USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 812 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 59 HIS : no HD1:sc= -6.66! C(o=-9.1!,f=-5.6!) USER MOD Set 1.2: A 83 LYS NZ :NH3+ 179:sc= -2.44! (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.403 K(o=-0.4,f=-1) USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00536 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.863 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= -1.28 (180deg=-1.45) USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= 0.0143 (180deg=0) USER MOD Single : A 50 MET CE :methyl -154:sc= -1.94 (180deg=-2.86!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.82) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0694 (180deg=-0.383) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-5.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 62:sc= 0.298 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 178:sc= -0.941 (180deg=-1.03) USER MOD Single : A 78 GLN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0308 K(o=-0.031,f=-1.5!) USER MOD Single : A 89 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.35) USER MOD Single : A 90 TYR OH : rot -21:sc= 1.19 USER MOD Single : A 92 CYS SG : rot -8:sc= 0.662 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 96 TYR OH : rot 130:sc= -0.252 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot -130:sc= -0.109 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -2.99! C(o=-3!,f=-3.5!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 10.799 4.268 0.001 1.00 0.00 N ATOM 125 CA ILE A 11 11.132 5.466 -0.760 1.00 0.00 C ATOM 126 C ILE A 11 9.874 6.218 -1.180 1.00 0.00 C ATOM 127 O ILE A 11 9.766 7.427 -0.978 1.00 0.00 O ATOM 128 CB ILE A 11 11.956 5.125 -2.015 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.534 6.399 -2.634 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.098 4.381 -3.026 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.872 6.801 -2.053 1.00 0.00 C ATOM 0 HA ILE A 11 11.729 6.100 -0.105 1.00 0.00 H new ATOM 0 HB ILE A 11 12.783 4.478 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.643 6.254 -3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.826 7.215 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.695 4.147 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.730 3.456 -2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.253 5.005 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.221 7.712 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.765 6.979 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.595 6.002 -2.218 1.00 0.00 H new ATOM 143 N GLU A 12 8.925 5.493 -1.764 1.00 0.00 N ATOM 144 CA GLU A 12 7.673 6.092 -2.211 1.00 0.00 C ATOM 145 C GLU A 12 6.492 5.543 -1.416 1.00 0.00 C ATOM 146 O GLU A 12 6.546 4.430 -0.891 1.00 0.00 O ATOM 147 CB GLU A 12 7.463 5.831 -3.704 1.00 0.00 C ATOM 148 CG GLU A 12 6.672 6.922 -4.407 1.00 0.00 C ATOM 149 CD GLU A 12 7.500 8.164 -4.672 1.00 0.00 C ATOM 150 OE1 GLU A 12 8.707 8.021 -4.962 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.943 9.278 -4.590 1.00 0.00 O ATOM 0 H GLU A 12 8.999 4.491 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 12 7.733 7.167 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.435 5.730 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.945 4.880 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.289 6.537 -5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.808 7.189 -3.798 1.00 0.00 H new ATOM 158 N LYS A 13 5.426 6.331 -1.331 1.00 0.00 N ATOM 159 CA LYS A 13 4.231 5.926 -0.601 1.00 0.00 C ATOM 160 C LYS A 13 3.007 5.940 -1.512 1.00 0.00 C ATOM 161 O LYS A 13 2.851 6.810 -2.369 1.00 0.00 O ATOM 162 CB LYS A 13 4.000 6.852 0.595 1.00 0.00 C ATOM 163 CG LYS A 13 5.183 6.923 1.545 1.00 0.00 C ATOM 164 CD LYS A 13 5.205 8.236 2.311 1.00 0.00 C ATOM 165 CE LYS A 13 5.998 9.301 1.569 1.00 0.00 C ATOM 166 NZ LYS A 13 6.232 10.506 2.412 1.00 0.00 N ATOM 0 H LYS A 13 5.365 7.255 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 13 4.383 4.909 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.777 7.855 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.123 6.510 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.137 6.091 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.110 6.813 0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.184 8.584 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.642 8.076 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.956 8.887 1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.462 9.589 0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.775 11.208 1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.318 10.916 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.766 10.236 3.263 1.00 0.00 H new ATOM 180 N PRO A 14 2.116 4.955 -1.322 1.00 0.00 N ATOM 181 CA PRO A 14 0.889 4.834 -2.115 1.00 0.00 C ATOM 182 C PRO A 14 -0.116 5.937 -1.801 1.00 0.00 C ATOM 183 O PRO A 14 -0.818 5.879 -0.792 1.00 0.00 O ATOM 184 CB PRO A 14 0.332 3.470 -1.702 1.00 0.00 C ATOM 185 CG PRO A 14 0.881 3.235 -0.337 1.00 0.00 C ATOM 186 CD PRO A 14 2.237 3.885 -0.318 1.00 0.00 C ATOM 0 HA PRO A 14 1.085 4.924 -3.184 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.758 3.473 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.645 2.688 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.231 3.666 0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.957 2.168 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.478 4.284 0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.025 3.178 -0.577 1.00 0.00 H new ATOM 194 N GLN A 15 -0.179 6.940 -2.671 1.00 0.00 N ATOM 195 CA GLN A 15 -1.099 8.056 -2.485 1.00 0.00 C ATOM 196 C GLN A 15 -2.540 7.621 -2.729 1.00 0.00 C ATOM 197 O GLN A 15 -2.900 7.228 -3.838 1.00 0.00 O ATOM 198 CB GLN A 15 -0.734 9.207 -3.424 1.00 0.00 C ATOM 199 CG GLN A 15 0.592 9.869 -3.090 1.00 0.00 C ATOM 200 CD GLN A 15 0.684 10.291 -1.637 1.00 0.00 C ATOM 201 OE1 GLN A 15 -0.318 10.652 -1.019 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.890 10.249 -1.083 1.00 0.00 N ATOM 0 H GLN A 15 0.396 7.003 -3.511 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.013 8.397 -1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.696 8.832 -4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.524 9.957 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.405 9.179 -3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.728 10.743 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.693 9.943 -1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.013 10.522 -0.108 1.00 0.00 H new ATOM 211 N GLY A 16 -3.360 7.693 -1.685 1.00 0.00 N ATOM 212 CA GLY A 16 -4.752 7.302 -1.807 1.00 0.00 C ATOM 213 C GLY A 16 -5.484 8.090 -2.876 1.00 0.00 C ATOM 214 O GLY A 16 -5.018 9.144 -3.308 1.00 0.00 O ATOM 0 H GLY A 16 -3.085 8.015 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.808 6.239 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.252 7.444 -0.849 1.00 0.00 H new ATOM 218 N GLY A 17 -6.633 7.577 -3.305 1.00 0.00 N ATOM 219 CA GLY A 17 -7.411 8.252 -4.327 1.00 0.00 C ATOM 220 C GLY A 17 -8.899 8.003 -4.183 1.00 0.00 C ATOM 221 O GLY A 17 -9.396 7.787 -3.077 1.00 0.00 O ATOM 0 H GLY A 17 -7.039 6.706 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.219 9.324 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.083 7.915 -5.310 1.00 0.00 H new ATOM 225 N THR A 18 -9.614 8.034 -5.303 1.00 0.00 N ATOM 226 CA THR A 18 -11.055 7.812 -5.297 1.00 0.00 C ATOM 227 C THR A 18 -11.494 7.017 -6.521 1.00 0.00 C ATOM 228 O THR A 18 -11.379 7.486 -7.653 1.00 0.00 O ATOM 229 CB THR A 18 -11.828 9.144 -5.260 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.196 10.052 -4.351 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.272 8.919 -4.839 1.00 0.00 C ATOM 0 H THR A 18 -9.219 8.211 -6.226 1.00 0.00 H new ATOM 0 HA THR A 18 -11.283 7.242 -4.396 1.00 0.00 H new ATOM 0 HB THR A 18 -11.821 9.571 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.692 10.897 -4.334 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.798 9.873 -4.820 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.758 8.251 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.296 8.472 -3.845 1.00 0.00 H new ATOM 239 N VAL A 19 -11.999 5.809 -6.287 1.00 0.00 N ATOM 240 CA VAL A 19 -12.457 4.949 -7.371 1.00 0.00 C ATOM 241 C VAL A 19 -13.962 4.718 -7.290 1.00 0.00 C ATOM 242 O VAL A 19 -14.521 4.567 -6.203 1.00 0.00 O ATOM 243 CB VAL A 19 -11.738 3.587 -7.349 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.073 2.827 -6.075 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.106 2.771 -8.579 1.00 0.00 C ATOM 0 H VAL A 19 -12.101 5.405 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.220 5.461 -8.303 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.662 3.763 -7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.556 1.867 -6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.755 3.409 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.149 2.659 -6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.589 1.812 -8.547 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.183 2.603 -8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.810 3.313 -9.477 1.00 0.00 H new ATOM 255 N LYS A 20 -14.614 4.690 -8.447 1.00 0.00 N ATOM 256 CA LYS A 20 -16.054 4.476 -8.510 1.00 0.00 C ATOM 257 C LYS A 20 -16.400 3.017 -8.232 1.00 0.00 C ATOM 258 O LYS A 20 -15.579 2.123 -8.441 1.00 0.00 O ATOM 259 CB LYS A 20 -16.593 4.885 -9.883 1.00 0.00 C ATOM 260 CG LYS A 20 -18.098 5.084 -9.911 1.00 0.00 C ATOM 261 CD LYS A 20 -18.512 6.325 -9.138 1.00 0.00 C ATOM 262 CE LYS A 20 -18.153 7.596 -9.892 1.00 0.00 C ATOM 263 NZ LYS A 20 -19.260 8.047 -10.780 1.00 0.00 N ATOM 0 H LYS A 20 -14.167 4.813 -9.355 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.521 5.095 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.107 5.810 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.322 4.122 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.435 5.169 -10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.589 4.209 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.586 6.300 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.023 6.328 -8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.915 8.386 -9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.257 7.424 -10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.975 8.916 -11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.471 7.304 -11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.108 8.236 -10.209 1.00 0.00 H new ATOM 277 N VAL A 21 -17.620 2.781 -7.760 1.00 0.00 N ATOM 278 CA VAL A 21 -18.075 1.430 -7.455 1.00 0.00 C ATOM 279 C VAL A 21 -18.137 0.574 -8.716 1.00 0.00 C ATOM 280 O VAL A 21 -18.842 0.904 -9.668 1.00 0.00 O ATOM 281 CB VAL A 21 -19.463 1.442 -6.787 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.020 0.030 -6.689 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.386 2.091 -5.413 1.00 0.00 C ATOM 0 H VAL A 21 -18.312 3.509 -7.580 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.351 1.001 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.140 2.032 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.001 0.058 -6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.112 -0.395 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.346 -0.586 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.375 2.091 -4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.695 1.530 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.033 3.117 -5.515 1.00 0.00 H new ATOM 293 N GLY A 22 -17.394 -0.528 -8.713 1.00 0.00 N ATOM 294 CA GLY A 22 -17.379 -1.415 -9.862 1.00 0.00 C ATOM 295 C GLY A 22 -16.233 -1.119 -10.808 1.00 0.00 C ATOM 296 O GLY A 22 -16.032 -1.831 -11.791 1.00 0.00 O ATOM 0 H GLY A 22 -16.802 -0.823 -7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.306 -2.447 -9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.323 -1.324 -10.400 1.00 0.00 H new ATOM 300 N GLU A 23 -15.481 -0.063 -10.513 1.00 0.00 N ATOM 301 CA GLU A 23 -14.351 0.327 -11.348 1.00 0.00 C ATOM 302 C GLU A 23 -13.077 -0.388 -10.908 1.00 0.00 C ATOM 303 O GLU A 23 -13.102 -1.222 -10.003 1.00 0.00 O ATOM 304 CB GLU A 23 -14.145 1.842 -11.290 1.00 0.00 C ATOM 305 CG GLU A 23 -14.956 2.607 -12.322 1.00 0.00 C ATOM 306 CD GLU A 23 -14.607 4.082 -12.362 1.00 0.00 C ATOM 307 OE1 GLU A 23 -14.312 4.652 -11.291 1.00 0.00 O ATOM 308 OE2 GLU A 23 -14.629 4.666 -13.466 1.00 0.00 O ATOM 0 H GLU A 23 -15.634 0.537 -9.703 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.573 0.037 -12.375 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.411 2.198 -10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.087 2.062 -11.436 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.788 2.171 -13.307 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.017 2.495 -12.101 1.00 0.00 H new ATOM 315 N ASP A 24 -11.966 -0.056 -11.555 1.00 0.00 N ATOM 316 CA ASP A 24 -10.681 -0.665 -11.231 1.00 0.00 C ATOM 317 C ASP A 24 -9.632 0.402 -10.937 1.00 0.00 C ATOM 318 O ASP A 24 -9.440 1.331 -11.723 1.00 0.00 O ATOM 319 CB ASP A 24 -10.211 -1.557 -12.381 1.00 0.00 C ATOM 320 CG ASP A 24 -9.831 -0.760 -13.614 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.708 -0.060 -14.161 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.656 -0.837 -14.032 1.00 0.00 O ATOM 0 H ASP A 24 -11.929 0.632 -12.307 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.812 -1.276 -10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.354 -2.145 -12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.002 -2.262 -12.637 1.00 0.00 H new ATOM 327 N ILE A 25 -8.957 0.264 -9.801 1.00 0.00 N ATOM 328 CA ILE A 25 -7.928 1.217 -9.404 1.00 0.00 C ATOM 329 C ILE A 25 -6.649 0.501 -8.983 1.00 0.00 C ATOM 330 O ILE A 25 -6.684 -0.644 -8.532 1.00 0.00 O ATOM 331 CB ILE A 25 -8.406 2.113 -8.245 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.254 2.978 -7.731 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.980 1.263 -7.121 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.707 4.152 -6.893 1.00 0.00 C ATOM 0 H ILE A 25 -9.104 -0.498 -9.139 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.724 1.841 -10.274 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.192 2.771 -8.615 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.581 2.358 -7.139 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.681 3.348 -8.581 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.313 1.910 -6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.826 0.686 -7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.213 0.583 -6.751 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.838 4.720 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.356 4.795 -7.488 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.254 3.789 -6.023 1.00 0.00 H new ATOM 346 N THR A 26 -5.518 1.185 -9.131 1.00 0.00 N ATOM 347 CA THR A 26 -4.227 0.615 -8.767 1.00 0.00 C ATOM 348 C THR A 26 -3.351 1.645 -8.064 1.00 0.00 C ATOM 349 O THR A 26 -3.316 2.813 -8.451 1.00 0.00 O ATOM 350 CB THR A 26 -3.480 0.079 -10.002 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.388 -0.624 -10.857 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.345 -0.846 -9.590 1.00 0.00 C ATOM 0 H THR A 26 -5.471 2.135 -9.501 1.00 0.00 H new ATOM 0 HA THR A 26 -4.428 -0.213 -8.087 1.00 0.00 H new ATOM 0 HB THR A 26 -3.058 0.928 -10.540 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.905 -0.960 -11.641 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.832 -1.212 -10.480 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.640 -0.300 -8.964 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.748 -1.690 -9.031 1.00 0.00 H new ATOM 360 N PHE A 27 -2.642 1.205 -7.029 1.00 0.00 N ATOM 361 CA PHE A 27 -1.765 2.090 -6.271 1.00 0.00 C ATOM 362 C PHE A 27 -0.299 1.771 -6.550 1.00 0.00 C ATOM 363 O PHE A 27 0.041 0.652 -6.936 1.00 0.00 O ATOM 364 CB PHE A 27 -2.050 1.965 -4.773 1.00 0.00 C ATOM 365 CG PHE A 27 -3.471 2.283 -4.405 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.450 1.304 -4.460 1.00 0.00 C ATOM 367 CD2 PHE A 27 -3.827 3.560 -4.004 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.759 1.593 -4.121 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.134 3.855 -3.663 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.101 2.870 -3.723 1.00 0.00 C ATOM 0 H PHE A 27 -2.658 0.241 -6.696 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.963 3.114 -6.587 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.818 0.950 -4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.384 2.633 -4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.188 0.304 -4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.075 4.334 -3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.513 0.821 -4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.399 4.854 -3.350 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.123 3.099 -3.459 1.00 0.00 H new ATOM 380 N ILE A 28 0.563 2.763 -6.353 1.00 0.00 N ATOM 381 CA ILE A 28 1.992 2.588 -6.583 1.00 0.00 C ATOM 382 C ILE A 28 2.768 2.624 -5.270 1.00 0.00 C ATOM 383 O ILE A 28 2.460 3.412 -4.377 1.00 0.00 O ATOM 384 CB ILE A 28 2.548 3.673 -7.524 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.947 3.521 -8.923 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.066 3.597 -7.582 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.246 2.185 -9.567 1.00 0.00 C ATOM 0 H ILE A 28 0.297 3.695 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 28 2.119 1.612 -7.052 1.00 0.00 H new ATOM 0 HB ILE A 28 2.268 4.651 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.867 3.652 -8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.329 4.317 -9.562 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.444 4.370 -8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.476 3.749 -6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.367 2.617 -7.953 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.789 2.147 -10.556 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.325 2.059 -9.660 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.840 1.384 -8.949 1.00 0.00 H new ATOM 399 N ALA A 29 3.778 1.767 -5.163 1.00 0.00 N ATOM 400 CA ALA A 29 4.601 1.702 -3.962 1.00 0.00 C ATOM 401 C ALA A 29 6.020 1.253 -4.292 1.00 0.00 C ATOM 402 O ALA A 29 6.235 0.136 -4.764 1.00 0.00 O ATOM 403 CB ALA A 29 3.973 0.765 -2.941 1.00 0.00 C ATOM 0 H ALA A 29 4.046 1.108 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 29 4.655 2.703 -3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.599 0.726 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.982 1.131 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.888 -0.234 -3.368 1.00 0.00 H new ATOM 409 N LYS A 30 6.987 2.130 -4.042 1.00 0.00 N ATOM 410 CA LYS A 30 8.386 1.824 -4.312 1.00 0.00 C ATOM 411 C LYS A 30 9.160 1.623 -3.012 1.00 0.00 C ATOM 412 O LYS A 30 8.850 2.239 -1.992 1.00 0.00 O ATOM 413 CB LYS A 30 9.027 2.947 -5.131 1.00 0.00 C ATOM 414 CG LYS A 30 8.925 2.738 -6.632 1.00 0.00 C ATOM 415 CD LYS A 30 8.835 4.061 -7.374 1.00 0.00 C ATOM 416 CE LYS A 30 7.391 4.511 -7.537 1.00 0.00 C ATOM 417 NZ LYS A 30 7.205 5.349 -8.754 1.00 0.00 N ATOM 0 H LYS A 30 6.826 3.059 -3.652 1.00 0.00 H new ATOM 0 HA LYS A 30 8.425 0.897 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.551 3.892 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.078 3.033 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.794 2.181 -6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.047 2.133 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.396 4.822 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.299 3.962 -8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.743 3.637 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.085 5.076 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.208 5.635 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.804 6.196 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.472 4.801 -9.597 1.00 0.00 H new ATOM 431 N VAL A 31 10.170 0.760 -3.057 1.00 0.00 N ATOM 432 CA VAL A 31 10.989 0.481 -1.884 1.00 0.00 C ATOM 433 C VAL A 31 12.466 0.397 -2.253 1.00 0.00 C ATOM 434 O VAL A 31 12.844 -0.301 -3.193 1.00 0.00 O ATOM 435 CB VAL A 31 10.566 -0.835 -1.204 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.278 -0.998 0.131 1.00 0.00 C ATOM 437 CG2 VAL A 31 9.057 -0.878 -1.021 1.00 0.00 C ATOM 0 H VAL A 31 10.440 0.242 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 31 10.837 1.306 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 31 10.855 -1.666 -1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.967 -1.933 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.356 -1.014 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.022 -0.164 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.775 -1.814 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.742 -0.041 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.570 -0.810 -1.994 1.00 0.00 H new ATOM 447 N LYS A 32 13.298 1.115 -1.505 1.00 0.00 N ATOM 448 CA LYS A 32 14.736 1.121 -1.751 1.00 0.00 C ATOM 449 C LYS A 32 15.380 -0.167 -1.248 1.00 0.00 C ATOM 450 O LYS A 32 15.177 -0.567 -0.103 1.00 0.00 O ATOM 451 CB LYS A 32 15.385 2.328 -1.070 1.00 0.00 C ATOM 452 CG LYS A 32 16.773 2.650 -1.596 1.00 0.00 C ATOM 453 CD LYS A 32 16.710 3.525 -2.837 1.00 0.00 C ATOM 454 CE LYS A 32 17.883 3.257 -3.767 1.00 0.00 C ATOM 455 NZ LYS A 32 19.096 4.022 -3.365 1.00 0.00 N ATOM 0 H LYS A 32 13.001 1.700 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 32 14.895 1.189 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.744 3.199 -1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.446 2.140 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.348 3.157 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.299 1.724 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.775 3.341 -3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.709 4.575 -2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.110 2.191 -3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.606 3.525 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.873 3.812 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.888 5.041 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.375 3.748 -2.401 1.00 0.00 H new ATOM 469 N ALA A 33 16.158 -0.810 -2.113 1.00 0.00 N ATOM 470 CA ALA A 33 16.834 -2.051 -1.754 1.00 0.00 C ATOM 471 C ALA A 33 18.308 -2.005 -2.144 1.00 0.00 C ATOM 472 O ALA A 33 18.725 -1.154 -2.930 1.00 0.00 O ATOM 473 CB ALA A 33 16.148 -3.236 -2.416 1.00 0.00 C ATOM 0 H ALA A 33 16.336 -0.493 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 33 16.774 -2.169 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.663 -4.156 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.111 -3.287 -2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.178 -3.115 -3.499 1.00 0.00 H new ATOM 479 N GLU A 34 19.091 -2.925 -1.590 1.00 0.00 N ATOM 480 CA GLU A 34 20.519 -2.987 -1.880 1.00 0.00 C ATOM 481 C GLU A 34 20.906 -4.363 -2.415 1.00 0.00 C ATOM 482 O GLU A 34 21.678 -4.475 -3.367 1.00 0.00 O ATOM 483 CB GLU A 34 21.331 -2.669 -0.623 1.00 0.00 C ATOM 484 CG GLU A 34 20.955 -1.348 0.027 1.00 0.00 C ATOM 485 CD GLU A 34 21.691 -1.109 1.332 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.987 -2.097 2.036 1.00 0.00 O ATOM 487 OE2 GLU A 34 21.970 0.066 1.647 1.00 0.00 O ATOM 0 H GLU A 34 18.761 -3.637 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 34 20.741 -2.243 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.194 -3.472 0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.390 -2.649 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.173 -0.533 -0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.881 -1.331 0.212 1.00 0.00 H new ATOM 494 N ASP A 35 20.365 -5.405 -1.795 1.00 0.00 N ATOM 495 CA ASP A 35 20.652 -6.774 -2.208 1.00 0.00 C ATOM 496 C ASP A 35 19.634 -7.257 -3.236 1.00 0.00 C ATOM 497 O ASP A 35 18.432 -7.037 -3.086 1.00 0.00 O ATOM 498 CB ASP A 35 20.652 -7.706 -0.995 1.00 0.00 C ATOM 499 CG ASP A 35 21.692 -7.315 0.036 1.00 0.00 C ATOM 500 OD1 ASP A 35 21.800 -6.109 0.341 1.00 0.00 O ATOM 501 OD2 ASP A 35 22.398 -8.215 0.538 1.00 0.00 O ATOM 0 H ASP A 35 19.725 -5.328 -1.004 1.00 0.00 H new ATOM 0 HA ASP A 35 21.640 -6.789 -2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 35 19.665 -7.696 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.839 -8.728 -1.326 1.00 0.00 H new ATOM 506 N LEU A 36 20.123 -7.914 -4.282 1.00 0.00 N ATOM 507 CA LEU A 36 19.256 -8.428 -5.337 1.00 0.00 C ATOM 508 C LEU A 36 18.600 -9.738 -4.913 1.00 0.00 C ATOM 509 O LEU A 36 17.408 -9.950 -5.142 1.00 0.00 O ATOM 510 CB LEU A 36 20.056 -8.638 -6.624 1.00 0.00 C ATOM 511 CG LEU A 36 21.029 -7.520 -7.000 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.841 -7.909 -8.225 1.00 0.00 C ATOM 513 CD2 LEU A 36 20.278 -6.220 -7.246 1.00 0.00 C ATOM 0 H LEU A 36 21.115 -8.103 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 36 18.472 -7.693 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.619 -9.566 -6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.354 -8.773 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 36 21.716 -7.367 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 36 22.528 -7.101 -8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.409 -8.815 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 36 21.169 -8.090 -9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.986 -5.435 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.567 -6.359 -8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.742 -5.933 -6.342 1.00 0.00 H new ATOM 525 N LEU A 37 19.383 -10.612 -4.291 1.00 0.00 N ATOM 526 CA LEU A 37 18.878 -11.901 -3.832 1.00 0.00 C ATOM 527 C LEU A 37 17.690 -11.717 -2.893 1.00 0.00 C ATOM 528 O LEU A 37 16.592 -12.204 -3.163 1.00 0.00 O ATOM 529 CB LEU A 37 19.986 -12.683 -3.124 1.00 0.00 C ATOM 530 CG LEU A 37 21.235 -12.979 -3.955 1.00 0.00 C ATOM 531 CD1 LEU A 37 22.414 -13.301 -3.051 1.00 0.00 C ATOM 532 CD2 LEU A 37 20.973 -14.125 -4.922 1.00 0.00 C ATOM 0 H LEU A 37 20.371 -10.452 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 37 18.545 -12.464 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.288 -12.125 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.571 -13.630 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 37 21.481 -12.090 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.294 -13.509 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.616 -12.450 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.179 -14.175 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 37 21.873 -14.322 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.701 -15.019 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.157 -13.856 -5.593 1.00 0.00 H new ATOM 544 N ARG A 38 17.917 -11.010 -1.791 1.00 0.00 N ATOM 545 CA ARG A 38 16.865 -10.760 -0.813 1.00 0.00 C ATOM 546 C ARG A 38 15.743 -9.925 -1.422 1.00 0.00 C ATOM 547 O ARG A 38 15.992 -8.911 -2.075 1.00 0.00 O ATOM 548 CB ARG A 38 17.438 -10.047 0.413 1.00 0.00 C ATOM 549 CG ARG A 38 18.682 -10.712 0.978 1.00 0.00 C ATOM 550 CD ARG A 38 18.396 -12.135 1.433 1.00 0.00 C ATOM 551 NE ARG A 38 19.614 -12.844 1.814 1.00 0.00 N ATOM 552 CZ ARG A 38 19.624 -13.929 2.580 1.00 0.00 C ATOM 553 NH1 ARG A 38 18.486 -14.428 3.044 1.00 0.00 N ATOM 554 NH2 ARG A 38 20.774 -14.519 2.883 1.00 0.00 N ATOM 0 H ARG A 38 18.820 -10.600 -1.553 1.00 0.00 H new ATOM 0 HA ARG A 38 16.453 -11.722 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.676 -9.017 0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.674 -10.006 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.466 -10.722 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.058 -10.129 1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.709 -12.114 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.896 -12.678 0.631 1.00 0.00 H new ATOM 0 HE ARG A 38 20.506 -12.486 1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.600 -13.978 2.813 1.00 0.00 H new ATOM 0 HH12 ARG A 38 18.497 -15.261 3.632 1.00 0.00 H new ATOM 0 HH21 ARG A 38 21.651 -14.139 2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 38 20.780 -15.352 3.471 1.00 0.00 H new ATOM 568 N LYS A 39 14.506 -10.359 -1.206 1.00 0.00 N ATOM 569 CA LYS A 39 13.344 -9.652 -1.732 1.00 0.00 C ATOM 570 C LYS A 39 12.309 -9.414 -0.636 1.00 0.00 C ATOM 571 O LYS A 39 11.784 -10.350 -0.032 1.00 0.00 O ATOM 572 CB LYS A 39 12.715 -10.446 -2.879 1.00 0.00 C ATOM 573 CG LYS A 39 11.589 -9.709 -3.583 1.00 0.00 C ATOM 574 CD LYS A 39 11.476 -10.124 -5.040 1.00 0.00 C ATOM 575 CE LYS A 39 10.922 -11.534 -5.177 1.00 0.00 C ATOM 576 NZ LYS A 39 11.045 -12.046 -6.570 1.00 0.00 N ATOM 0 H LYS A 39 14.282 -11.197 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 39 13.678 -8.685 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.488 -10.691 -3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.333 -11.390 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.647 -9.909 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.762 -8.635 -3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.829 -9.425 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.457 -10.070 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.453 -12.200 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.874 -11.543 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.656 -13.009 -6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.517 -11.425 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.047 -12.062 -6.847 1.00 0.00 H new ATOM 590 N PRO A 40 12.007 -8.134 -0.374 1.00 0.00 N ATOM 591 CA PRO A 40 11.031 -7.745 0.648 1.00 0.00 C ATOM 592 C PRO A 40 9.603 -8.103 0.253 1.00 0.00 C ATOM 593 O PRO A 40 9.319 -8.372 -0.915 1.00 0.00 O ATOM 594 CB PRO A 40 11.197 -6.225 0.736 1.00 0.00 C ATOM 595 CG PRO A 40 11.732 -5.825 -0.596 1.00 0.00 C ATOM 596 CD PRO A 40 12.594 -6.968 -1.056 1.00 0.00 C ATOM 0 HA PRO A 40 11.202 -8.262 1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.246 -5.734 0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.882 -5.947 1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.923 -5.638 -1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.311 -4.904 -0.524 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.567 -7.081 -2.140 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.637 -6.822 -0.777 1.00 0.00 H new ATOM 604 N THR A 41 8.705 -8.105 1.233 1.00 0.00 N ATOM 605 CA THR A 41 7.306 -8.432 0.988 1.00 0.00 C ATOM 606 C THR A 41 6.387 -7.324 1.490 1.00 0.00 C ATOM 607 O THR A 41 6.547 -6.832 2.608 1.00 0.00 O ATOM 608 CB THR A 41 6.911 -9.758 1.664 1.00 0.00 C ATOM 609 OG1 THR A 41 7.765 -10.813 1.209 1.00 0.00 O ATOM 610 CG2 THR A 41 5.461 -10.107 1.365 1.00 0.00 C ATOM 0 H THR A 41 8.922 -7.884 2.205 1.00 0.00 H new ATOM 0 HA THR A 41 7.190 -8.536 -0.091 1.00 0.00 H new ATOM 0 HB THR A 41 7.024 -9.639 2.742 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.508 -11.652 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.205 -11.047 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.812 -9.316 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.326 -10.208 0.288 1.00 0.00 H new ATOM 618 N ILE A 42 5.424 -6.938 0.660 1.00 0.00 N ATOM 619 CA ILE A 42 4.479 -5.890 1.022 1.00 0.00 C ATOM 620 C ILE A 42 3.096 -6.469 1.302 1.00 0.00 C ATOM 621 O ILE A 42 2.552 -7.225 0.496 1.00 0.00 O ATOM 622 CB ILE A 42 4.363 -4.828 -0.088 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.438 -3.693 0.357 1.00 0.00 C ATOM 624 CG2 ILE A 42 3.853 -5.460 -1.374 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.676 -2.395 -0.383 1.00 0.00 C ATOM 0 H ILE A 42 5.278 -7.336 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 42 4.863 -5.418 1.927 1.00 0.00 H new ATOM 0 HB ILE A 42 5.353 -4.412 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.403 -4.001 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.573 -3.523 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.776 -4.697 -2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.546 -6.237 -1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.871 -5.899 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.986 -1.635 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.701 -2.064 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.513 -2.549 -1.450 1.00 0.00 H new ATOM 637 N LYS A 43 2.531 -6.110 2.449 1.00 0.00 N ATOM 638 CA LYS A 43 1.210 -6.591 2.836 1.00 0.00 C ATOM 639 C LYS A 43 0.231 -5.431 2.985 1.00 0.00 C ATOM 640 O LYS A 43 0.450 -4.521 3.785 1.00 0.00 O ATOM 641 CB LYS A 43 1.293 -7.373 4.148 1.00 0.00 C ATOM 642 CG LYS A 43 0.058 -8.208 4.438 1.00 0.00 C ATOM 643 CD LYS A 43 0.170 -9.598 3.836 1.00 0.00 C ATOM 644 CE LYS A 43 1.041 -10.507 4.689 1.00 0.00 C ATOM 645 NZ LYS A 43 1.571 -11.660 3.909 1.00 0.00 N ATOM 0 H LYS A 43 2.968 -5.487 3.128 1.00 0.00 H new ATOM 0 HA LYS A 43 0.847 -7.252 2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.164 -8.027 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.449 -6.673 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.083 -8.288 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.823 -7.707 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.824 -10.034 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.589 -9.528 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.872 -9.933 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.461 -10.877 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.160 -12.255 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.778 -12.222 3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.146 -11.308 3.117 1.00 0.00 H new ATOM 659 N TRP A 44 -0.848 -5.470 2.212 1.00 0.00 N ATOM 660 CA TRP A 44 -1.862 -4.422 2.260 1.00 0.00 C ATOM 661 C TRP A 44 -2.980 -4.791 3.228 1.00 0.00 C ATOM 662 O TRP A 44 -3.542 -5.884 3.155 1.00 0.00 O ATOM 663 CB TRP A 44 -2.438 -4.177 0.864 1.00 0.00 C ATOM 664 CG TRP A 44 -1.387 -3.993 -0.188 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.581 -4.959 -0.720 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.027 -2.767 -0.835 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.258 -4.408 -1.658 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.003 -3.065 -1.748 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.477 -1.448 -0.733 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.590 -2.090 -2.551 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.893 -0.482 -1.530 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.131 -0.807 -2.430 1.00 0.00 C ATOM 0 H TRP A 44 -1.044 -6.216 1.544 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.387 -3.507 2.615 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.074 -5.018 0.589 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.074 -3.292 0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.600 -6.003 -0.444 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.957 -4.916 -2.199 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.267 -1.188 -0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.380 -2.338 -3.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.231 0.541 -1.458 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.566 -0.029 -3.040 1.00 0.00 H new ATOM 683 N PHE A 45 -3.300 -3.872 4.134 1.00 0.00 N ATOM 684 CA PHE A 45 -4.352 -4.102 5.117 1.00 0.00 C ATOM 685 C PHE A 45 -5.440 -3.038 5.008 1.00 0.00 C ATOM 686 O PHE A 45 -5.191 -1.923 4.550 1.00 0.00 O ATOM 687 CB PHE A 45 -3.766 -4.105 6.531 1.00 0.00 C ATOM 688 CG PHE A 45 -3.063 -5.384 6.886 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.778 -6.479 7.342 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.687 -5.490 6.763 1.00 0.00 C ATOM 691 CE1 PHE A 45 -3.134 -7.658 7.669 1.00 0.00 C ATOM 692 CE2 PHE A 45 -1.038 -6.666 7.089 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.762 -7.751 7.543 1.00 0.00 C ATOM 0 H PHE A 45 -2.846 -2.962 4.207 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.798 -5.075 4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.065 -3.276 6.627 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.568 -3.929 7.248 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.851 -6.411 7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.116 -4.645 6.409 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.703 -8.505 8.022 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.035 -6.736 6.989 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.256 -8.670 7.799 1.00 0.00 H new ATOM 703 N LYS A 46 -6.649 -3.391 5.431 1.00 0.00 N ATOM 704 CA LYS A 46 -7.777 -2.469 5.383 1.00 0.00 C ATOM 705 C LYS A 46 -8.430 -2.335 6.755 1.00 0.00 C ATOM 706 O LYS A 46 -8.458 -3.285 7.535 1.00 0.00 O ATOM 707 CB LYS A 46 -8.810 -2.947 4.359 1.00 0.00 C ATOM 708 CG LYS A 46 -10.029 -2.047 4.260 1.00 0.00 C ATOM 709 CD LYS A 46 -9.652 -0.643 3.819 1.00 0.00 C ATOM 710 CE LYS A 46 -10.836 0.307 3.911 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.185 0.624 5.324 1.00 0.00 N ATOM 0 H LYS A 46 -6.873 -4.311 5.811 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.402 -1.491 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.336 -3.011 3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.133 -3.954 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.740 -2.473 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.529 -2.003 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.837 -0.272 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.284 -0.669 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.604 1.229 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.698 -0.139 3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.047 1.205 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.349 -0.259 5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.403 1.148 5.766 1.00 0.00 H new ATOM 725 N GLY A 47 -8.956 -1.148 7.042 1.00 0.00 N ATOM 726 CA GLY A 47 -9.602 -0.912 8.319 1.00 0.00 C ATOM 727 C GLY A 47 -8.663 -1.116 9.491 1.00 0.00 C ATOM 728 O GLY A 47 -7.542 -0.606 9.495 1.00 0.00 O ATOM 0 H GLY A 47 -8.946 -0.346 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.992 0.106 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.455 -1.583 8.420 1.00 0.00 H new ATOM 732 N LYS A 48 -9.119 -1.864 10.490 1.00 0.00 N ATOM 733 CA LYS A 48 -8.313 -2.135 11.674 1.00 0.00 C ATOM 734 C LYS A 48 -7.760 -3.556 11.642 1.00 0.00 C ATOM 735 O LYS A 48 -6.570 -3.774 11.871 1.00 0.00 O ATOM 736 CB LYS A 48 -9.146 -1.930 12.942 1.00 0.00 C ATOM 737 CG LYS A 48 -8.343 -2.062 14.224 1.00 0.00 C ATOM 738 CD LYS A 48 -9.089 -1.475 15.411 1.00 0.00 C ATOM 739 CE LYS A 48 -8.129 -0.946 16.467 1.00 0.00 C ATOM 740 NZ LYS A 48 -7.331 -2.040 17.088 1.00 0.00 N ATOM 0 H LYS A 48 -10.044 -2.294 10.503 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.476 -1.437 11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.604 -0.941 12.910 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.958 -2.657 12.955 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.127 -3.114 14.413 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.385 -1.555 14.108 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.738 -0.668 15.071 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.732 -2.237 15.851 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.456 -0.218 16.014 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.692 -0.423 17.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.168 -1.824 18.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.850 -2.938 17.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.417 -2.123 16.599 1.00 0.00 H new ATOM 754 N TRP A 49 -8.629 -4.518 11.355 1.00 0.00 N ATOM 755 CA TRP A 49 -8.226 -5.919 11.291 1.00 0.00 C ATOM 756 C TRP A 49 -8.398 -6.471 9.881 1.00 0.00 C ATOM 757 O TRP A 49 -7.650 -7.349 9.452 1.00 0.00 O ATOM 758 CB TRP A 49 -9.041 -6.751 12.282 1.00 0.00 C ATOM 759 CG TRP A 49 -9.240 -6.074 13.604 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.098 -5.047 13.878 1.00 0.00 C ATOM 761 CD2 TRP A 49 -8.567 -6.375 14.831 1.00 0.00 C ATOM 762 NE1 TRP A 49 -9.998 -4.692 15.202 1.00 0.00 N ATOM 763 CE2 TRP A 49 -9.066 -5.492 15.808 1.00 0.00 C ATOM 764 CE3 TRP A 49 -7.592 -7.306 15.200 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -8.622 -5.513 17.127 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -7.152 -7.326 16.510 1.00 0.00 C ATOM 767 CH2 TRP A 49 -7.667 -6.435 17.461 1.00 0.00 C ATOM 0 H TRP A 49 -9.617 -4.354 11.163 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.171 -5.981 11.558 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.015 -6.972 11.845 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.540 -7.705 12.443 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -10.758 -4.582 13.160 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.531 -3.953 15.659 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.190 -7.997 14.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.017 -4.826 17.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.398 -8.041 16.806 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.303 -6.477 18.477 1.00 0.00 H new ATOM 778 N MET A 50 -9.389 -5.952 9.163 1.00 0.00 N ATOM 779 CA MET A 50 -9.658 -6.393 7.800 1.00 0.00 C ATOM 780 C MET A 50 -8.361 -6.551 7.014 1.00 0.00 C ATOM 781 O MET A 50 -7.569 -5.613 6.910 1.00 0.00 O ATOM 782 CB MET A 50 -10.580 -5.399 7.091 1.00 0.00 C ATOM 783 CG MET A 50 -11.471 -6.039 6.039 1.00 0.00 C ATOM 784 SD MET A 50 -12.276 -4.824 4.978 1.00 0.00 S ATOM 785 CE MET A 50 -11.391 -5.077 3.441 1.00 0.00 C ATOM 0 H MET A 50 -10.019 -5.225 9.503 1.00 0.00 H new ATOM 0 HA MET A 50 -10.152 -7.363 7.850 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.206 -4.904 7.833 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.973 -4.626 6.620 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.874 -6.713 5.425 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.231 -6.645 6.532 1.00 0.00 H new ATOM 0 HE1 MET A 50 -11.416 -4.160 2.852 1.00 0.00 H new ATOM 0 HE2 MET A 50 -10.356 -5.342 3.657 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.862 -5.883 2.878 1.00 0.00 H new ATOM 795 N ASP A 51 -8.149 -7.740 6.462 1.00 0.00 N ATOM 796 CA ASP A 51 -6.948 -8.020 5.684 1.00 0.00 C ATOM 797 C ASP A 51 -7.268 -8.085 4.194 1.00 0.00 C ATOM 798 O ASP A 51 -8.268 -8.679 3.789 1.00 0.00 O ATOM 799 CB ASP A 51 -6.314 -9.335 6.140 1.00 0.00 C ATOM 800 CG ASP A 51 -5.268 -9.842 5.167 1.00 0.00 C ATOM 801 OD1 ASP A 51 -4.413 -9.037 4.741 1.00 0.00 O ATOM 802 OD2 ASP A 51 -5.304 -11.044 4.831 1.00 0.00 O ATOM 0 H ASP A 51 -8.794 -8.526 6.539 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.240 -7.208 5.850 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.857 -9.194 7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.093 -10.089 6.257 1.00 0.00 H new ATOM 807 N LEU A 52 -6.414 -7.470 3.384 1.00 0.00 N ATOM 808 CA LEU A 52 -6.606 -7.457 1.938 1.00 0.00 C ATOM 809 C LEU A 52 -5.922 -8.655 1.287 1.00 0.00 C ATOM 810 O LEU A 52 -6.465 -9.269 0.369 1.00 0.00 O ATOM 811 CB LEU A 52 -6.060 -6.158 1.343 1.00 0.00 C ATOM 812 CG LEU A 52 -6.656 -4.863 1.896 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.040 -3.655 1.208 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.169 -4.860 1.731 1.00 0.00 C ATOM 0 H LEU A 52 -5.582 -6.974 3.704 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.676 -7.520 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.982 -6.135 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.224 -6.179 0.266 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.426 -4.805 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.477 -2.743 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.963 -3.649 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.238 -3.706 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.577 -3.931 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.420 -4.942 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.596 -5.705 2.271 1.00 0.00 H new ATOM 826 N ALA A 53 -4.728 -8.982 1.769 1.00 0.00 N ATOM 827 CA ALA A 53 -3.972 -10.109 1.238 1.00 0.00 C ATOM 828 C ALA A 53 -4.875 -11.316 1.005 1.00 0.00 C ATOM 829 O ALA A 53 -4.651 -12.103 0.086 1.00 0.00 O ATOM 830 CB ALA A 53 -2.834 -10.473 2.180 1.00 0.00 C ATOM 0 H ALA A 53 -4.263 -8.482 2.527 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.552 -9.811 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.278 -11.316 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.167 -9.618 2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.241 -10.745 3.154 1.00 0.00 H new ATOM 836 N SER A 54 -5.896 -11.455 1.845 1.00 0.00 N ATOM 837 CA SER A 54 -6.830 -12.569 1.734 1.00 0.00 C ATOM 838 C SER A 54 -7.911 -12.270 0.699 1.00 0.00 C ATOM 839 O SER A 54 -8.415 -13.173 0.031 1.00 0.00 O ATOM 840 CB SER A 54 -7.474 -12.860 3.091 1.00 0.00 C ATOM 841 OG SER A 54 -8.271 -14.030 3.037 1.00 0.00 O ATOM 0 H SER A 54 -6.097 -10.810 2.609 1.00 0.00 H new ATOM 0 HA SER A 54 -6.272 -13.447 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.698 -12.979 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.088 -12.012 3.395 1.00 0.00 H new ATOM 0 HG SER A 54 -8.670 -14.195 3.917 1.00 0.00 H new ATOM 847 N LYS A 55 -8.262 -10.995 0.571 1.00 0.00 N ATOM 848 CA LYS A 55 -9.282 -10.574 -0.382 1.00 0.00 C ATOM 849 C LYS A 55 -8.767 -10.686 -1.814 1.00 0.00 C ATOM 850 O LYS A 55 -9.542 -10.899 -2.746 1.00 0.00 O ATOM 851 CB LYS A 55 -9.713 -9.133 -0.096 1.00 0.00 C ATOM 852 CG LYS A 55 -10.140 -8.901 1.343 1.00 0.00 C ATOM 853 CD LYS A 55 -11.543 -9.425 1.600 1.00 0.00 C ATOM 854 CE LYS A 55 -12.053 -9.003 2.969 1.00 0.00 C ATOM 855 NZ LYS A 55 -13.041 -9.974 3.517 1.00 0.00 N ATOM 0 H LYS A 55 -7.855 -10.235 1.116 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.143 -11.234 -0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.888 -8.462 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.538 -8.871 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.438 -9.394 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.102 -7.835 1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.218 -9.054 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.545 -10.513 1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.213 -8.912 3.657 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.514 -8.018 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.364 -9.650 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.855 -10.042 2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.594 -10.909 3.610 1.00 0.00 H new ATOM 869 N ALA A 56 -7.457 -10.543 -1.980 1.00 0.00 N ATOM 870 CA ALA A 56 -6.839 -10.633 -3.297 1.00 0.00 C ATOM 871 C ALA A 56 -7.206 -11.942 -3.988 1.00 0.00 C ATOM 872 O ALA A 56 -6.767 -13.015 -3.578 1.00 0.00 O ATOM 873 CB ALA A 56 -5.328 -10.500 -3.182 1.00 0.00 C ATOM 0 H ALA A 56 -6.802 -10.364 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.219 -9.813 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.880 -10.569 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.080 -9.536 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.939 -11.300 -2.552 1.00 0.00 H new ATOM 879 N GLY A 57 -8.015 -11.845 -5.039 1.00 0.00 N ATOM 880 CA GLY A 57 -8.428 -13.030 -5.768 1.00 0.00 C ATOM 881 C GLY A 57 -9.181 -12.694 -7.040 1.00 0.00 C ATOM 882 O GLY A 57 -8.651 -12.837 -8.142 1.00 0.00 O ATOM 0 H GLY A 57 -8.391 -10.968 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.549 -13.625 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.059 -13.646 -5.127 1.00 0.00 H new ATOM 886 N LYS A 58 -10.424 -12.248 -6.889 1.00 0.00 N ATOM 887 CA LYS A 58 -11.253 -11.891 -8.034 1.00 0.00 C ATOM 888 C LYS A 58 -11.620 -10.411 -8.000 1.00 0.00 C ATOM 889 O LYS A 58 -11.652 -9.745 -9.035 1.00 0.00 O ATOM 890 CB LYS A 58 -12.525 -12.742 -8.053 1.00 0.00 C ATOM 891 CG LYS A 58 -13.703 -12.092 -7.347 1.00 0.00 C ATOM 892 CD LYS A 58 -14.994 -12.851 -7.602 1.00 0.00 C ATOM 893 CE LYS A 58 -15.241 -13.906 -6.535 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.445 -14.729 -6.836 1.00 0.00 N ATOM 0 H LYS A 58 -10.879 -12.125 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.679 -12.084 -8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.800 -12.946 -9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.316 -13.703 -7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.509 -12.052 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.811 -11.063 -7.690 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.830 -12.152 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.950 -13.326 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.368 -14.554 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.366 -13.421 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.579 -15.436 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.282 -14.114 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.316 -15.212 -7.748 1.00 0.00 H new ATOM 908 N HIS A 59 -11.894 -9.901 -6.803 1.00 0.00 N ATOM 909 CA HIS A 59 -12.257 -8.498 -6.634 1.00 0.00 C ATOM 910 C HIS A 59 -11.022 -7.649 -6.348 1.00 0.00 C ATOM 911 O HIS A 59 -11.059 -6.423 -6.459 1.00 0.00 O ATOM 912 CB HIS A 59 -13.270 -8.344 -5.499 1.00 0.00 C ATOM 913 CG HIS A 59 -14.694 -8.466 -5.947 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.479 -7.377 -6.264 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.473 -9.557 -6.133 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.680 -7.793 -6.623 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.703 -9.112 -6.552 1.00 0.00 N ATOM 0 H HIS A 59 -11.872 -10.438 -5.936 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.709 -8.150 -7.563 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.070 -9.100 -4.740 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.128 -7.372 -5.026 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.182 -10.586 -5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.503 -7.162 -6.924 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.504 -9.704 -6.773 1.00 0.00 H new ATOM 926 N LEU A 60 -9.929 -8.308 -5.980 1.00 0.00 N ATOM 927 CA LEU A 60 -8.682 -7.614 -5.677 1.00 0.00 C ATOM 928 C LEU A 60 -7.484 -8.380 -6.229 1.00 0.00 C ATOM 929 O LEU A 60 -7.479 -9.611 -6.249 1.00 0.00 O ATOM 930 CB LEU A 60 -8.532 -7.429 -4.166 1.00 0.00 C ATOM 931 CG LEU A 60 -7.223 -6.794 -3.694 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.370 -5.284 -3.588 1.00 0.00 C ATOM 933 CD2 LEU A 60 -6.795 -7.386 -2.360 1.00 0.00 C ATOM 0 H LEU A 60 -9.881 -9.322 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.715 -6.635 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.359 -6.814 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.632 -8.404 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.449 -7.011 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.429 -4.850 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.630 -4.874 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.157 -5.044 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.862 -6.923 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.568 -7.200 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.648 -8.461 -2.469 1.00 0.00 H new ATOM 945 N GLN A 61 -6.470 -7.644 -6.673 1.00 0.00 N ATOM 946 CA GLN A 61 -5.266 -8.256 -7.223 1.00 0.00 C ATOM 947 C GLN A 61 -4.042 -7.388 -6.949 1.00 0.00 C ATOM 948 O GLN A 61 -3.999 -6.218 -7.332 1.00 0.00 O ATOM 949 CB GLN A 61 -5.423 -8.477 -8.728 1.00 0.00 C ATOM 950 CG GLN A 61 -6.432 -9.558 -9.082 1.00 0.00 C ATOM 951 CD GLN A 61 -5.866 -10.956 -8.933 1.00 0.00 C ATOM 952 OE1 GLN A 61 -4.950 -11.348 -9.657 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.410 -11.718 -7.992 1.00 0.00 N ATOM 0 H GLN A 61 -6.458 -6.624 -6.663 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.122 -9.220 -6.735 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.728 -7.540 -9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.454 -8.743 -9.151 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.309 -9.455 -8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.768 -9.414 -10.109 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.167 -11.353 -7.415 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.071 -12.669 -7.846 1.00 0.00 H new ATOM 962 N LEU A 62 -3.049 -7.969 -6.285 1.00 0.00 N ATOM 963 CA LEU A 62 -1.822 -7.249 -5.959 1.00 0.00 C ATOM 964 C LEU A 62 -0.744 -7.508 -7.007 1.00 0.00 C ATOM 965 O LEU A 62 -0.741 -8.548 -7.666 1.00 0.00 O ATOM 966 CB LEU A 62 -1.316 -7.663 -4.577 1.00 0.00 C ATOM 967 CG LEU A 62 -2.380 -7.813 -3.489 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.791 -8.474 -2.253 1.00 0.00 C ATOM 969 CD2 LEU A 62 -2.978 -6.458 -3.138 1.00 0.00 C ATOM 0 H LEU A 62 -3.069 -8.936 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.047 -6.182 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.789 -8.612 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.586 -6.926 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.176 -8.451 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.563 -8.572 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.412 -9.462 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.975 -7.863 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.733 -6.584 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.192 -5.796 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.438 -6.022 -4.025 1.00 0.00 H new ATOM 981 N LYS A 63 0.171 -6.556 -7.154 1.00 0.00 N ATOM 982 CA LYS A 63 1.257 -6.681 -8.119 1.00 0.00 C ATOM 983 C LYS A 63 2.601 -6.365 -7.470 1.00 0.00 C ATOM 984 O LYS A 63 2.675 -5.571 -6.532 1.00 0.00 O ATOM 985 CB LYS A 63 1.021 -5.747 -9.308 1.00 0.00 C ATOM 986 CG LYS A 63 1.548 -6.292 -10.624 1.00 0.00 C ATOM 987 CD LYS A 63 1.057 -5.471 -11.804 1.00 0.00 C ATOM 988 CE LYS A 63 1.807 -4.153 -11.917 1.00 0.00 C ATOM 989 NZ LYS A 63 3.238 -4.357 -12.271 1.00 0.00 N ATOM 0 H LYS A 63 0.182 -5.689 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 63 1.278 -7.712 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.048 -5.559 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.497 -4.787 -9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.638 -6.292 -10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.231 -7.328 -10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.183 -6.042 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.010 -5.276 -11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.331 -3.528 -12.673 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.740 -3.615 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.632 -3.472 -12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.769 -4.637 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.315 -5.105 -12.990 1.00 0.00 H new ATOM 1003 N GLU A 64 3.659 -6.991 -7.975 1.00 0.00 N ATOM 1004 CA GLU A 64 4.999 -6.775 -7.443 1.00 0.00 C ATOM 1005 C GLU A 64 6.053 -6.957 -8.532 1.00 0.00 C ATOM 1006 O GLU A 64 6.010 -7.919 -9.300 1.00 0.00 O ATOM 1007 CB GLU A 64 5.274 -7.738 -6.286 1.00 0.00 C ATOM 1008 CG GLU A 64 6.753 -7.999 -6.050 1.00 0.00 C ATOM 1009 CD GLU A 64 7.272 -9.179 -6.848 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.499 -10.136 -7.064 1.00 0.00 O ATOM 1011 OE2 GLU A 64 8.451 -9.146 -7.256 1.00 0.00 O ATOM 0 H GLU A 64 3.614 -7.651 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 64 5.055 -5.751 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.835 -7.332 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.774 -8.686 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.322 -7.108 -6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.921 -8.181 -4.989 1.00 0.00 H new ATOM 1018 N THR A 65 6.999 -6.025 -8.594 1.00 0.00 N ATOM 1019 CA THR A 65 8.063 -6.081 -9.589 1.00 0.00 C ATOM 1020 C THR A 65 9.384 -5.591 -9.009 1.00 0.00 C ATOM 1021 O THR A 65 9.405 -4.801 -8.065 1.00 0.00 O ATOM 1022 CB THR A 65 7.716 -5.237 -10.830 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.639 -5.518 -11.887 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.750 -3.752 -10.501 1.00 0.00 C ATOM 0 H THR A 65 7.050 -5.222 -7.967 1.00 0.00 H new ATOM 0 HA THR A 65 8.164 -7.125 -9.885 1.00 0.00 H new ATOM 0 HB THR A 65 6.708 -5.499 -11.150 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.411 -4.979 -12.673 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.502 -3.176 -11.392 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.025 -3.537 -9.716 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.748 -3.478 -10.158 1.00 0.00 H new ATOM 1032 N PHE A 66 10.487 -6.065 -9.579 1.00 0.00 N ATOM 1033 CA PHE A 66 11.815 -5.675 -9.118 1.00 0.00 C ATOM 1034 C PHE A 66 12.599 -4.992 -10.234 1.00 0.00 C ATOM 1035 O PHE A 66 12.434 -5.314 -11.410 1.00 0.00 O ATOM 1036 CB PHE A 66 12.583 -6.899 -8.614 1.00 0.00 C ATOM 1037 CG PHE A 66 14.026 -6.617 -8.309 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.377 -5.798 -7.248 1.00 0.00 C ATOM 1039 CD2 PHE A 66 15.032 -7.171 -9.085 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.704 -5.537 -6.964 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.361 -6.913 -8.806 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.698 -6.095 -7.745 1.00 0.00 C ATOM 0 H PHE A 66 10.488 -6.720 -10.361 1.00 0.00 H new ATOM 0 HA PHE A 66 11.694 -4.968 -8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.097 -7.278 -7.715 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.526 -7.688 -9.364 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.604 -5.358 -6.635 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.775 -7.811 -9.916 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.964 -4.898 -6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.136 -7.351 -9.418 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.736 -5.892 -7.526 1.00 0.00 H new ATOM 1052 N GLU A 67 13.454 -4.046 -9.855 1.00 0.00 N ATOM 1053 CA GLU A 67 14.263 -3.316 -10.824 1.00 0.00 C ATOM 1054 C GLU A 67 15.733 -3.319 -10.416 1.00 0.00 C ATOM 1055 O GLU A 67 16.165 -2.498 -9.607 1.00 0.00 O ATOM 1056 CB GLU A 67 13.762 -1.877 -10.959 1.00 0.00 C ATOM 1057 CG GLU A 67 12.710 -1.698 -12.041 1.00 0.00 C ATOM 1058 CD GLU A 67 13.312 -1.358 -13.390 1.00 0.00 C ATOM 1059 OE1 GLU A 67 13.986 -0.312 -13.493 1.00 0.00 O ATOM 1060 OE2 GLU A 67 13.109 -2.139 -14.343 1.00 0.00 O ATOM 0 H GLU A 67 13.604 -3.768 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 67 14.170 -3.817 -11.788 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.347 -1.554 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.608 -1.225 -11.176 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.125 -2.614 -12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.021 -0.907 -11.745 1.00 0.00 H new ATOM 1067 N ARG A 68 16.497 -4.248 -10.982 1.00 0.00 N ATOM 1068 CA ARG A 68 17.918 -4.359 -10.677 1.00 0.00 C ATOM 1069 C ARG A 68 18.664 -3.095 -11.095 1.00 0.00 C ATOM 1070 O ARG A 68 19.746 -2.802 -10.584 1.00 0.00 O ATOM 1071 CB ARG A 68 18.520 -5.575 -11.382 1.00 0.00 C ATOM 1072 CG ARG A 68 17.821 -5.932 -12.685 1.00 0.00 C ATOM 1073 CD ARG A 68 16.809 -7.049 -12.486 1.00 0.00 C ATOM 1074 NE ARG A 68 16.648 -7.862 -13.689 1.00 0.00 N ATOM 1075 CZ ARG A 68 15.570 -8.594 -13.942 1.00 0.00 C ATOM 1076 NH1 ARG A 68 14.561 -8.615 -13.081 1.00 0.00 N ATOM 1077 NH2 ARG A 68 15.498 -9.308 -15.058 1.00 0.00 N ATOM 0 H ARG A 68 16.155 -4.935 -11.654 1.00 0.00 H new ATOM 0 HA ARG A 68 18.023 -4.484 -9.599 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.573 -5.382 -11.586 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.477 -6.432 -10.710 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.318 -5.051 -13.083 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.561 -6.238 -13.424 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.128 -7.684 -11.659 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.846 -6.621 -12.206 1.00 0.00 H new ATOM 0 HE ARG A 68 17.406 -7.867 -14.372 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.612 -8.068 -12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.734 -9.178 -13.278 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.272 -9.295 -15.723 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.669 -9.870 -15.251 1.00 0.00 H new ATOM 1091 N HIS A 69 18.080 -2.349 -12.027 1.00 0.00 N ATOM 1092 CA HIS A 69 18.689 -1.117 -12.514 1.00 0.00 C ATOM 1093 C HIS A 69 19.246 -0.293 -11.357 1.00 0.00 C ATOM 1094 O HIS A 69 20.454 -0.074 -11.264 1.00 0.00 O ATOM 1095 CB HIS A 69 17.667 -0.292 -13.297 1.00 0.00 C ATOM 1096 CG HIS A 69 17.037 -1.040 -14.432 1.00 0.00 C ATOM 1097 ND1 HIS A 69 16.021 -1.955 -14.259 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.285 -1.001 -15.762 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.671 -2.449 -15.433 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.423 -1.886 -16.362 1.00 0.00 N ATOM 0 H HIS A 69 17.185 -2.577 -12.460 1.00 0.00 H new ATOM 0 HA HIS A 69 19.512 -1.385 -13.176 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.885 0.044 -12.616 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.155 0.601 -13.688 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.023 -0.388 -16.259 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.901 -3.187 -15.604 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.372 -2.078 -17.363 1.00 0.00 H new ATOM 1109 N SER A 70 18.358 0.162 -10.479 1.00 0.00 N ATOM 1110 CA SER A 70 18.761 0.965 -9.331 1.00 0.00 C ATOM 1111 C SER A 70 18.554 0.196 -8.030 1.00 0.00 C ATOM 1112 O SER A 70 18.724 0.742 -6.939 1.00 0.00 O ATOM 1113 CB SER A 70 17.969 2.274 -9.294 1.00 0.00 C ATOM 1114 OG SER A 70 18.712 3.303 -8.665 1.00 0.00 O ATOM 0 H SER A 70 17.355 -0.012 -10.541 1.00 0.00 H new ATOM 0 HA SER A 70 19.822 1.193 -9.433 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.712 2.576 -10.309 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.031 2.120 -8.760 1.00 0.00 H new ATOM 0 HG SER A 70 18.184 4.129 -8.656 1.00 0.00 H new ATOM 1120 N ARG A 71 18.187 -1.075 -8.153 1.00 0.00 N ATOM 1121 CA ARG A 71 17.956 -1.920 -6.988 1.00 0.00 C ATOM 1122 C ARG A 71 16.745 -1.435 -6.196 1.00 0.00 C ATOM 1123 O ARG A 71 16.792 -1.333 -4.970 1.00 0.00 O ATOM 1124 CB ARG A 71 19.193 -1.937 -6.089 1.00 0.00 C ATOM 1125 CG ARG A 71 20.473 -2.308 -6.821 1.00 0.00 C ATOM 1126 CD ARG A 71 21.457 -3.012 -5.901 1.00 0.00 C ATOM 1127 NE ARG A 71 22.841 -2.803 -6.317 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.489 -1.654 -6.163 1.00 0.00 C ATOM 1129 NH1 ARG A 71 22.882 -0.616 -5.605 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.748 -1.542 -6.567 1.00 0.00 N ATOM 0 H ARG A 71 18.043 -1.542 -9.048 1.00 0.00 H new ATOM 0 HA ARG A 71 17.757 -2.933 -7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.316 -0.953 -5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.031 -2.645 -5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.236 -2.955 -7.665 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.934 -1.408 -7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.326 -2.647 -4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.240 -4.080 -5.887 1.00 0.00 H new ATOM 0 HE ARG A 71 23.337 -3.582 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.915 -0.698 -5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 71 23.382 0.265 -5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.219 -2.339 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.245 -0.659 -6.448 1.00 0.00 H new ATOM 1144 N VAL A 72 15.661 -1.135 -6.905 1.00 0.00 N ATOM 1145 CA VAL A 72 14.438 -0.661 -6.269 1.00 0.00 C ATOM 1146 C VAL A 72 13.243 -1.517 -6.670 1.00 0.00 C ATOM 1147 O VAL A 72 13.112 -1.917 -7.827 1.00 0.00 O ATOM 1148 CB VAL A 72 14.149 0.808 -6.634 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.818 1.252 -6.047 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.279 1.707 -6.156 1.00 0.00 C ATOM 0 H VAL A 72 15.605 -1.212 -7.921 1.00 0.00 H new ATOM 0 HA VAL A 72 14.591 -0.737 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 72 14.085 0.889 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.631 2.292 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.019 0.626 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.849 1.157 -4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.059 2.741 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.377 1.624 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.212 1.401 -6.629 1.00 0.00 H new ATOM 1160 N TYR A 73 12.372 -1.795 -5.706 1.00 0.00 N ATOM 1161 CA TYR A 73 11.186 -2.606 -5.958 1.00 0.00 C ATOM 1162 C TYR A 73 9.953 -1.727 -6.139 1.00 0.00 C ATOM 1163 O TYR A 73 9.864 -0.636 -5.576 1.00 0.00 O ATOM 1164 CB TYR A 73 10.961 -3.589 -4.807 1.00 0.00 C ATOM 1165 CG TYR A 73 11.982 -4.703 -4.754 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.244 -4.491 -4.214 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.683 -5.969 -5.243 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.180 -5.506 -4.164 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.612 -6.990 -5.197 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.859 -6.754 -4.656 1.00 0.00 C ATOM 1171 OH TYR A 73 14.787 -7.768 -4.607 1.00 0.00 O ATOM 0 H TYR A 73 12.465 -1.471 -4.743 1.00 0.00 H new ATOM 0 HA TYR A 73 11.349 -3.166 -6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.983 -3.043 -3.864 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.966 -4.024 -4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.498 -3.516 -3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.707 -6.158 -5.666 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.157 -5.323 -3.742 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.364 -7.968 -5.582 1.00 0.00 H new ATOM 0 HH TYR A 73 15.018 -7.955 -3.673 1.00 0.00 H new ATOM 1181 N THR A 74 9.000 -2.211 -6.931 1.00 0.00 N ATOM 1182 CA THR A 74 7.772 -1.471 -7.188 1.00 0.00 C ATOM 1183 C THR A 74 6.548 -2.366 -7.032 1.00 0.00 C ATOM 1184 O THR A 74 6.225 -3.154 -7.922 1.00 0.00 O ATOM 1185 CB THR A 74 7.770 -0.859 -8.602 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.888 0.021 -8.756 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.479 -0.098 -8.860 1.00 0.00 C ATOM 0 H THR A 74 9.056 -3.112 -7.405 1.00 0.00 H new ATOM 0 HA THR A 74 7.727 -0.668 -6.453 1.00 0.00 H new ATOM 0 HB THR A 74 7.845 -1.671 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.881 0.405 -9.658 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.501 0.325 -9.864 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.632 -0.778 -8.771 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.378 0.705 -8.130 1.00 0.00 H new ATOM 1195 N PHE A 75 5.868 -2.240 -5.898 1.00 0.00 N ATOM 1196 CA PHE A 75 4.679 -3.039 -5.625 1.00 0.00 C ATOM 1197 C PHE A 75 3.411 -2.215 -5.833 1.00 0.00 C ATOM 1198 O PHE A 75 3.355 -1.041 -5.467 1.00 0.00 O ATOM 1199 CB PHE A 75 4.719 -3.581 -4.195 1.00 0.00 C ATOM 1200 CG PHE A 75 6.069 -4.099 -3.789 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.679 -5.119 -4.501 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.729 -3.565 -2.693 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.921 -5.597 -4.130 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.972 -4.039 -2.317 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.568 -5.057 -3.035 1.00 0.00 C ATOM 0 H PHE A 75 6.120 -1.591 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 75 4.667 -3.876 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.420 -2.791 -3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.987 -4.382 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.177 -5.546 -5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.267 -2.770 -2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.386 -6.392 -4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.477 -3.613 -1.462 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.538 -5.430 -2.741 1.00 0.00 H new ATOM 1215 N GLU A 76 2.397 -2.839 -6.424 1.00 0.00 N ATOM 1216 CA GLU A 76 1.131 -2.163 -6.681 1.00 0.00 C ATOM 1217 C GLU A 76 -0.035 -2.943 -6.080 1.00 0.00 C ATOM 1218 O GLU A 76 0.115 -4.101 -5.691 1.00 0.00 O ATOM 1219 CB GLU A 76 0.918 -1.987 -8.186 1.00 0.00 C ATOM 1220 CG GLU A 76 1.999 -1.158 -8.861 1.00 0.00 C ATOM 1221 CD GLU A 76 1.639 -0.777 -10.283 1.00 0.00 C ATOM 1222 OE1 GLU A 76 0.448 -0.505 -10.542 1.00 0.00 O ATOM 1223 OE2 GLU A 76 2.549 -0.750 -11.138 1.00 0.00 O ATOM 0 H GLU A 76 2.427 -3.810 -6.733 1.00 0.00 H new ATOM 0 HA GLU A 76 1.171 -1.181 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.879 -2.970 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.049 -1.514 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.174 -0.253 -8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.933 -1.720 -8.865 1.00 0.00 H new ATOM 1230 N MET A 77 -1.195 -2.299 -6.007 1.00 0.00 N ATOM 1231 CA MET A 77 -2.386 -2.933 -5.454 1.00 0.00 C ATOM 1232 C MET A 77 -3.603 -2.665 -6.334 1.00 0.00 C ATOM 1233 O MET A 77 -4.208 -1.596 -6.263 1.00 0.00 O ATOM 1234 CB MET A 77 -2.648 -2.425 -4.034 1.00 0.00 C ATOM 1235 CG MET A 77 -3.796 -3.135 -3.337 1.00 0.00 C ATOM 1236 SD MET A 77 -5.362 -2.257 -3.506 1.00 0.00 S ATOM 1237 CE MET A 77 -5.240 -1.083 -2.158 1.00 0.00 C ATOM 0 H MET A 77 -1.336 -1.340 -6.323 1.00 0.00 H new ATOM 0 HA MET A 77 -2.212 -4.009 -5.422 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.742 -2.547 -3.440 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.862 -1.357 -4.073 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.901 -4.139 -3.749 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.560 -3.248 -2.279 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.121 -0.442 -2.153 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.177 -1.621 -1.212 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.347 -0.472 -2.288 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.955 -3.643 -7.163 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.098 -3.511 -8.058 1.00 0.00 C ATOM 1249 C GLN A 78 -6.396 -3.863 -7.338 1.00 0.00 C ATOM 1250 O GLN A 78 -6.451 -4.828 -6.574 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.921 -4.409 -9.283 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.389 -3.769 -10.580 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.169 -4.663 -11.784 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -6.085 -4.897 -12.573 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.950 -5.169 -11.932 1.00 0.00 N ATOM 0 H GLN A 78 -3.465 -4.535 -7.233 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.154 -2.472 -8.384 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.868 -4.676 -9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.472 -5.336 -9.126 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.449 -3.528 -10.500 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.859 -2.828 -10.729 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.221 -4.949 -11.254 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.743 -5.778 -12.724 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.437 -3.075 -7.585 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.734 -3.305 -6.961 1.00 0.00 C ATOM 1266 C ILE A 79 -9.841 -3.386 -8.007 1.00 0.00 C ATOM 1267 O ILE A 79 -10.305 -2.364 -8.514 1.00 0.00 O ATOM 1268 CB ILE A 79 -9.077 -2.193 -5.951 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -8.032 -2.148 -4.835 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.467 -2.414 -5.374 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.580 -1.653 -3.514 1.00 0.00 C ATOM 0 H ILE A 79 -7.407 -2.272 -8.213 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.667 -4.256 -6.433 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.068 -1.235 -6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.617 -3.146 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.210 -1.502 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.696 -1.621 -4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.201 -2.402 -6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.501 -3.378 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.784 -1.647 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.969 -0.642 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.382 -2.312 -3.183 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.259 -4.606 -8.323 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.314 -4.821 -9.306 1.00 0.00 C ATOM 1285 C ILE A 80 -12.690 -4.800 -8.650 1.00 0.00 C ATOM 1286 O ILE A 80 -12.870 -5.309 -7.543 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.130 -6.159 -10.046 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.643 -6.463 -10.234 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.843 -6.123 -11.390 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.044 -7.272 -9.105 1.00 0.00 C ATOM 0 H ILE A 80 -9.884 -5.461 -7.913 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.245 -4.005 -10.026 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.570 -6.954 -9.444 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.507 -7.004 -11.170 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.097 -5.524 -10.327 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.704 -7.076 -11.901 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.907 -5.948 -11.233 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.429 -5.320 -12.000 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.987 -7.450 -9.306 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.148 -6.723 -8.169 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.564 -8.227 -9.026 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.660 -4.211 -9.340 1.00 0.00 N ATOM 1303 CA LYS A 81 -15.022 -4.126 -8.827 1.00 0.00 C ATOM 1304 C LYS A 81 -15.035 -3.570 -7.406 1.00 0.00 C ATOM 1305 O LYS A 81 -15.716 -4.100 -6.529 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.686 -5.505 -8.853 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.717 -6.139 -10.233 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.852 -7.141 -10.360 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.497 -8.266 -11.320 1.00 0.00 C ATOM 1310 NZ LYS A 81 -15.849 -9.410 -10.619 1.00 0.00 N ATOM 0 H LYS A 81 -13.528 -3.785 -10.257 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.583 -3.447 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.155 -6.168 -8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.706 -5.415 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.830 -5.362 -10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.767 -6.637 -10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.083 -7.557 -9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.750 -6.632 -10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.400 -8.613 -11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.827 -7.887 -12.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.623 -10.156 -11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.974 -9.085 -10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.497 -9.789 -9.899 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.279 -2.500 -7.188 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.206 -1.871 -5.875 1.00 0.00 C ATOM 1326 C ALA A 82 -15.598 -1.666 -5.287 1.00 0.00 C ATOM 1327 O ALA A 82 -16.472 -1.077 -5.923 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.469 -0.543 -5.965 1.00 0.00 C ATOM 0 H ALA A 82 -13.708 -2.050 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.653 -2.536 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.422 -0.085 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.458 -0.712 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.998 0.121 -6.648 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.799 -2.155 -4.068 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.084 -2.026 -3.393 1.00 0.00 C ATOM 1336 C LYS A 83 -17.060 -0.874 -2.393 1.00 0.00 C ATOM 1337 O LYS A 83 -15.993 -0.405 -1.998 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.441 -3.330 -2.675 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.113 -4.576 -3.480 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.298 -5.838 -2.654 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.887 -7.078 -3.432 1.00 0.00 C ATOM 1342 NZ LYS A 83 -18.027 -7.659 -4.194 1.00 0.00 N ATOM 0 H LYS A 83 -15.087 -2.645 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.842 -1.815 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.908 -3.370 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.506 -3.327 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.753 -4.620 -4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.084 -4.520 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.706 -5.767 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.341 -5.926 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.082 -6.824 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -16.493 -7.825 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.701 -8.492 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.779 -7.941 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.398 -6.950 -4.858 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.242 -0.423 -1.988 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.357 0.672 -1.032 1.00 0.00 C ATOM 1358 C ASP A 84 -17.636 0.335 0.270 1.00 0.00 C ATOM 1359 O ASP A 84 -17.354 1.216 1.080 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.828 0.980 -0.750 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.379 0.166 0.405 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.000 0.446 1.561 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -21.188 -0.752 0.152 1.00 0.00 O ATOM 0 H ASP A 84 -19.135 -0.799 -2.307 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.887 1.553 -1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.938 2.041 -0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.416 0.779 -1.645 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.342 -0.947 0.463 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.656 -1.400 1.667 1.00 0.00 C ATOM 1370 C ASN A 85 -15.147 -1.211 1.537 1.00 0.00 C ATOM 1371 O ASN A 85 -14.425 -1.196 2.534 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.975 -2.872 1.937 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.225 -3.049 2.776 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -18.949 -2.089 3.040 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -18.484 -4.280 3.201 1.00 0.00 N ATOM 0 H ASN A 85 -17.568 -1.690 -0.199 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.009 -0.799 2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.101 -3.393 0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.130 -3.336 2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.311 -4.460 3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.856 -5.046 2.958 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.679 -1.066 0.303 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.256 -0.877 0.042 1.00 0.00 C ATOM 1384 C PHE A 86 -12.807 0.520 0.460 1.00 0.00 C ATOM 1385 O PHE A 86 -11.614 0.784 0.598 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.954 -1.100 -1.441 1.00 0.00 C ATOM 1387 CG PHE A 86 -12.952 -2.547 -1.842 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -13.965 -3.396 -1.426 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.938 -3.059 -2.636 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -13.965 -4.729 -1.793 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.933 -4.390 -3.006 1.00 0.00 C ATOM 1392 CZ PHE A 86 -12.948 -5.226 -2.585 1.00 0.00 C ATOM 0 H PHE A 86 -15.263 -1.076 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.704 -1.608 0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.694 -0.567 -2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.982 -0.665 -1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -14.763 -3.012 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.142 -2.410 -2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -14.759 -5.381 -1.461 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.136 -4.776 -3.624 1.00 0.00 H new ATOM 0 HZ PHE A 86 -12.947 -6.267 -2.874 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.773 1.411 0.659 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.479 2.780 1.062 1.00 0.00 C ATOM 1404 C ALA A 87 -13.091 2.847 2.536 1.00 0.00 C ATOM 1405 O ALA A 87 -13.645 2.128 3.366 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.675 3.680 0.788 1.00 0.00 C ATOM 0 H ALA A 87 -14.766 1.209 0.547 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.632 3.131 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.441 4.700 1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.905 3.665 -0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.537 3.321 1.351 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.136 3.715 2.853 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.690 3.859 4.227 1.00 0.00 C ATOM 1414 C GLY A 88 -10.199 4.112 4.329 1.00 0.00 C ATOM 1415 O GLY A 88 -9.627 4.831 3.511 1.00 0.00 O ATOM 0 H GLY A 88 -11.663 4.321 2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.228 4.683 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.941 2.956 4.784 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.568 3.520 5.338 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.134 3.687 5.545 1.00 0.00 C ATOM 1421 C ASN A 89 -7.379 2.412 5.181 1.00 0.00 C ATOM 1422 O ASN A 89 -7.782 1.311 5.557 1.00 0.00 O ATOM 1423 CB ASN A 89 -7.849 4.064 7.001 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.364 4.120 7.303 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -5.828 3.260 8.002 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -5.691 5.136 6.776 1.00 0.00 N ATOM 0 H ASN A 89 -10.027 2.921 6.024 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.789 4.490 4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.298 5.034 7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.324 3.338 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.689 5.226 6.945 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.176 5.826 6.202 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.283 2.570 4.448 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.472 1.432 4.031 1.00 0.00 C ATOM 1435 C TYR A 90 -4.123 1.433 4.744 1.00 0.00 C ATOM 1436 O TYR A 90 -3.763 2.402 5.412 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.261 1.457 2.516 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.412 0.866 1.734 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.598 1.570 1.566 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.313 -0.397 1.163 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.652 1.034 0.853 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.362 -0.940 0.447 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.530 -0.222 0.295 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.577 -0.759 -0.417 1.00 0.00 O ATOM 0 H TYR A 90 -5.935 3.475 4.130 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.005 0.520 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.107 2.488 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.350 0.909 2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.697 2.554 2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.401 -0.963 1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.567 1.595 0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.268 -1.922 0.008 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.409 -0.307 -0.166 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.383 0.339 4.597 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.074 0.213 5.226 1.00 0.00 C ATOM 1456 C ARG A 91 -1.163 -0.698 4.409 1.00 0.00 C ATOM 1457 O ARG A 91 -1.628 -1.634 3.757 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.219 -0.336 6.647 1.00 0.00 C ATOM 1459 CG ARG A 91 -0.955 -0.207 7.482 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.239 -0.423 8.960 1.00 0.00 C ATOM 1461 NE ARG A 91 -1.672 -1.789 9.240 1.00 0.00 N ATOM 1462 CZ ARG A 91 -2.110 -2.193 10.427 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -2.173 -1.339 11.439 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -2.487 -3.453 10.604 1.00 0.00 N ATOM 0 H ARG A 91 -3.667 -0.472 4.048 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.623 1.204 5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.031 0.189 7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.504 -1.387 6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.217 -0.934 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.520 0.781 7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.342 -0.202 9.538 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.009 0.276 9.287 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.636 -2.471 8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.885 -0.370 11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.510 -1.651 12.350 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.441 -4.113 9.828 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.823 -3.761 11.516 1.00 0.00 H new ATOM 1478 N CYS A 92 0.135 -0.418 4.448 1.00 0.00 N ATOM 1479 CA CYS A 92 1.111 -1.211 3.709 1.00 0.00 C ATOM 1480 C CYS A 92 2.369 -1.439 4.542 1.00 0.00 C ATOM 1481 O CYS A 92 3.061 -0.490 4.908 1.00 0.00 O ATOM 1482 CB CYS A 92 1.474 -0.518 2.395 1.00 0.00 C ATOM 1483 SG CYS A 92 1.725 1.267 2.547 1.00 0.00 S ATOM 0 H CYS A 92 0.536 0.352 4.983 1.00 0.00 H new ATOM 0 HA CYS A 92 0.662 -2.179 3.488 1.00 0.00 H new ATOM 0 HB2 CYS A 92 2.383 -0.969 1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 92 0.683 -0.702 1.669 1.00 0.00 H new ATOM 0 HG CYS A 92 1.371 1.655 3.736 1.00 0.00 H new ATOM 1489 N GLU A 93 2.655 -2.702 4.838 1.00 0.00 N ATOM 1490 CA GLU A 93 3.828 -3.053 5.630 1.00 0.00 C ATOM 1491 C GLU A 93 4.844 -3.821 4.788 1.00 0.00 C ATOM 1492 O GLU A 93 4.545 -4.890 4.257 1.00 0.00 O ATOM 1493 CB GLU A 93 3.420 -3.890 6.844 1.00 0.00 C ATOM 1494 CG GLU A 93 2.700 -3.093 7.919 1.00 0.00 C ATOM 1495 CD GLU A 93 2.534 -3.871 9.210 1.00 0.00 C ATOM 1496 OE1 GLU A 93 3.526 -3.999 9.957 1.00 0.00 O ATOM 1497 OE2 GLU A 93 1.412 -4.352 9.473 1.00 0.00 O ATOM 0 H GLU A 93 2.091 -3.499 4.542 1.00 0.00 H new ATOM 0 HA GLU A 93 4.291 -2.128 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.775 -4.704 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.311 -4.345 7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.256 -2.177 8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.719 -2.796 7.550 1.00 0.00 H new ATOM 1504 N VAL A 94 6.046 -3.266 4.671 1.00 0.00 N ATOM 1505 CA VAL A 94 7.107 -3.897 3.895 1.00 0.00 C ATOM 1506 C VAL A 94 8.323 -4.194 4.765 1.00 0.00 C ATOM 1507 O VAL A 94 9.070 -3.289 5.138 1.00 0.00 O ATOM 1508 CB VAL A 94 7.540 -3.011 2.712 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.678 -3.665 1.944 1.00 0.00 C ATOM 1510 CG2 VAL A 94 6.358 -2.732 1.795 1.00 0.00 C ATOM 0 H VAL A 94 6.309 -2.381 5.104 1.00 0.00 H new ATOM 0 HA VAL A 94 6.703 -4.833 3.510 1.00 0.00 H new ATOM 0 HB VAL A 94 7.898 -2.060 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.971 -3.025 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.530 -3.809 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.350 -4.631 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.682 -2.105 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.968 -3.673 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.577 -2.218 2.355 1.00 0.00 H new ATOM 1520 N THR A 95 8.517 -5.470 5.086 1.00 0.00 N ATOM 1521 CA THR A 95 9.642 -5.887 5.913 1.00 0.00 C ATOM 1522 C THR A 95 10.813 -6.352 5.055 1.00 0.00 C ATOM 1523 O THR A 95 10.641 -7.148 4.132 1.00 0.00 O ATOM 1524 CB THR A 95 9.242 -7.023 6.874 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.363 -7.939 6.211 1.00 0.00 O ATOM 1526 CG2 THR A 95 8.560 -6.467 8.115 1.00 0.00 C ATOM 0 H THR A 95 7.909 -6.232 4.785 1.00 0.00 H new ATOM 0 HA THR A 95 9.945 -5.017 6.496 1.00 0.00 H new ATOM 0 HB THR A 95 10.148 -7.546 7.180 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.115 -8.659 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.287 -7.288 8.778 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.242 -5.793 8.633 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.662 -5.922 7.823 1.00 0.00 H new ATOM 1534 N TYR A 96 12.003 -5.850 5.365 1.00 0.00 N ATOM 1535 CA TYR A 96 13.203 -6.212 4.620 1.00 0.00 C ATOM 1536 C TYR A 96 14.347 -6.563 5.567 1.00 0.00 C ATOM 1537 O TYR A 96 14.238 -6.392 6.781 1.00 0.00 O ATOM 1538 CB TYR A 96 13.622 -5.066 3.698 1.00 0.00 C ATOM 1539 CG TYR A 96 14.685 -5.454 2.695 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.615 -6.660 2.009 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.760 -4.613 2.433 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.585 -7.018 1.093 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.734 -4.962 1.518 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.642 -6.166 0.851 1.00 0.00 C ATOM 1545 OH TYR A 96 17.609 -6.519 -0.062 1.00 0.00 O ATOM 0 H TYR A 96 12.163 -5.191 6.127 1.00 0.00 H new ATOM 0 HA TYR A 96 12.974 -7.090 4.016 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.745 -4.702 3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.991 -4.239 4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.788 -7.329 2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.835 -3.670 2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.516 -7.960 0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.563 -4.296 1.326 1.00 0.00 H new ATOM 0 HH TYR A 96 17.753 -5.779 -0.689 1.00 0.00 H new ATOM 1611 N PHE A 100 12.774 -2.038 8.302 1.00 0.00 N ATOM 1612 CA PHE A 100 11.353 -2.287 8.091 1.00 0.00 C ATOM 1613 C PHE A 100 10.538 -1.018 8.324 1.00 0.00 C ATOM 1614 O PHE A 100 10.648 -0.380 9.371 1.00 0.00 O ATOM 1615 CB PHE A 100 10.864 -3.398 9.022 1.00 0.00 C ATOM 1616 CG PHE A 100 9.404 -3.297 9.361 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.447 -3.273 8.360 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.990 -3.226 10.682 1.00 0.00 C ATOM 1619 CE1 PHE A 100 7.103 -3.181 8.669 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.647 -3.134 10.996 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.703 -3.110 9.989 1.00 0.00 C ATOM 0 HA PHE A 100 11.215 -2.602 7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 100 11.054 -4.364 8.553 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.445 -3.371 9.944 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.755 -3.327 7.326 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.724 -3.243 11.474 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.367 -3.165 7.879 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.336 -3.081 12.029 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.654 -3.036 10.233 1.00 0.00 H new ATOM 1631 N ASP A 101 9.722 -0.658 7.340 1.00 0.00 N ATOM 1632 CA ASP A 101 8.887 0.534 7.436 1.00 0.00 C ATOM 1633 C ASP A 101 7.496 0.271 6.870 1.00 0.00 C ATOM 1634 O ASP A 101 7.307 -0.631 6.054 1.00 0.00 O ATOM 1635 CB ASP A 101 9.541 1.702 6.694 1.00 0.00 C ATOM 1636 CG ASP A 101 8.872 3.028 6.997 1.00 0.00 C ATOM 1637 OD1 ASP A 101 8.958 3.485 8.156 1.00 0.00 O ATOM 1638 OD2 ASP A 101 8.262 3.609 6.075 1.00 0.00 O ATOM 0 H ASP A 101 9.621 -1.174 6.466 1.00 0.00 H new ATOM 0 HA ASP A 101 8.787 0.793 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.594 1.759 6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.501 1.515 5.621 1.00 0.00 H new ATOM 1643 N SER A 102 6.524 1.064 7.310 1.00 0.00 N ATOM 1644 CA SER A 102 5.148 0.913 6.851 1.00 0.00 C ATOM 1645 C SER A 102 4.448 2.267 6.777 1.00 0.00 C ATOM 1646 O SER A 102 4.738 3.171 7.562 1.00 0.00 O ATOM 1647 CB SER A 102 4.376 -0.022 7.784 1.00 0.00 C ATOM 1648 OG SER A 102 4.393 0.459 9.117 1.00 0.00 O ATOM 0 H SER A 102 6.664 1.817 7.983 1.00 0.00 H new ATOM 0 HA SER A 102 5.171 0.480 5.851 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.346 -0.114 7.440 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.814 -1.019 7.748 1.00 0.00 H new ATOM 0 HG SER A 102 3.892 -0.155 9.693 1.00 0.00 H new ATOM 1654 N CYS A 103 3.527 2.399 5.829 1.00 0.00 N ATOM 1655 CA CYS A 103 2.786 3.642 5.651 1.00 0.00 C ATOM 1656 C CYS A 103 1.285 3.378 5.603 1.00 0.00 C ATOM 1657 O CYS A 103 0.849 2.232 5.501 1.00 0.00 O ATOM 1658 CB CYS A 103 3.234 4.348 4.370 1.00 0.00 C ATOM 1659 SG CYS A 103 2.805 6.103 4.305 1.00 0.00 S ATOM 0 H CYS A 103 3.276 1.660 5.172 1.00 0.00 H new ATOM 0 HA CYS A 103 2.996 4.287 6.505 1.00 0.00 H new ATOM 0 HB2 CYS A 103 4.315 4.245 4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.786 3.844 3.514 1.00 0.00 H new ATOM 0 HG CYS A 103 2.221 6.365 3.173 1.00 0.00 H new ATOM 1665 N SER A 104 0.498 4.447 5.678 1.00 0.00 N ATOM 1666 CA SER A 104 -0.955 4.331 5.648 1.00 0.00 C ATOM 1667 C SER A 104 -1.573 5.458 4.827 1.00 0.00 C ATOM 1668 O SER A 104 -1.139 6.607 4.902 1.00 0.00 O ATOM 1669 CB SER A 104 -1.518 4.353 7.071 1.00 0.00 C ATOM 1670 OG SER A 104 -1.249 5.590 7.707 1.00 0.00 O ATOM 0 H SER A 104 0.843 5.403 5.760 1.00 0.00 H new ATOM 0 HA SER A 104 -1.210 3.381 5.178 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.594 4.182 7.042 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.081 3.540 7.651 1.00 0.00 H new ATOM 0 HG SER A 104 -1.620 5.579 8.614 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.591 5.119 4.042 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.270 6.101 3.204 1.00 0.00 C ATOM 1678 C PHE A 105 -4.783 6.016 3.384 1.00 0.00 C ATOM 1679 O PHE A 105 -5.280 5.231 4.192 1.00 0.00 O ATOM 1680 CB PHE A 105 -2.907 5.887 1.734 1.00 0.00 C ATOM 1681 CG PHE A 105 -2.870 4.441 1.330 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.866 3.605 1.790 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.839 3.918 0.489 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.829 2.273 1.420 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.808 2.588 0.116 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.802 1.765 0.581 1.00 0.00 C ATOM 0 H PHE A 105 -2.964 4.172 3.969 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.940 7.094 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.630 6.412 1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.933 6.335 1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.103 3.998 2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.628 4.557 0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.041 1.631 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.570 2.193 -0.539 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.776 0.725 0.289 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.509 6.829 2.625 1.00 0.00 N ATOM 1697 CA ASP A 106 -6.966 6.846 2.699 1.00 0.00 C ATOM 1698 C ASP A 106 -7.582 6.747 1.307 1.00 0.00 C ATOM 1699 O ASP A 106 -7.228 7.507 0.404 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.448 8.120 3.394 1.00 0.00 C ATOM 1701 CG ASP A 106 -6.602 9.327 3.041 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -5.472 9.433 3.562 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -7.071 10.168 2.245 1.00 0.00 O ATOM 0 H ASP A 106 -5.113 7.485 1.952 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.286 5.981 3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.484 8.312 3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.430 7.971 4.474 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.504 5.806 1.139 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.169 5.607 -0.144 1.00 0.00 C ATOM 1710 C LEU A 107 -10.636 6.015 -0.066 1.00 0.00 C ATOM 1711 O LEU A 107 -11.216 6.075 1.017 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.056 4.144 -0.578 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.917 3.730 -1.772 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -9.402 4.372 -3.050 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.947 2.214 -1.908 1.00 0.00 C ATOM 0 H LEU A 107 -8.808 5.169 1.875 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.675 6.238 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.013 3.937 -0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.319 3.513 0.271 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.935 4.079 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -10.027 4.066 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.434 5.457 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.375 4.054 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.564 1.938 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.933 1.842 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.365 1.776 -1.002 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.231 6.291 -1.223 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.632 6.692 -1.284 1.00 0.00 C ATOM 1729 C GLU A 108 -13.364 5.941 -2.392 1.00 0.00 C ATOM 1730 O GLU A 108 -12.778 5.603 -3.421 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.744 8.200 -1.514 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.717 9.015 -0.232 1.00 0.00 C ATOM 1733 CD GLU A 108 -12.696 10.509 -0.491 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -11.655 11.017 -0.955 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -13.723 11.170 -0.228 1.00 0.00 O ATOM 0 H GLU A 108 -10.765 6.244 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.097 6.442 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.925 8.523 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.671 8.410 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.591 8.767 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.839 8.739 0.351 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.650 5.683 -2.175 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.464 4.973 -3.154 1.00 0.00 C ATOM 1744 C VAL A 109 -16.734 5.750 -3.481 1.00 0.00 C ATOM 1745 O VAL A 109 -17.527 6.067 -2.593 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.849 3.569 -2.651 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.483 2.756 -3.770 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.632 2.853 -2.085 1.00 0.00 C ATOM 0 H VAL A 109 -15.151 5.955 -1.329 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.860 4.875 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.582 3.677 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.748 1.767 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.381 3.263 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.775 2.655 -4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.923 1.863 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.874 2.755 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.226 3.428 -1.253 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.922 6.056 -4.761 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.097 6.796 -5.205 1.00 0.00 C ATOM 1760 C HIS A 110 -19.108 5.864 -5.866 1.00 0.00 C ATOM 1761 O HIS A 110 -18.734 4.940 -6.587 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.691 7.901 -6.181 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.023 9.068 -5.520 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -17.057 10.346 -6.037 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.302 9.144 -4.377 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.385 11.158 -5.241 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.917 10.454 -4.226 1.00 0.00 N ATOM 0 H HIS A 110 -16.276 5.803 -5.508 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.564 7.248 -4.330 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.018 7.484 -6.930 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.578 8.252 -6.709 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.072 8.327 -3.709 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.242 12.218 -5.394 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.360 10.823 -3.455 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.389 6.114 -5.614 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.453 5.296 -6.184 1.00 0.00 C ATOM 1778 C GLU A 111 -21.530 5.479 -7.697 1.00 0.00 C ATOM 1779 O GLU A 111 -21.736 6.589 -8.189 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.798 5.652 -5.547 1.00 0.00 C ATOM 1781 CG GLU A 111 -22.905 5.250 -4.086 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.342 5.155 -3.611 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.206 4.742 -4.412 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.602 5.494 -2.437 1.00 0.00 O ATOM 0 H GLU A 111 -20.715 6.876 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.225 4.251 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -22.957 6.727 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.596 5.166 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.414 4.288 -3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.371 5.976 -3.473 1.00 0.00 H new ATOM 1791 N SER A 112 -21.362 4.383 -8.429 1.00 0.00 N ATOM 1792 CA SER A 112 -21.407 4.423 -9.886 1.00 0.00 C ATOM 1793 C SER A 112 -22.779 4.879 -10.375 1.00 0.00 C ATOM 1794 O SER A 112 -23.810 4.457 -9.851 1.00 0.00 O ATOM 1795 CB SER A 112 -21.079 3.045 -10.466 1.00 0.00 C ATOM 1796 OG SER A 112 -21.292 3.017 -11.866 1.00 0.00 O ATOM 0 H SER A 112 -21.193 3.456 -8.037 1.00 0.00 H new ATOM 0 HA SER A 112 -20.661 5.140 -10.228 1.00 0.00 H new ATOM 0 HB2 SER A 112 -20.041 2.793 -10.248 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.699 2.288 -9.986 1.00 0.00 H new ATOM 0 HG SER A 112 -21.074 2.127 -12.212 1.00 0.00 H new