62 -3.638 -13.537 17.515 1.00 0.00 N ATOM 1039 CA THR A 62 -4.779 -13.224 18.402 1.00 0.00 C ATOM 1040 C THR A 62 -5.985 -14.144 18.108 1.00 0.00 C ATOM 1041 O THR A 62 -6.864 -14.308 18.952 1.00 0.00 O ATOM 1042 CB THR A 62 -5.219 -11.763 18.227 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.421 -11.468 16.876 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.147 -10.774 18.677 1.00 0.00 C ATOM 0 H THR A 62 -3.635 -13.015 16.639 1.00 0.00 H new ATOM 0 HA THR A 62 -4.444 -13.387 19.426 1.00 0.00 H new ATOM 0 HB THR A 62 -6.125 -11.664 18.825 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.554 -11.358 16.432 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.508 -9.756 18.533 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.924 -10.934 19.732 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.242 -10.925 18.088 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.998 -14.760 16.914 1.00 0.00 N ATOM 1053 CA GLY A 63 -7.029 -15.750 16.564 1.00 0.00 C ATOM 1054 C GLY A 63 -8.362 -15.105 16.129 1.00 0.00 C ATOM 1055 O GLY A 63 -9.338 -15.809 15.874 1.00 0.00 O ATOM 0 H GLY A 63 -5.311 -14.591 16.180 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.658 -16.383 15.758 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.208 -16.398 17.422 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.401 -13.766 16.068 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.642 -13.040 15.740 1.00 0.00 C ATOM 1061 C VAL A 64 -10.006 -13.213 14.257 1.00 0.00 C ATOM 1062 O VAL A 64 -9.129 -13.253 13.384 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.490 -11.536 16.068 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -9.202 -11.326 17.560 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -8.445 -10.789 15.234 1.00 0.00 C ATOM 0 H VAL A 64 -7.595 -13.165 16.240 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.445 -13.460 16.346 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.453 -11.102 15.798 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.099 -10.260 17.764 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.024 -11.731 18.150 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.277 -11.837 17.828 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.415 -9.743 15.540 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.465 -11.241 15.389 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.710 -10.851 14.179 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.316 -13.267 13.978 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.828 -13.377 12.605 1.00 0.00 C ATOM 1077 C LYS A 65 -12.958 -12.349 12.371 1.00 0.00 C ATOM 1078 O LYS A 65 -14.133 -12.657 12.566 1.00 0.00 O ATOM 1079 CB LYS A 65 -12.351 -14.801 12.352 1.00 0.00 C ATOM 1080 CG LYS A 65 -11.242 -15.855 12.240 1.00 0.00 C ATOM 1081 CD LYS A 65 -11.789 -17.275 12.071 1.00 0.00 C ATOM 1082 CE LYS A 65 -10.645 -18.232 11.726 1.00 0.00 C ATOM 1083 NZ LYS A 65 -11.158 -19.552 11.308 1.00 0.00 N ATOM 0 H LYS A 65 -12.045 -13.236 14.691 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.015 -13.168 11.910 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.025 -15.080 13.162 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.938 -14.805 11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.602 -15.614 11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.617 -15.815 13.132 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.281 -17.597 12.989 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.542 -17.294 11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.039 -17.805 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.993 -18.350 12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.360 -20.179 11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.716 -19.968 12.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.760 -19.440 10.468 1.00 0.00 H new ATOM 1097 N PRO A 66 -12.594 -11.086 12.031 1.00 0.00 N ATOM 1098 CA PRO A 66 -13.553 -9.977 11.948 1.00 0.00 C ATOM 1099 C PRO A 66 -14.598 -10.151 10.825 1.00 0.00 C ATOM 1100 O PRO A 66 -15.637 -9.495 10.841 1.00 0.00 O ATOM 1101 CB PRO A 66 -12.669 -8.751 11.668 1.00 0.00 C ATOM 1102 CG PRO A 66 -11.281 -9.135 12.176 1.00 0.00 C ATOM 1103 CD PRO A 66 -11.224 -10.622 11.852 1.00 0.00 C ATOM 0 HA PRO A 66 -14.143 -9.902 12.861 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.648 -8.515 10.604 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.046 -7.867 12.183 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.493 -8.577 11.670 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.171 -8.946 13.244 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.877 -10.793 10.833 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.537 -11.147 12.516 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.296 -11.004 9.832 1.00 0.00 N ATOM 1112 CA PHE A 67 -15.175 -11.172 8.661 1.00 0.00 C ATOM 1113 C PHE A 67 -16.002 -12.465 8.786 1.00 0.00 C ATOM 1114 O PHE A 67 -15.471 -13.505 9.107 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.323 -11.209 7.374 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.359 -10.036 7.248 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -12.077 -10.105 7.825 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -13.765 -8.848 6.608 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -11.220 -8.992 7.793 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -12.911 -7.730 6.583 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.638 -7.802 7.175 1.00 0.00 C ATOM 0 H PHE A 67 -13.457 -11.584 9.815 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.863 -10.328 8.614 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.755 -12.139 7.350 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.986 -11.218 6.509 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -11.750 -11.020 8.296 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -14.735 -8.795 6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -10.240 -9.052 8.243 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -13.234 -6.815 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.983 -6.944 7.155 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.318 -12.368 8.568 1.00 0.00 N ATOM 1132 CA GLN A 68 -18.209 -13.552 8.594 1.00 0.00 C ATOM 1133 C GLN A 68 -18.987 -13.674 7.284 1.00 0.00 C ATOM 1134 O GLN A 68 -19.470 -12.676 6.747 1.00 0.00 O ATOM 1135 CB GLN A 68 -19.194 -13.448 9.771 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.800 -14.832 10.063 1.00 0.00 C ATOM 1137 CD GLN A 68 -21.209 -14.799 10.632 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -21.416 -14.899 11.832 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -22.203 -14.702 9.767 1.00 0.00 N ATOM 0 H GLN A 68 -17.796 -11.489 8.372 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.590 -14.441 8.718 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.680 -13.071 10.655 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.985 -12.736 9.534 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.808 -15.412 9.140 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.151 -15.357 10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.005 -14.619 8.770 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.168 -14.710 10.096 1.00 0.00 H new ATOM 1148 N CYS A 69 -19.164 -14.914 6.813 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.970 -15.182 5.623 1.00 0.00 C ATOM 1150 C CYS A 69 -21.443 -14.800 5.872 1.00 0.00 C ATOM 1151 O CYS A 69 -21.950 -14.904 6.997 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.881 -16.671 5.243 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.908 -16.983 3.773 1.00 0.00 S ATOM 0 H CYS A 69 -18.758 -15.746 7.240 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.580 -14.579 4.803 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.845 -16.945 5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.218 -17.290 6.074 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.193 -16.814 2.700 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.117 -14.369 4.801 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.548 -14.021 4.864 1.00 0.00 C ATOM 1160 C LYS A 70 -24.429 -15.260 4.582 1.00 0.00 C ATOM 1161 O LYS A 70 -25.651 -15.154 4.507 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.863 -12.901 3.837 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.266 -13.023 2.416 1.00 0.00 C ATOM 1164 CD LYS A 70 -23.954 -14.046 1.502 1.00 0.00 C ATOM 1165 CE LYS A 70 -23.064 -14.359 0.295 1.00 0.00 C ATOM 1166 NZ LYS A 70 -23.556 -15.540 -0.442 1.00 0.00 N ATOM 0 H LYS A 70 -21.698 -14.251 3.878 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.772 -13.663 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.947 -12.835 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -23.523 -11.956 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.309 -12.045 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -22.213 -13.289 2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -24.160 -14.961 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -24.914 -13.655 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -23.036 -13.497 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.042 -14.536 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.963 -15.697 -1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.512 -16.377 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -24.540 -15.379 -0.738 1.00 0.00 H new ATOM 1180 N THR A 71 -23.783 -16.420 4.399 1.00 0.00 N ATOM 1181 CA THR A 71 -24.473 -17.654 3.994 1.00 0.00 C ATOM 1182 C THR A 71 -24.275 -18.753 5.049 1.00 0.00 C ATOM 1183 O THR A 71 -25.175 -19.021 5.848 1.00 0.00 O ATOM 1184 CB THR A 71 -23.943 -18.163 2.616 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.076 -17.239 1.993 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.065 -18.406 1.617 1.00 0.00 C ATOM 0 H THR A 71 -22.777 -16.530 4.526 1.00 0.00 H new ATOM 0 HA THR A 71 -25.535 -17.425 3.904 1.00 0.00 H new ATOM 0 HB THR A 71 -23.421 -19.089 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.223 -17.215 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.644 -18.759 0.676 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.748 -19.157 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.608 -17.476 1.446 1.00 0.00 H new ATOM 1194 N CYS A 72 -23.073 -19.351 5.079 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.768 -20.450 6.001 1.00 0.00 C ATOM 1196 C CYS A 72 -22.205 -19.923 7.339 1.00 0.00 C ATOM 1197 O CYS A 72 -21.876 -20.707 8.232 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.753 -21.386 5.355 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.253 -20.459 5.003 1.00 0.00 S ATOM 0 H CYS A 72 -22.296 -19.089 4.472 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.694 -20.986 6.210 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.533 -22.221 6.020 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.160 -21.808 4.436 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.567 -19.270 4.582 1.00 0.00 H new ATOM 1204 N GLN A 73 -22.141 -18.585 7.479 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.673 -17.936 8.718 1.00 0.00 C ATOM 1206 C GLN A 73 -20.187 -18.284 9.021 1.00 0.00 C ATOM 1207 O GLN A 73 -19.725 -18.117 10.151 1.00 0.00 O ATOM 1208 CB GLN A 73 -22.572 -18.348 9.914 1.00 0.00 C ATOM 1209 CG GLN A 73 -24.093 -18.362 9.644 1.00 0.00 C ATOM 1210 CD GLN A 73 -24.642 -17.053 9.077 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -24.644 -16.019 9.732 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -25.152 -17.047 7.857 1.00 0.00 N ATOM 0 H GLN A 73 -22.409 -17.930 6.745 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.741 -16.858 8.573 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.272 -19.343 10.243 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.376 -17.667 10.742 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.319 -19.169 8.948 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.614 -18.588 10.575 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.156 -17.903 7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -25.541 -16.187 7.471 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.443 -18.728 7.989 1.00 0.00 N ATOM 1222 CA ARG A 74 -18.013 -19.052 8.128 1.00 0.00 C ATOM 1223 C ARG A 74 -17.205 -17.800 8.412 1.00 0.00 C ATOM 1224 O ARG A 74 -17.276 -16.825 7.664 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.492 -19.703 6.831 1.00 0.00 C ATOM 1226 CG ARG A 74 -17.409 -21.239 6.819 1.00 0.00 C ATOM 1227 CD ARG A 74 -16.378 -21.833 7.798 1.00 0.00 C ATOM 1228 NE ARG A 74 -15.144 -21.026 7.871 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.870 -21.374 7.767 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.456 -22.608 7.592 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.988 -20.417 7.905 1.00 0.00 N ATOM 0 H ARG A 74 -19.812 -18.870 7.049 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.901 -19.746 8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.136 -19.390 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.498 -19.306 6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.392 -21.645 7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.164 -21.569 5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.822 -21.904 8.791 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.128 -22.847 7.487 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.299 -20.030 8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.133 -23.369 7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.458 -22.806 7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.296 -19.461 8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.992 -20.627 7.835 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.436 -17.820 9.504 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.617 -16.672 9.876 1.00 0.00 C ATOM 1247 C LYS A 75 -14.231 -16.735 9.196 1.00 0.00 C ATOM 1248 O LYS A 75 -13.672 -17.818 8.989 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.438 -16.629 11.410 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.623 -16.103 12.234 1.00 0.00 C ATOM 1251 CD LYS A 75 -17.645 -17.189 12.582 1.00 0.00 C ATOM 1252 CE LYS A 75 -18.897 -16.582 13.228 1.00 0.00 C ATOM 1253 NZ LYS A 75 -20.053 -17.487 13.089 1.00 0.00 N ATOM 0 H LYS A 75 -16.366 -18.615 10.140 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.126 -15.769 9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.208 -17.638 11.753 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.569 -16.010 11.633 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.247 -15.658 13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.121 -15.310 11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.925 -17.732 11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.195 -17.912 13.262 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.708 -16.387 14.284 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.123 -15.623 12.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.926 -16.975 13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.111 -17.828 12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.939 -18.297 13.731 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.674 -15.554 8.915 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.329 -15.410 8.350 1.00 0.00 C ATOM 1269 C PHE A 76 -11.635 -14.156 8.935 1.00 0.00 C ATOM 1270 O PHE A 76 -12.303 -13.210 9.372 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.417 -15.276 6.816 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.118 -16.411 6.098 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.409 -17.584 5.779 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.487 -16.308 5.778 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -13.073 -18.655 5.159 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.151 -17.386 5.167 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.445 -18.564 4.867 1.00 0.00 C ATOM 0 H PHE A 76 -14.147 -14.664 9.074 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.746 -16.295 8.606 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.934 -14.346 6.580 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.406 -15.188 6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.357 -17.660 6.010 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.026 -15.400 6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.527 -19.552 4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.202 -17.309 4.929 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.957 -19.399 4.412 1.00 0.00 H new ATOM 1287 N SER A 77 -10.294 -14.155 8.924 1.00 0.00 N ATOM 1288 CA SER A 77 -9.509 -13.029 9.480 1.00 0.00 C ATOM 1289 C SER A 77 -9.099 -12.030 8.383 1.00 0.00 C ATOM 1290 O SER A 77 -8.450 -11.023 8.670 1.00 0.00 O ATOM 1291 CB SER A 77 -8.243 -13.560 10.175 1.00 0.00 C ATOM 1292 OG SER A 77 -8.513 -14.453 11.230 1.00 0.00 O ATOM 0 H SER A 77 -9.728 -14.912 8.541 1.00 0.00 H new ATOM 0 HA SER A 77 -10.142 -12.512 10.201 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.616 -14.061 9.437 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.670 -12.717 10.561 1.00 0.00 H new ATOM 0 HG SER A 77 -8.775 -13.947 12.028 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.465 -12.325 7.126 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.065 -11.494 5.982 1.00 0.00 C ATOM 1300 C ARG A 78 -10.248 -11.256 5.044 1.00 0.00 C ATOM 1301 O ARG A 78 -10.974 -12.190 4.691 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.920 -12.182 5.215 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.553 -11.839 5.835 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.419 -12.771 5.395 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.166 -12.732 3.943 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.007 -12.959 3.333 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.888 -13.091 4.002 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -3.984 -13.034 2.024 1.00 0.00 N ATOM 0 H ARG A 78 -10.037 -13.132 6.877 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.724 -10.529 6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.068 -13.262 5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.938 -11.869 4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.292 -10.815 5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.639 -11.875 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.506 -12.497 5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.662 -13.792 5.688 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.962 -12.508 3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.891 -13.020 5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.014 -13.265 3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.846 -12.919 1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.104 -13.208 1.539 1.00 0.00 H new ATOM 1322 N SER A 79 -10.397 -10.004 4.597 1.00 0.00 N ATOM 1323 CA SER A 79 -11.446 -9.632 3.643 1.00 0.00 C ATOM 1324 C SER A 79 -11.263 -10.378 2.317 1.00 0.00 C ATOM 1325 O SER A 79 -12.228 -10.847 1.728 1.00 0.00 O ATOM 1326 CB SER A 79 -11.409 -8.118 3.392 1.00 0.00 C ATOM 1327 OG SER A 79 -10.087 -7.702 3.085 1.00 0.00 O ATOM 0 H SER A 79 -9.800 -9.228 4.883 1.00 0.00 H new ATOM 0 HA SER A 79 -12.411 -9.908 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.078 -7.862 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.769 -7.587 4.273 1.00 0.00 H new ATOM 0 HG SER A 79 -10.077 -6.735 2.925 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.012 -10.469 1.852 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.700 -11.130 0.578 1.00 0.00 C ATOM 1335 C ASP A 80 -10.052 -12.647 0.627 1.00 0.00 C ATOM 1336 O ASP A 80 -10.576 -13.197 -0.348 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.214 -10.939 0.246 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.247 -11.357 1.349 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.048 -10.539 2.270 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.728 -12.495 1.270 1.00 0.00 O ATOM 0 H ASP A 80 -9.198 -10.093 2.339 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.307 -10.673 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.982 -11.508 -0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.042 -9.888 0.012 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.844 -13.287 1.799 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.268 -14.689 2.006 1.00 0.00 C ATOM 1347 C HIS A 81 -11.792 -14.797 2.002 1.00 0.00 C ATOM 1348 O HIS A 81 -12.345 -15.704 1.398 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.730 -15.225 3.347 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.267 -15.529 3.465 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.318 -15.487 2.482 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.636 -15.849 4.635 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.140 -15.763 3.062 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.278 -15.922 4.382 1.00 0.00 N ATOM 0 H HIS A 81 -9.390 -12.861 2.607 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.861 -15.284 1.188 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.980 -14.496 4.118 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.277 -16.138 3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.114 -16.016 5.589 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.203 -15.846 2.532 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.534 -16.068 5.064 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.470 -13.870 2.700 1.00 0.00 N ATOM 1363 CA LEU A 82 -13.936 -13.880 2.772 1.00 0.00 C ATOM 1364 C LEU A 82 -14.554 -13.637 1.381 1.00 0.00 C ATOM 1365 O LEU A 82 -15.447 -14.366 0.960 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.429 -12.806 3.758 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.975 -12.854 3.841 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.509 -12.794 5.266 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.655 -11.739 3.032 1.00 0.00 C ATOM 0 H LEU A 82 -12.028 -13.111 3.218 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.252 -14.861 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.996 -12.975 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.102 -11.819 3.431 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.224 -13.823 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.598 -12.832 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.126 -13.641 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.186 -11.866 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.737 -11.826 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.334 -10.768 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.377 -11.830 1.982 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.053 -12.618 0.669 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.502 -12.319 -0.704 1.00 0.00 C ATOM 1383 C LYS A 83 -14.216 -13.503 -1.634 1.00 0.00 C ATOM 1384 O LYS A 83 -14.983 -13.776 -2.549 1.00 0.00 O ATOM 1385 CB LYS A 83 -13.778 -11.061 -1.224 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.288 -10.559 -2.585 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.454 -9.361 -3.066 1.00 0.00 C ATOM 1388 CE LYS A 83 -13.963 -8.793 -4.396 1.00 0.00 C ATOM 1389 NZ LYS A 83 -15.233 -8.056 -4.237 1.00 0.00 N ATOM 0 H LYS A 83 -13.335 -11.984 1.019 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.577 -12.141 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.888 -10.263 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.712 -11.276 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.236 -11.364 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.336 -10.270 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.475 -8.578 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.414 -9.667 -3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.209 -8.128 -4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.104 -9.607 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.540 -7.690 -5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.961 -8.696 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.094 -7.263 -3.579 1.00 0.00 H new ATOM 1403 N THR A 84 -13.110 -14.205 -1.381 1.00 0.00 N ATOM 1404 CA THR A 84 -12.756 -15.399 -2.151 1.00 0.00 C ATOM 1405 C THR A 84 -13.724 -16.558 -1.838 1.00 0.00 C ATOM 1406 O THR A 84 -14.384 -17.085 -2.740 1.00 0.00 O ATOM 1407 CB THR A 84 -11.325 -15.838 -1.800 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.435 -14.867 -2.290 1.00 0.00 O ATOM 1409 CG2 THR A 84 -10.849 -17.204 -2.243 1.00 0.00 C ATOM 0 H THR A 84 -12.443 -13.967 -0.647 1.00 0.00 H new ATOM 0 HA THR A 84 -12.824 -15.154 -3.211 1.00 0.00 H new ATOM 0 HB THR A 84 -11.346 -15.930 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.382 -14.122 -1.656 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.820 -17.355 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.486 -17.971 -1.804 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.897 -17.271 -3.330 1.00 0.00 H new ATOM 1417 N HIS A 85 -13.931 -16.820 -0.539 1.00 0.00 N ATOM 1418 CA HIS A 85 -14.865 -17.855 -0.080 1.00 0.00 C ATOM 1419 C HIS A 85 -16.295 -17.538 -0.536 1.00 0.00 C ATOM 1420 O HIS A 85 -17.056 -18.434 -0.889 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.819 -17.946 1.455 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.048 -18.581 2.040 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.385 -19.918 2.012 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.128 -17.881 2.502 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.666 -20.013 2.413 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.140 -18.802 2.723 1.00 0.00 N ATOM 0 H HIS A 85 -13.459 -16.324 0.217 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.567 -18.809 -0.514 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.942 -18.520 1.754 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.701 -16.945 1.870 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.182 -16.815 2.664 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.229 -20.933 2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.079 -18.593 3.062 1.00 0.00 H new ATOM 1434 N THR A 86 -16.615 -16.250 -0.597 1.00 0.00 N ATOM 1435 CA THR A 86 -17.926 -15.787 -1.033 1.00 0.00 C ATOM 1436 C THR A 86 -18.276 -16.369 -2.407 1.00 0.00 C ATOM 1437 O THR A 86 -19.412 -16.777 -2.642 1.00 0.00 O ATOM 1438 CB THR A 86 -17.956 -14.249 -1.113 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.793 -13.716 0.180 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.205 -13.582 -1.663 1.00 0.00 C ATOM 0 H THR A 86 -15.973 -15.498 -0.346 1.00 0.00 H new ATOM 0 HA THR A 86 -18.660 -16.126 -0.302 1.00 0.00 H new ATOM 0 HB THR A 86 -17.155 -14.038 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.839 -13.672 0.398 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.073 -12.500 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.378 -13.919 -2.685 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.062 -13.847 -1.044 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.283 -16.412 -3.316 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.511 -16.879 -4.697 1.00 0.00 C ATOM 1450 C ARG A 87 -17.959 -18.355 -4.731 1.00 0.00 C ATOM 1451 O ARG A 87 -18.624 -18.780 -5.672 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.241 -16.713 -5.525 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.717 -15.270 -5.602 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.254 -15.224 -6.065 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.607 -13.982 -5.613 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.308 -13.711 -5.643 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -11.424 -14.501 -6.213 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -11.857 -12.614 -5.072 1.00 0.00 N ATOM 0 H ARG A 87 -16.322 -16.131 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.309 -16.270 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.461 -17.348 -5.103 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.432 -17.072 -6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.335 -14.694 -6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.805 -14.798 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -13.715 -16.086 -5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.209 -15.289 -7.152 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.218 -13.256 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.727 -15.367 -6.659 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.436 -14.247 -6.209 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.505 -11.977 -4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.860 -12.401 -5.092 1.00 0.00 H new ATOM 1472 N THR A 88 -17.630 -19.117 -3.673 1.00 0.00 N ATOM 1473 CA THR A 88 -18.080 -20.524 -3.559 1.00 0.00 C ATOM 1474 C THR A 88 -19.618 -20.600 -3.500 1.00 0.00 C ATOM 1475 O THR A 88 -20.209 -21.588 -3.928 1.00 0.00 O ATOM 1476 CB THR A 88 -17.503 -21.206 -2.298 1.00 0.00 C ATOM 1477 OG1 THR A 88 -18.048 -20.699 -1.109 1.00 0.00 O ATOM 1478 CG2 THR A 88 -15.975 -21.163 -2.202 1.00 0.00 C ATOM 0 H THR A 88 -17.061 -18.792 -2.891 1.00 0.00 H new ATOM 0 HA THR A 88 -17.715 -21.046 -4.443 1.00 0.00 H new ATOM 0 HB THR A 88 -17.799 -22.248 -2.416 1.00 0.00 H new ATOM 0 HG1 THR A 88 -17.454 -20.010 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.654 -21.663 -1.288 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.542 -21.669 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.641 -20.126 -2.185 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.254 -19.523 -3.008 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.715 -19.440 -2.947 1.00 0.00 C ATOM 1488 C HIS A 89 -22.289 -18.714 -4.184 1.00 0.00 C ATOM 1489 O HIS A 89 -23.438 -18.938 -4.554 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.140 -18.698 -1.675 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.820 -19.438 -0.401 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.226 -20.716 -0.078 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.133 -18.937 0.670 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.792 -20.971 1.170 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.140 -19.912 1.664 1.00 0.00 N ATOM 0 H HIS A 89 -19.774 -18.699 -2.647 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.110 -20.456 -2.933 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.649 -17.725 -1.652 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.213 -18.512 -1.716 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.670 -17.963 0.733 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -21.948 -21.900 1.699 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.726 -19.834 2.593 1.00 0.00 H new ATOM 1503 N THR A 90 -21.494 -17.808 -4.787 1.00 0.00 N ATOM 1504 CA THR A 90 -21.987 -16.971 -5.908 1.00 0.00 C ATOM 1505 C THR A 90 -21.709 -17.624 -7.273 1.00 0.00 C ATOM 1506 O THR A 90 -22.177 -17.139 -8.300 1.00 0.00 O ATOM 1507 CB THR A 90 -21.314 -15.588 -5.898 1.00 0.00 C ATOM 1508 OG1 THR A 90 -19.988 -15.640 -6.304 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.472 -14.807 -4.595 1.00 0.00 C ATOM 0 H THR A 90 -20.523 -17.636 -4.525 1.00 0.00 H new ATOM 0 HA THR A 90 -23.063 -16.870 -5.767 1.00 0.00 H new ATOM 0 HB THR A 90 -21.870 -15.017 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 90 -19.607 -14.737 -6.295 1.00 0.00 H new ATOM 0 HG21 THR A 90 -20.965 -13.846 -4.683 1.00 0.00 H new ATOM 0 HG22 THR A 90 -22.531 -14.642 -4.396 1.00 0.00 H new ATOM 0 HG23 THR A 90 -21.033 -15.375 -3.775 1.00 0.00 H new ATOM 1517 N GLY A 91 -20.973 -18.745 -7.270 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.643 -19.448 -8.519 1.00 0.00 C ATOM 1519 C GLY A 91 -19.716 -18.621 -9.447 1.00 0.00 C ATOM 1520 O GLY A 91 -19.494 -18.995 -10.598 1.00 0.00 O ATOM 0 H GLY A 91 -20.598 -19.181 -6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.159 -20.395 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.564 -19.685 -9.051 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.190 -17.493 -8.936 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.332 -16.602 -9.732 1.00 0.00 C ATOM 1526 C GLU A 92 -16.975 -17.260 -10.013 1.00 0.00 C ATOM 1527 O GLU A 92 -16.042 -17.154 -9.214 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.119 -15.271 -8.991 1.00 0.00 C ATOM 1529 CG GLU A 92 -19.320 -14.329 -9.138 1.00 0.00 C ATOM 1530 CD GLU A 92 -19.146 -13.100 -8.243 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -19.326 -13.274 -7.013 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -18.825 -12.021 -8.785 1.00 0.00 O ATOM 0 H GLU A 92 -19.345 -17.179 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 92 -18.830 -16.410 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -17.942 -15.470 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.225 -14.781 -9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -19.421 -14.018 -10.178 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -20.237 -14.854 -8.871 1.00 0.00 H new ATOM 1539 N LYS A 93 -16.870 -17.919 -11.176 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.623 -18.562 -11.604 1.00 0.00 C ATOM 1541 C LYS A 93 -15.109 -17.925 -12.916 1.00 0.00 C ATOM 1542 O LYS A 93 -15.281 -18.486 -13.998 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.856 -20.074 -11.806 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.149 -20.793 -10.480 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.520 -22.262 -10.703 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.739 -22.952 -9.354 1.00 0.00 C ATOM 1547 NZ LYS A 93 -17.052 -24.383 -9.533 1.00 0.00 N ATOM 0 H LYS A 93 -17.639 -18.020 -11.839 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.870 -18.416 -10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.690 -20.224 -12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.976 -20.517 -12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.274 -20.733 -9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.964 -20.286 -9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.424 -22.330 -11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.728 -22.767 -11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -15.845 -22.846 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.553 -22.463 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -17.196 -24.826 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.918 -24.481 -10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -16.263 -24.852 -10.022 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.505 -16.716 -12.826 1.00 0.00 N ATOM 1562 CA PRO A 94 -14.047 -15.977 -14.000 1.00 0.00 C ATOM 1563 C PRO A 94 -12.727 -16.523 -14.571 1.00 0.00 C ATOM 1564 O PRO A 94 -12.405 -16.284 -15.740 1.00 0.00 O ATOM 1565 CB PRO A 94 -13.858 -14.548 -13.475 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.469 -14.744 -12.009 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.297 -15.959 -11.599 1.00 0.00 C ATOM 0 HA PRO A 94 -14.757 -16.052 -14.824 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.081 -14.019 -14.027 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.773 -13.963 -13.571 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.400 -14.926 -11.895 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.710 -13.868 -11.406 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.775 -16.557 -10.852 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.247 -15.657 -11.158 1.00 0.00 H new ATOM 1575 N PHE A 95 -11.965 -17.265 -13.749 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.670 -17.798 -14.180 1.00 0.00 C ATOM 1577 C PHE A 95 -10.860 -19.083 -15.011 1.00 0.00 C ATOM 1578 O PHE A 95 -10.597 -20.186 -14.541 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.781 -18.077 -12.963 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.504 -16.855 -12.121 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.543 -15.910 -12.529 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.232 -16.652 -10.940 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.309 -14.761 -11.753 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.008 -15.495 -10.170 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.049 -14.550 -10.576 1.00 0.00 C ATOM 0 H PHE A 95 -12.224 -17.505 -12.792 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.182 -17.053 -14.808 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.258 -18.835 -12.342 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.834 -18.495 -13.304 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.985 -16.068 -13.440 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.962 -17.381 -10.622 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.563 -14.043 -12.060 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.574 -15.333 -9.265 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.881 -13.662 -9.984 1.00 0.00 H new ATOM 1595 N SER A 96 -11.313 -18.912 -16.256 1.00 0.00 N ATOM 1596 CA SER A 96 -11.468 -20.031 -17.200 1.00 0.00 C ATOM 1597 C SER A 96 -10.118 -20.415 -17.806 1.00 0.00 C ATOM 1598 O SER A 96 -9.269 -19.555 -18.049 1.00 0.00 O ATOM 1599 CB SER A 96 -12.433 -19.632 -18.324 1.00 0.00 C ATOM 1600 OG SER A 96 -13.667 -19.173 -17.804 1.00 0.00 O ATOM 0 H SER A 96 -11.581 -18.005 -16.639 1.00 0.00 H new ATOM 0 HA SER A 96 -11.868 -20.887 -16.657 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.980 -18.851 -18.935 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.607 -20.487 -18.977 1.00 0.00 H new ATOM 0 HG SER A 96 -14.129 -18.638 -18.483 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.938 -21.710 -18.071 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.724 -22.208 -18.706 1.00 0.00 C ATOM 1608 C CYS A 97 -8.682 -21.801 -20.187 1.00 0.00 C ATOM 1609 O CYS A 97 -9.601 -22.097 -20.954 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.656 -23.729 -18.575 1.00 0.00 C ATOM 1611 SG CYS A 97 -6.968 -24.327 -18.790 1.00 0.00 S ATOM 0 H CYS A 97 -10.623 -22.433 -17.853 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.862 -21.768 -18.205 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -9.029 -24.029 -17.596 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.306 -24.190 -19.319 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.230 -23.908 -17.805 1.00 0.00 H new ATOM 1616 N ARG A 98 -7.638 -21.044 -20.554 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.510 -20.479 -21.909 1.00 0.00 C ATOM 1618 C ARG A 98 -6.788 -21.461 -22.866 1.00 0.00 C ATOM 1619 O ARG A 98 -6.482 -21.109 -24.005 1.00 0.00 O ATOM 1620 CB ARG A 98 -6.727 -19.147 -21.840 1.00 0.00 C ATOM 1621 CG ARG A 98 -7.626 -17.907 -21.687 1.00 0.00 C ATOM 1622 CD ARG A 98 -8.457 -17.876 -20.399 1.00 0.00 C ATOM 1623 NE ARG A 98 -9.219 -16.619 -20.282 1.00 0.00 N ATOM 1624 CZ ARG A 98 -9.856 -16.166 -19.206 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -9.901 -16.814 -18.064 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -10.484 -15.013 -19.254 1.00 0.00 N ATOM 0 H ARG A 98 -6.866 -20.807 -19.930 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.512 -20.303 -22.301 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.033 -19.187 -21.001 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.128 -19.041 -22.744 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.001 -17.015 -21.722 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.302 -17.857 -22.541 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.144 -18.722 -20.387 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.799 -17.986 -19.537 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.262 -16.034 -21.116 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.431 -17.714 -17.970 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.406 -16.417 -17.272 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.482 -14.467 -20.116 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.973 -14.664 -18.430 1.00 0.00 H new ATOM 1640 N TRP A 99 -6.526 -22.688 -22.394 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.856 -23.705 -23.214 1.00 0.00 C ATOM 1642 C TRP A 99 -6.719 -24.073 -24.443 1.00 0.00 C ATOM 1643 O TRP A 99 -7.947 -24.139 -24.352 1.00 0.00 O ATOM 1644 CB TRP A 99 -5.583 -24.962 -22.373 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.305 -24.890 -21.595 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.108 -24.103 -20.518 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -3.031 -25.564 -21.830 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.826 -24.263 -20.041 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -2.110 -25.146 -20.820 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -2.551 -26.476 -22.797 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -0.785 -25.607 -20.770 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -1.222 -26.944 -22.758 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -0.342 -26.515 -21.747 1.00 0.00 C ATOM 0 H TRP A 99 -6.767 -22.999 -21.453 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.910 -23.294 -23.566 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -6.412 -25.115 -21.682 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.551 -25.831 -23.031 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.848 -23.443 -20.091 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.454 -23.789 -19.218 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.213 -26.820 -23.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.116 -25.269 -19.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.876 -27.638 -23.510 1.00 0.00 H new ATOM 0 HH2 TRP A 99 0.673 -26.883 -21.722 1.00 0.00 H new ATOM 1664 N PRO A 100 -6.072 -24.361 -25.598 1.00 0.00 N ATOM 1665 CA PRO A 100 -6.771 -24.691 -26.849 1.00 0.00 C ATOM 1666 C PRO A 100 -7.370 -26.122 -26.840 1.00 0.00 C ATOM 1667 O PRO A 100 -7.470 -26.772 -27.883 1.00 0.00 O ATOM 1668 CB PRO A 100 -5.672 -24.559 -27.918 1.00 0.00 C ATOM 1669 CG PRO A 100 -4.395 -24.942 -27.168 1.00 0.00 C ATOM 1670 CD PRO A 100 -4.626 -24.346 -25.779 1.00 0.00 C ATOM 0 HA PRO A 100 -7.627 -24.039 -27.021 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.854 -25.221 -28.764 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.616 -23.545 -28.313 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.259 -26.023 -27.127 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.507 -24.527 -27.644 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.126 -24.934 -25.009 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.231 -23.332 -25.714 1.00 0.00 H new ATOM 1678 N SER A 101 -7.745 -26.603 -25.652 1.00 0.00 N ATOM 1679 CA SER A 101 -8.352 -27.935 -25.497 1.00 0.00 C ATOM 1680 C SER A 101 -9.045 -28.069 -24.123 1.00 0.00 C ATOM 1681 O SER A 101 -9.246 -29.179 -23.631 1.00 0.00 O ATOM 1682 CB SER A 101 -7.272 -29.024 -25.638 1.00 0.00 C ATOM 1683 OG SER A 101 -6.806 -29.085 -26.973 1.00 0.00 O ATOM 0 H SER A 101 -7.640 -26.090 -24.777 1.00 0.00 H new ATOM 0 HA SER A 101 -9.102 -28.060 -26.278 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.441 -28.811 -24.965 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.680 -29.991 -25.344 1.00 0.00 H new ATOM 0 HG SER A 101 -7.303 -28.443 -27.522 1.00 0.00 H new ATOM 1689 N CYS A 102 -9.400 -26.922 -23.511 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.036 -26.909 -22.194 1.00 0.00 C ATOM 1691 C CYS A 102 -11.132 -25.828 -22.117 1.00 0.00 C ATOM 1692 O CYS A 102 -11.286 -25.007 -23.029 1.00 0.00 O ATOM 1693 CB CYS A 102 -8.978 -26.652 -21.112 1.00 0.00 C ATOM 1694 SG CYS A 102 -9.695 -26.935 -19.470 1.00 0.00 S ATOM 0 H CYS A 102 -9.254 -25.996 -23.914 1.00 0.00 H new ATOM 0 HA CYS A 102 -10.503 -27.880 -22.030 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.123 -27.310 -21.264 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.610 -25.629 -21.186 1.00 0.00 H new ATOM 0 HG CYS A 102 -8.744 -26.992 -18.585 1.00 0.00 H new ATOM 1699 N GLN A 103 -11.880 -25.841 -21.011 1.00 0.00 N ATOM 1700 CA GLN A 103 -12.897 -24.830 -20.736 1.00 0.00 C ATOM 1701 C GLN A 103 -13.345 -24.897 -19.249 1.00 0.00 C ATOM 1702 O GLN A 103 -14.448 -24.459 -18.902 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.116 -25.047 -21.668 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.917 -23.770 -21.980 1.00 0.00 C ATOM 1705 CD GLN A 103 -14.139 -22.609 -22.615 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -14.606 -21.481 -22.604 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -12.956 -22.793 -23.175 1.00 0.00 N ATOM 0 H GLN A 103 -11.796 -26.552 -20.284 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.471 -23.844 -20.924 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.768 -25.480 -22.606 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.783 -25.776 -21.208 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.737 -24.036 -22.647 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.365 -23.413 -21.052 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.542 -23.725 -23.198 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -12.457 -22.003 -23.584 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.459 -25.420 -18.373 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.737 -25.479 -16.932 1.00 0.00 C ATOM 1718 C LYS A 104 -12.570 -24.101 -16.316 1.00 0.00 C ATOM 1719 O LYS A 104 -11.813 -23.280 -16.821 1.00 0.00 O ATOM 1720 CB LYS A 104 -11.781 -26.480 -16.243 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.317 -27.925 -16.237 1.00 0.00 C ATOM 1722 CD LYS A 104 -12.008 -28.746 -17.496 1.00 0.00 C ATOM 1723 CE LYS A 104 -10.560 -29.244 -17.463 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.190 -29.935 -18.711 1.00 0.00 N ATOM 0 H LYS A 104 -11.553 -25.803 -18.642 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.764 -25.815 -16.787 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.816 -26.459 -16.750 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.608 -26.159 -15.216 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.902 -28.445 -15.374 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.398 -27.893 -16.101 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.690 -29.594 -17.562 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.170 -28.136 -18.385 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.889 -28.400 -17.302 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.428 -29.922 -16.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.403 -30.590 -18.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.008 -30.469 -19.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.897 -29.235 -19.422 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.330 -23.827 -15.252 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.387 -22.482 -14.673 1.00 0.00 C ATOM 1740 C LYS A 105 -13.129 -22.521 -13.176 1.00 0.00 C ATOM 1741 O LYS A 105 -13.591 -23.423 -12.480 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.761 -21.853 -14.953 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.104 -21.905 -16.450 1.00 0.00 C ATOM 1744 CD LYS A 105 -16.282 -21.002 -16.830 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.405 -20.893 -18.355 1.00 0.00 C ATOM 1746 NZ LYS A 105 -16.661 -22.203 -18.992 1.00 0.00 N ATOM 0 H LYS A 105 -13.912 -24.516 -14.776 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.609 -21.875 -15.136 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.527 -22.379 -14.384 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.766 -20.818 -14.612 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.228 -21.611 -17.028 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.338 -22.933 -16.727 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -17.205 -21.404 -16.413 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.142 -20.011 -16.399 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.214 -20.206 -18.604 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.488 -20.467 -18.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.837 -22.067 -20.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.833 -22.819 -18.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.493 -22.646 -18.553 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.409 -21.509 -12.684 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.074 -21.406 -11.264 1.00 0.00 C ATOM 1762 C PHE A 106 -12.417 -20.023 -10.726 1.00 0.00 C ATOM 1763 O PHE A 106 -12.559 -19.062 -11.488 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.577 -21.688 -11.060 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.203 -23.052 -11.608 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.444 -24.212 -10.847 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.778 -23.168 -12.943 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.286 -25.480 -11.434 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.643 -24.432 -13.539 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.910 -25.589 -12.784 1.00 0.00 C ATOM 0 H PHE A 106 -12.045 -20.745 -13.254 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.660 -22.144 -10.717 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.987 -20.918 -11.557 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.335 -21.640 -9.998 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.750 -24.128 -9.815 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.554 -22.279 -13.514 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.454 -26.371 -10.847 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.336 -24.516 -14.571 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.826 -26.563 -13.243 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.559 -19.930 -9.403 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.905 -18.673 -8.747 1.00 0.00 C ATOM 1782 C ALA A 107 -11.660 -17.999 -8.153 1.00 0.00 C ATOM 1783 O ALA A 107 -11.752 -16.914 -7.574 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.936 -18.936 -7.644 1.00 0.00 C ATOM 0 H ALA A 107 -12.439 -20.716 -8.764 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.330 -18.000 -9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.193 -17.996 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.833 -19.375 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.516 -19.624 -6.910 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.488 -18.631 -8.337 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.221 -18.066 -7.883 1.00 0.00 C ATOM 1792 C ARG A 108 -8.156 -18.169 -8.978 1.00 0.00 C ATOM 1793 O ARG A 108 -8.052 -19.187 -9.679 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.744 -18.795 -6.629 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.619 -18.599 -5.388 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.381 -19.692 -4.342 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.956 -19.894 -4.016 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.499 -20.483 -2.918 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.293 -20.701 -1.900 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.249 -20.866 -2.866 1.00 0.00 N ATOM 0 H ARG A 108 -10.400 -19.536 -8.799 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.379 -17.013 -7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.686 -19.861 -6.848 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.733 -18.462 -6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.411 -17.624 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.669 -18.599 -5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.921 -19.436 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.799 -20.630 -4.707 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.268 -19.554 -4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.272 -20.418 -1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.933 -21.154 -1.060 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.634 -20.711 -3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.889 -21.319 -2.026 1.00 0.00 H new ATOM 1814 N SER A 109 -7.348 -17.120 -9.094 1.00 0.00 N ATOM 1815 CA SER A 109 -6.289 -17.059 -10.091 1.00 0.00 C ATOM 1816 C SER A 109 -5.286 -18.206 -9.901 1.00 0.00 C ATOM 1817 O SER A 109 -4.918 -18.876 -10.860 1.00 0.00 O ATOM 1818 CB SER A 109 -5.557 -15.707 -9.991 1.00 0.00 C ATOM 1819 OG SER A 109 -5.310 -15.356 -8.641 1.00 0.00 O ATOM 0 H SER A 109 -7.410 -16.292 -8.501 1.00 0.00 H new ATOM 0 HA SER A 109 -6.742 -17.159 -11.077 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.613 -15.761 -10.534 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.155 -14.931 -10.468 1.00 0.00 H new ATOM 0 HG SER A 109 -4.843 -14.495 -8.607 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.887 -18.458 -8.647 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.940 -19.536 -8.334 1.00 0.00 C ATOM 1827 C ASP A 110 -4.563 -20.934 -8.599 1.00 0.00 C ATOM 1828 O ASP A 110 -3.860 -21.856 -9.001 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.479 -19.432 -6.878 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.527 -19.745 -5.810 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.679 -19.289 -5.952 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.156 -20.400 -4.811 1.00 0.00 O ATOM 0 H ASP A 110 -5.205 -17.931 -7.834 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.078 -19.422 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.635 -20.108 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.109 -18.421 -6.708 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.885 -21.076 -8.375 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.591 -22.332 -8.705 1.00 0.00 C ATOM 1839 C GLU A 111 -6.481 -22.619 -10.202 1.00 0.00 C ATOM 1840 O GLU A 111 -6.196 -23.749 -10.604 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.082 -22.250 -8.306 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.392 -22.660 -6.856 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.905 -22.714 -6.548 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.674 -21.994 -7.234 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.270 -23.437 -5.596 1.00 0.00 O ATOM 0 H GLU A 111 -6.478 -20.350 -7.974 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.122 -23.139 -8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.428 -21.228 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.658 -22.886 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.953 -23.638 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.914 -21.955 -6.176 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.634 -21.569 -11.028 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.443 -21.702 -12.472 1.00 0.00 C ATOM 1854 C LEU A 112 -4.970 -22.035 -12.808 1.00 0.00 C ATOM 1855 O LEU A 112 -4.706 -22.894 -13.640 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.869 -20.415 -13.190 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.625 -20.492 -14.712 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.389 -21.647 -15.370 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -7.015 -19.191 -15.413 1.00 0.00 C ATOM 0 H LEU A 112 -6.887 -20.630 -10.719 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.069 -22.524 -12.819 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.926 -20.228 -13.002 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.318 -19.570 -12.777 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.555 -20.665 -14.827 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.183 -21.657 -16.440 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.069 -22.592 -14.930 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.459 -21.515 -15.208 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.829 -19.284 -16.483 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.073 -18.990 -15.245 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.422 -18.369 -15.012 1.00 0.00 H new ATOM 1871 N VAL A 113 -4.017 -21.374 -12.122 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.573 -21.671 -12.316 1.00 0.00 C ATOM 1873 C VAL A 113 -2.294 -23.153 -12.015 1.00 0.00 C ATOM 1874 O VAL A 113 -1.639 -23.844 -12.795 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.708 -20.780 -11.384 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.220 -21.165 -11.434 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.779 -19.283 -11.708 1.00 0.00 C ATOM 0 H VAL A 113 -4.210 -20.642 -11.438 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.313 -21.458 -13.353 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.134 -20.958 -10.397 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.347 -20.515 -10.767 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.102 -22.202 -11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.151 -21.051 -12.453 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.148 -18.730 -11.013 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.431 -19.114 -12.727 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.809 -18.939 -11.615 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.835 -23.634 -10.893 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.709 -25.044 -10.516 1.00 0.00 C ATOM 1889 C ARG A 114 -3.320 -25.947 -11.599 1.00 0.00 C ATOM 1890 O ARG A 114 -2.678 -26.886 -12.060 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.408 -25.296 -9.170 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.270 -26.771 -8.749 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.781 -27.024 -7.333 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.913 -26.391 -6.331 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.021 -26.523 -5.016 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -3.944 -27.279 -4.468 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.203 -25.876 -4.221 1.00 0.00 N ATOM 0 H ARG A 114 -3.364 -23.068 -10.230 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.650 -25.282 -10.418 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.975 -24.653 -8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.463 -25.033 -9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.822 -27.399 -9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.223 -27.067 -8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.795 -26.637 -7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.831 -28.097 -7.148 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.160 -25.797 -6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.604 -27.786 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.001 -27.360 -3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.483 -25.270 -4.614 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.287 -25.978 -3.210 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.527 -25.598 -12.063 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.203 -26.367 -13.116 1.00 0.00 C ATOM 1913 C HIS A 115 -4.361 -26.398 -14.404 1.00 0.00 C ATOM 1914 O HIS A 115 -4.173 -27.452 -15.000 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.571 -25.760 -13.412 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.215 -26.520 -14.539 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.628 -27.832 -14.475 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.260 -26.123 -15.850 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.927 -28.211 -15.726 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.741 -27.198 -16.580 1.00 0.00 N ATOM 0 H HIS A 115 -5.054 -24.792 -11.727 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.329 -27.390 -12.760 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.201 -25.801 -12.523 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.466 -24.709 -13.680 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.694 -28.407 -13.635 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.975 -25.157 -16.240 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.270 -29.196 -16.005 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.811 -25.244 -14.788 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.922 -25.155 -15.945 1.00 0.00 C ATOM 1930 C HIS A 116 -1.722 -26.117 -15.790 1.00 0.00 C ATOM 1931 O HIS A 116 -1.234 -26.669 -16.775 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.419 -23.713 -16.118 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.396 -22.739 -16.745 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.565 -23.013 -17.431 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -3.186 -21.388 -16.847 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -5.018 -21.861 -17.950 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -4.214 -20.840 -17.620 1.00 0.00 N ATOM 0 H HIS A 116 -3.967 -24.356 -14.311 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.486 -25.445 -16.832 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -2.132 -23.329 -15.139 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.516 -23.735 -16.729 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -2.366 -20.841 -16.406 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.910 -21.769 -18.552 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.329 -19.861 -17.880 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.260 -26.322 -14.540 1.00 0.00 N ATOM 1946 CA ASN A 117 -0.142 -27.235 -14.267 1.00 0.00 C ATOM 1947 C ASN A 117 -0.529 -28.712 -14.588 1.00 0.00 C ATOM 1948 O ASN A 117 0.346 -29.563 -14.746 1.00 0.00 O ATOM 1949 CB ASN A 117 0.286 -27.115 -12.788 1.00 0.00 C ATOM 1950 CG ASN A 117 1.752 -27.452 -12.536 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.451 -26.747 -11.828 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.272 -28.528 -13.092 1.00 0.00 N ATOM 0 H ASN A 117 -1.644 -25.869 -13.711 1.00 0.00 H new ATOM 0 HA ASN A 117 0.691 -26.953 -14.911 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.094 -26.098 -12.446 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -0.337 -27.776 -12.186 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.251 -28.764 -12.928 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.696 -29.124 -13.686 1.00 0.00 H new ATOM 1959 N MET A 118 -1.841 -28.984 -14.718 1.00 0.00 N ATOM 1960 CA MET A 118 -2.330 -30.321 -15.112 1.00 0.00 C ATOM 1961 C MET A 118 -2.260 -30.508 -16.648 1.00 0.00 C ATOM 1962 O MET A 118 -2.372 -31.626 -17.146 1.00 0.00 O ATOM 1963 CB MET A 118 -3.787 -30.512 -14.640 1.00 0.00 C ATOM 1964 CG MET A 118 -4.023 -30.205 -13.155 1.00 0.00 C ATOM 1965 SD MET A 118 -5.764 -30.309 -12.649 1.00 0.00 S ATOM 1966 CE MET A 118 -5.591 -29.856 -10.904 1.00 0.00 C ATOM 0 H MET A 118 -2.580 -28.299 -14.557 1.00 0.00 H new ATOM 0 HA MET A 118 -1.690 -31.066 -14.639 1.00 0.00 H new ATOM 0 HB2 MET A 118 -4.436 -29.871 -15.237 1.00 0.00 H new ATOM 0 HB3 MET A 118 -4.087 -31.541 -14.837 1.00 0.00 H new ATOM 0 HG2 MET A 118 -3.438 -30.900 -12.553 1.00 0.00 H new ATOM 0 HG3 MET A 118 -3.651 -29.204 -12.938 1.00 0.00 H new ATOM 0 HE1 MET A 118 -6.571 -29.867 -10.426 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.936 -30.571 -10.406 1.00 0.00 H new ATOM 0 HE3 MET A 118 -5.162 -28.857 -10.828 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.039 -29.401 -17.378 1.00 0.00 N ATOM 1977 CA HIS A 119 -1.883 -29.444 -18.834 1.00 0.00 C ATOM 1978 C HIS A 119 -0.400 -29.423 -19.211 1.00 0.00 C ATOM 1979 O HIS A 119 -0.021 -29.846 -20.303 1.00 0.00 O ATOM 1980 CB HIS A 119 -2.594 -28.245 -19.476 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.099 -28.301 -19.471 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -4.865 -29.275 -20.080 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -4.952 -27.348 -18.976 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.154 -28.924 -19.931 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.246 -27.766 -19.278 1.00 0.00 N ATOM 0 H HIS A 119 -1.965 -28.466 -16.978 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.330 -30.367 -19.203 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.280 -27.339 -18.957 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.255 -28.155 -20.508 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.517 -30.108 -20.555 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.674 -26.446 -18.452 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -6.995 -29.499 -20.289 1.00 0.00 H new