USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 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 :FLIP no HD1:sc= -0.207 F(o=-2.3,f=0.67) USER MOD Set 1.2: A 83 LYS NZ :NH3+ 178:sc= 0.878 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2.95! C(o=-2.9!,f=-6.5!) USER MOD Single : A 18 THR OG1 : rot -140:sc= -0.714 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.047 (180deg=-0.4) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00606 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+ 179:sc= -1.44 (180deg=-1.52) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -148:sc= -6.04! (180deg=-9.38!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00738 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 :FLIP amide:sc= -0.759 F(o=-1.9,f=-0.76) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc=-0.00367 K(o=-0.0037,f=-0.75) USER MOD Single : A 70 SER OG : rot -49:sc= 0.115 USER MOD Single : A 73 TYR OH : rot 55:sc= 0.0504 USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.86 USER MOD Single : A 77 MET CE :methyl -168:sc= -2.74 (180deg=-3.74) USER MOD Single : A 78 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.08! C(o=-2.1!,f=-4.8!) USER MOD Single : A 89 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 90 TYR OH : rot -11:sc= 1.28 USER MOD Single : A 92 CYS SG : rot -88:sc= -0.905 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 30:sc=8.06e-05 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 180:sc= -0.178 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -2.16 X(o=-2.2,f=-2.6!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 10.993 4.435 -0.677 1.00 0.00 N ATOM 125 CA ILE A 11 11.119 5.420 -1.745 1.00 0.00 C ATOM 126 C ILE A 11 9.781 6.091 -2.035 1.00 0.00 C ATOM 127 O ILE A 11 9.553 7.235 -1.643 1.00 0.00 O ATOM 128 CB ILE A 11 11.651 4.780 -3.041 1.00 0.00 C ATOM 129 CG1 ILE A 11 13.093 4.306 -2.847 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.563 5.768 -4.194 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.665 3.602 -4.058 1.00 0.00 C ATOM 0 HA ILE A 11 11.831 6.170 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 11 11.033 3.915 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.720 5.164 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.133 3.632 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.943 5.301 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.524 6.061 -4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.159 6.651 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.689 3.294 -3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.061 2.724 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.657 4.281 -4.911 1.00 0.00 H new ATOM 143 N GLU A 12 8.900 5.370 -2.721 1.00 0.00 N ATOM 144 CA GLU A 12 7.584 5.897 -3.062 1.00 0.00 C ATOM 145 C GLU A 12 6.516 5.342 -2.123 1.00 0.00 C ATOM 146 O GLU A 12 6.709 4.304 -1.489 1.00 0.00 O ATOM 147 CB GLU A 12 7.232 5.555 -4.511 1.00 0.00 C ATOM 148 CG GLU A 12 6.323 6.575 -5.175 1.00 0.00 C ATOM 149 CD GLU A 12 7.041 7.870 -5.503 1.00 0.00 C ATOM 150 OE1 GLU A 12 7.862 8.318 -4.676 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.782 8.435 -6.586 1.00 0.00 O ATOM 0 H GLU A 12 9.073 4.421 -3.051 1.00 0.00 H new ATOM 0 HA GLU A 12 7.615 6.981 -2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.152 5.471 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.748 4.579 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.913 6.149 -6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.480 6.788 -4.517 1.00 0.00 H new ATOM 158 N LYS A 13 5.389 6.041 -2.040 1.00 0.00 N ATOM 159 CA LYS A 13 4.289 5.620 -1.180 1.00 0.00 C ATOM 160 C LYS A 13 2.966 5.642 -1.939 1.00 0.00 C ATOM 161 O LYS A 13 2.730 6.493 -2.798 1.00 0.00 O ATOM 162 CB LYS A 13 4.199 6.527 0.049 1.00 0.00 C ATOM 163 CG LYS A 13 5.499 6.626 0.828 1.00 0.00 C ATOM 164 CD LYS A 13 5.596 7.939 1.586 1.00 0.00 C ATOM 165 CE LYS A 13 4.950 7.839 2.960 1.00 0.00 C ATOM 166 NZ LYS A 13 5.910 7.352 3.990 1.00 0.00 N ATOM 0 H LYS A 13 5.213 6.902 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 13 4.485 4.598 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.898 7.526 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.417 6.153 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.568 5.794 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.342 6.537 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.643 8.221 1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.111 8.729 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.567 8.817 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.096 7.164 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.432 7.298 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.256 6.408 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.713 8.010 4.055 1.00 0.00 H new ATOM 180 N PRO A 14 2.081 4.687 -1.617 1.00 0.00 N ATOM 181 CA PRO A 14 0.767 4.578 -2.255 1.00 0.00 C ATOM 182 C PRO A 14 -0.168 5.715 -1.857 1.00 0.00 C ATOM 183 O PRO A 14 -0.839 5.646 -0.828 1.00 0.00 O ATOM 184 CB PRO A 14 0.231 3.240 -1.738 1.00 0.00 C ATOM 185 CG PRO A 14 0.933 3.027 -0.442 1.00 0.00 C ATOM 186 CD PRO A 14 2.296 3.641 -0.603 1.00 0.00 C ATOM 0 HA PRO A 14 0.836 4.634 -3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.850 3.272 -1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.440 2.432 -2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.389 3.495 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.009 1.965 -0.209 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.662 4.059 0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.031 2.907 -0.933 1.00 0.00 H new ATOM 194 N GLN A 15 -0.206 6.759 -2.679 1.00 0.00 N ATOM 195 CA GLN A 15 -1.059 7.911 -2.411 1.00 0.00 C ATOM 196 C GLN A 15 -2.529 7.557 -2.607 1.00 0.00 C ATOM 197 O GLN A 15 -3.003 7.435 -3.735 1.00 0.00 O ATOM 198 CB GLN A 15 -0.676 9.078 -3.323 1.00 0.00 C ATOM 199 CG GLN A 15 0.706 9.643 -3.041 1.00 0.00 C ATOM 200 CD GLN A 15 1.811 8.831 -3.688 1.00 0.00 C ATOM 201 OE1 GLN A 15 1.568 8.057 -4.614 1.00 0.00 O ATOM 202 NE2 GLN A 15 3.035 9.005 -3.203 1.00 0.00 N ATOM 0 H GLN A 15 0.343 6.831 -3.535 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.912 8.207 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.719 8.747 -4.360 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.414 9.873 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.755 10.670 -3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.868 9.676 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.191 9.657 -2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.819 8.487 -3.599 1.00 0.00 H new ATOM 211 N GLY A 16 -3.246 7.392 -1.499 1.00 0.00 N ATOM 212 CA GLY A 16 -4.655 7.053 -1.571 1.00 0.00 C ATOM 213 C GLY A 16 -5.413 7.930 -2.548 1.00 0.00 C ATOM 214 O GLY A 16 -4.923 8.980 -2.960 1.00 0.00 O ATOM 0 H GLY A 16 -2.876 7.487 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.760 6.009 -1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.100 7.149 -0.581 1.00 0.00 H new ATOM 218 N GLY A 17 -6.614 7.497 -2.922 1.00 0.00 N ATOM 219 CA GLY A 17 -7.420 8.261 -3.855 1.00 0.00 C ATOM 220 C GLY A 17 -8.901 7.966 -3.718 1.00 0.00 C ATOM 221 O GLY A 17 -9.371 7.590 -2.643 1.00 0.00 O ATOM 0 H GLY A 17 -7.042 6.631 -2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.248 9.325 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.101 8.038 -4.873 1.00 0.00 H new ATOM 225 N THR A 18 -9.641 8.138 -4.809 1.00 0.00 N ATOM 226 CA THR A 18 -11.077 7.890 -4.806 1.00 0.00 C ATOM 227 C THR A 18 -11.515 7.176 -6.079 1.00 0.00 C ATOM 228 O THR A 18 -11.422 7.727 -7.176 1.00 0.00 O ATOM 229 CB THR A 18 -11.873 9.202 -4.667 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.357 9.975 -3.577 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.350 8.918 -4.440 1.00 0.00 C ATOM 0 H THR A 18 -9.269 8.448 -5.707 1.00 0.00 H new ATOM 0 HA THR A 18 -11.286 7.254 -3.946 1.00 0.00 H new ATOM 0 HB THR A 18 -11.767 9.766 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 18 -12.100 10.386 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.891 9.859 -4.345 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.746 8.355 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.472 8.335 -3.527 1.00 0.00 H new ATOM 239 N VAL A 19 -11.994 5.945 -5.927 1.00 0.00 N ATOM 240 CA VAL A 19 -12.449 5.155 -7.065 1.00 0.00 C ATOM 241 C VAL A 19 -13.959 4.953 -7.025 1.00 0.00 C ATOM 242 O VAL A 19 -14.544 4.768 -5.958 1.00 0.00 O ATOM 243 CB VAL A 19 -11.758 3.779 -7.104 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.147 2.952 -5.889 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.105 3.046 -8.391 1.00 0.00 C ATOM 0 H VAL A 19 -12.077 5.473 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.184 5.712 -7.964 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.679 3.932 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.649 1.983 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.844 3.474 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.227 2.805 -5.880 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.609 2.076 -8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.184 2.902 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.771 3.634 -9.246 1.00 0.00 H new ATOM 255 N LYS A 20 -14.586 4.990 -8.196 1.00 0.00 N ATOM 256 CA LYS A 20 -16.029 4.809 -8.297 1.00 0.00 C ATOM 257 C LYS A 20 -16.410 3.346 -8.089 1.00 0.00 C ATOM 258 O LYS A 20 -15.595 2.447 -8.293 1.00 0.00 O ATOM 259 CB LYS A 20 -16.530 5.287 -9.662 1.00 0.00 C ATOM 260 CG LYS A 20 -18.030 5.516 -9.714 1.00 0.00 C ATOM 261 CD LYS A 20 -18.437 6.730 -8.896 1.00 0.00 C ATOM 262 CE LYS A 20 -17.976 8.024 -9.550 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.601 8.224 -10.886 1.00 0.00 N ATOM 0 H LYS A 20 -14.117 5.144 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.500 5.404 -7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.020 6.215 -9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.257 4.551 -10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.343 5.652 -10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.547 4.633 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.521 6.746 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -18.011 6.655 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.224 8.866 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.891 8.011 -9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.500 9.219 -11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.130 7.615 -11.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.610 7.978 -10.837 1.00 0.00 H new ATOM 277 N VAL A 21 -17.655 3.116 -7.681 1.00 0.00 N ATOM 278 CA VAL A 21 -18.144 1.763 -7.448 1.00 0.00 C ATOM 279 C VAL A 21 -18.151 0.950 -8.738 1.00 0.00 C ATOM 280 O VAL A 21 -18.856 1.282 -9.689 1.00 0.00 O ATOM 281 CB VAL A 21 -19.566 1.775 -6.854 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.161 0.375 -6.865 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.549 2.345 -5.444 1.00 0.00 C ATOM 0 H VAL A 21 -18.342 3.849 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.463 1.299 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.194 2.416 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.165 0.403 -6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.209 0.008 -7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.535 -0.291 -6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.561 2.346 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.906 1.732 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.167 3.366 -5.469 1.00 0.00 H new ATOM 293 N GLY A 22 -17.359 -0.118 -8.762 1.00 0.00 N ATOM 294 CA GLY A 22 -17.288 -0.962 -9.940 1.00 0.00 C ATOM 295 C GLY A 22 -16.088 -0.645 -10.810 1.00 0.00 C ATOM 296 O GLY A 22 -15.777 -1.384 -11.743 1.00 0.00 O ATOM 0 H GLY A 22 -16.766 -0.413 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.244 -2.007 -9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.199 -0.841 -10.525 1.00 0.00 H new ATOM 300 N GLU A 23 -15.413 0.459 -10.504 1.00 0.00 N ATOM 301 CA GLU A 23 -14.241 0.873 -11.268 1.00 0.00 C ATOM 302 C GLU A 23 -13.002 0.100 -10.825 1.00 0.00 C ATOM 303 O GLU A 23 -13.074 -0.758 -9.945 1.00 0.00 O ATOM 304 CB GLU A 23 -14.004 2.376 -11.104 1.00 0.00 C ATOM 305 CG GLU A 23 -14.746 3.224 -12.123 1.00 0.00 C ATOM 306 CD GLU A 23 -14.409 4.698 -12.012 1.00 0.00 C ATOM 307 OE1 GLU A 23 -13.301 5.020 -11.534 1.00 0.00 O ATOM 308 OE2 GLU A 23 -15.255 5.530 -12.402 1.00 0.00 O ATOM 0 H GLU A 23 -15.657 1.082 -9.734 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.428 0.654 -12.319 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.310 2.676 -10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.936 2.578 -11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.504 2.874 -13.127 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.819 3.090 -11.989 1.00 0.00 H new ATOM 315 N ASP A 24 -11.868 0.409 -11.442 1.00 0.00 N ATOM 316 CA ASP A 24 -10.612 -0.255 -11.112 1.00 0.00 C ATOM 317 C ASP A 24 -9.512 0.766 -10.840 1.00 0.00 C ATOM 318 O ASP A 24 -9.178 1.579 -11.703 1.00 0.00 O ATOM 319 CB ASP A 24 -10.190 -1.187 -12.249 1.00 0.00 C ATOM 320 CG ASP A 24 -9.808 -0.430 -13.506 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.709 -0.141 -14.321 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.608 -0.128 -13.676 1.00 0.00 O ATOM 0 H ASP A 24 -11.792 1.115 -12.174 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.767 -0.844 -10.208 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.345 -1.794 -11.923 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.007 -1.873 -12.475 1.00 0.00 H new ATOM 327 N ILE A 25 -8.954 0.719 -9.635 1.00 0.00 N ATOM 328 CA ILE A 25 -7.892 1.640 -9.249 1.00 0.00 C ATOM 329 C ILE A 25 -6.628 0.886 -8.851 1.00 0.00 C ATOM 330 O ILE A 25 -6.691 -0.251 -8.381 1.00 0.00 O ATOM 331 CB ILE A 25 -8.327 2.543 -8.080 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.197 3.502 -7.699 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.738 1.698 -6.883 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.680 4.773 -7.036 1.00 0.00 C ATOM 0 H ILE A 25 -9.220 0.053 -8.909 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.682 2.262 -10.119 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.187 3.133 -8.397 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.508 2.990 -7.027 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.634 3.761 -8.595 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.043 2.350 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.571 1.052 -7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.895 1.085 -6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.825 5.405 -6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.345 5.307 -7.714 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.218 4.524 -6.121 1.00 0.00 H new ATOM 346 N THR A 26 -5.478 1.526 -9.042 1.00 0.00 N ATOM 347 CA THR A 26 -4.199 0.917 -8.702 1.00 0.00 C ATOM 348 C THR A 26 -3.321 1.883 -7.915 1.00 0.00 C ATOM 349 O THR A 26 -3.334 3.090 -8.160 1.00 0.00 O ATOM 350 CB THR A 26 -3.440 0.464 -9.964 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.335 -0.203 -10.861 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.292 -0.466 -9.601 1.00 0.00 C ATOM 0 H THR A 26 -5.407 2.466 -9.431 1.00 0.00 H new ATOM 0 HA THR A 26 -4.418 0.045 -8.085 1.00 0.00 H new ATOM 0 HB THR A 26 -3.030 1.349 -10.451 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.845 -0.486 -11.661 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.771 -0.772 -10.508 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.597 0.054 -8.942 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.684 -1.347 -9.093 1.00 0.00 H new ATOM 360 N PHE A 27 -2.558 1.346 -6.969 1.00 0.00 N ATOM 361 CA PHE A 27 -1.674 2.161 -6.145 1.00 0.00 C ATOM 362 C PHE A 27 -0.210 1.852 -6.448 1.00 0.00 C ATOM 363 O PHE A 27 0.117 0.778 -6.952 1.00 0.00 O ATOM 364 CB PHE A 27 -1.960 1.923 -4.661 1.00 0.00 C ATOM 365 CG PHE A 27 -3.396 2.152 -4.284 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.331 1.138 -4.420 1.00 0.00 C ATOM 367 CD2 PHE A 27 -3.811 3.380 -3.795 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.654 1.345 -4.073 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.132 3.592 -3.446 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.054 2.574 -3.587 1.00 0.00 C ATOM 0 H PHE A 27 -2.534 0.349 -6.754 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.863 3.208 -6.380 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.684 0.900 -4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.327 2.582 -4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.023 0.175 -4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.095 4.181 -3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.373 0.547 -4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.442 4.553 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.087 2.739 -3.318 1.00 0.00 H new ATOM 380 N ILE A 28 0.665 2.802 -6.136 1.00 0.00 N ATOM 381 CA ILE A 28 2.093 2.632 -6.374 1.00 0.00 C ATOM 382 C ILE A 28 2.876 2.665 -5.066 1.00 0.00 C ATOM 383 O ILE A 28 2.597 3.476 -4.184 1.00 0.00 O ATOM 384 CB ILE A 28 2.641 3.721 -7.315 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.985 3.613 -8.693 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.154 3.607 -7.432 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.236 2.289 -9.380 1.00 0.00 C ATOM 0 H ILE A 28 0.410 3.697 -5.718 1.00 0.00 H new ATOM 0 HA ILE A 28 2.220 1.658 -6.846 1.00 0.00 H new ATOM 0 HB ILE A 28 2.401 4.698 -6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.910 3.760 -8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.356 4.418 -9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.527 4.383 -8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.605 3.729 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.415 2.627 -7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.741 2.284 -10.351 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.308 2.148 -9.518 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.840 1.480 -8.767 1.00 0.00 H new ATOM 399 N ALA A 29 3.859 1.778 -4.948 1.00 0.00 N ATOM 400 CA ALA A 29 4.685 1.707 -3.750 1.00 0.00 C ATOM 401 C ALA A 29 6.040 1.077 -4.053 1.00 0.00 C ATOM 402 O ALA A 29 6.125 -0.104 -4.391 1.00 0.00 O ATOM 403 CB ALA A 29 3.969 0.924 -2.660 1.00 0.00 C ATOM 0 H ALA A 29 4.102 1.098 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 29 4.857 2.724 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.598 0.879 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.029 1.418 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.766 -0.087 -3.012 1.00 0.00 H new ATOM 409 N LYS A 30 7.098 1.871 -3.932 1.00 0.00 N ATOM 410 CA LYS A 30 8.450 1.392 -4.192 1.00 0.00 C ATOM 411 C LYS A 30 9.280 1.383 -2.913 1.00 0.00 C ATOM 412 O LYS A 30 8.972 2.094 -1.956 1.00 0.00 O ATOM 413 CB LYS A 30 9.129 2.267 -5.248 1.00 0.00 C ATOM 414 CG LYS A 30 8.912 1.783 -6.671 1.00 0.00 C ATOM 415 CD LYS A 30 8.901 2.938 -7.657 1.00 0.00 C ATOM 416 CE LYS A 30 7.540 3.615 -7.707 1.00 0.00 C ATOM 417 NZ LYS A 30 7.468 4.637 -8.788 1.00 0.00 N ATOM 0 H LYS A 30 7.045 2.851 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 30 8.381 0.370 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.754 3.286 -5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.199 2.302 -5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.700 1.080 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.968 1.242 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.661 3.667 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.164 2.573 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.766 2.864 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.334 4.087 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.525 5.075 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.189 5.368 -8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.639 4.182 -9.708 1.00 0.00 H new ATOM 431 N VAL A 31 10.336 0.575 -2.903 1.00 0.00 N ATOM 432 CA VAL A 31 11.212 0.476 -1.742 1.00 0.00 C ATOM 433 C VAL A 31 12.676 0.415 -2.162 1.00 0.00 C ATOM 434 O VAL A 31 13.022 -0.218 -3.159 1.00 0.00 O ATOM 435 CB VAL A 31 10.881 -0.766 -0.893 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.176 -2.039 -1.671 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.657 -0.739 0.415 1.00 0.00 C ATOM 0 H VAL A 31 10.605 -0.020 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 31 11.046 1.371 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 31 9.817 -0.751 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.936 -2.906 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.571 -2.060 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.232 -2.065 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.411 -1.624 1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.726 -0.730 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.391 0.156 0.978 1.00 0.00 H new ATOM 447 N LYS A 32 13.534 1.078 -1.394 1.00 0.00 N ATOM 448 CA LYS A 32 14.963 1.099 -1.684 1.00 0.00 C ATOM 449 C LYS A 32 15.618 -0.221 -1.289 1.00 0.00 C ATOM 450 O LYS A 32 15.631 -0.591 -0.116 1.00 0.00 O ATOM 451 CB LYS A 32 15.638 2.257 -0.944 1.00 0.00 C ATOM 452 CG LYS A 32 16.992 2.638 -1.517 1.00 0.00 C ATOM 453 CD LYS A 32 16.852 3.590 -2.693 1.00 0.00 C ATOM 454 CE LYS A 32 17.982 3.407 -3.695 1.00 0.00 C ATOM 455 NZ LYS A 32 19.159 4.257 -3.365 1.00 0.00 N ATOM 0 H LYS A 32 13.264 1.608 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 32 15.088 1.240 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.982 3.127 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.760 1.985 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.599 3.104 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.519 1.739 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.895 3.422 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.847 4.618 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.284 2.360 -3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.625 3.654 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.907 4.103 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.877 5.258 -3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.516 4.004 -2.422 1.00 0.00 H new ATOM 469 N ALA A 33 16.162 -0.925 -2.276 1.00 0.00 N ATOM 470 CA ALA A 33 16.822 -2.201 -2.031 1.00 0.00 C ATOM 471 C ALA A 33 18.308 -2.123 -2.361 1.00 0.00 C ATOM 472 O ALA A 33 18.720 -1.360 -3.234 1.00 0.00 O ATOM 473 CB ALA A 33 16.156 -3.303 -2.841 1.00 0.00 C ATOM 0 H ALA A 33 16.159 -0.633 -3.253 1.00 0.00 H new ATOM 0 HA ALA A 33 16.725 -2.435 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.659 -4.251 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.108 -3.383 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.223 -3.066 -3.903 1.00 0.00 H new ATOM 479 N GLU A 34 19.109 -2.917 -1.657 1.00 0.00 N ATOM 480 CA GLU A 34 20.550 -2.935 -1.875 1.00 0.00 C ATOM 481 C GLU A 34 21.015 -4.317 -2.328 1.00 0.00 C ATOM 482 O GLU A 34 21.848 -4.440 -3.225 1.00 0.00 O ATOM 483 CB GLU A 34 21.288 -2.531 -0.597 1.00 0.00 C ATOM 484 CG GLU A 34 20.883 -1.166 -0.067 1.00 0.00 C ATOM 485 CD GLU A 34 21.488 -0.865 1.291 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.212 -1.622 2.245 1.00 0.00 O ATOM 487 OE2 GLU A 34 22.237 0.129 1.399 1.00 0.00 O ATOM 0 H GLU A 34 18.784 -3.556 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 34 20.781 -2.216 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.102 -3.280 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.361 -2.533 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.192 -0.398 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.796 -1.116 0.004 1.00 0.00 H new ATOM 494 N ASP A 35 20.469 -5.353 -1.699 1.00 0.00 N ATOM 495 CA ASP A 35 20.826 -6.726 -2.037 1.00 0.00 C ATOM 496 C ASP A 35 19.869 -7.295 -3.080 1.00 0.00 C ATOM 497 O ASP A 35 18.766 -6.783 -3.271 1.00 0.00 O ATOM 498 CB ASP A 35 20.813 -7.601 -0.783 1.00 0.00 C ATOM 499 CG ASP A 35 21.667 -8.845 -0.937 1.00 0.00 C ATOM 500 OD1 ASP A 35 22.846 -8.710 -1.326 1.00 0.00 O ATOM 501 OD2 ASP A 35 21.156 -9.953 -0.669 1.00 0.00 O ATOM 0 H ASP A 35 19.778 -5.268 -0.953 1.00 0.00 H new ATOM 0 HA ASP A 35 21.832 -6.722 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 35 21.172 -7.020 0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 35 19.787 -7.893 -0.558 1.00 0.00 H new ATOM 506 N LEU A 36 20.300 -8.357 -3.753 1.00 0.00 N ATOM 507 CA LEU A 36 19.482 -8.996 -4.778 1.00 0.00 C ATOM 508 C LEU A 36 18.993 -10.363 -4.310 1.00 0.00 C ATOM 509 O LEU A 36 17.856 -10.753 -4.578 1.00 0.00 O ATOM 510 CB LEU A 36 20.278 -9.143 -6.075 1.00 0.00 C ATOM 511 CG LEU A 36 20.949 -7.872 -6.599 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.513 -8.102 -7.993 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.963 -6.713 -6.605 1.00 0.00 C ATOM 0 H LEU A 36 21.210 -8.793 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 36 18.614 -8.363 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 36 21.048 -9.899 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.609 -9.521 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 36 21.774 -7.618 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.986 -7.187 -8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.251 -8.903 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.706 -8.381 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.457 -5.817 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 36 19.118 -6.958 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.607 -6.533 -5.591 1.00 0.00 H new ATOM 525 N LEU A 37 19.858 -11.086 -3.608 1.00 0.00 N ATOM 526 CA LEU A 37 19.514 -12.410 -3.100 1.00 0.00 C ATOM 527 C LEU A 37 18.256 -12.353 -2.240 1.00 0.00 C ATOM 528 O LEU A 37 17.438 -13.273 -2.256 1.00 0.00 O ATOM 529 CB LEU A 37 20.676 -12.984 -2.288 1.00 0.00 C ATOM 530 CG LEU A 37 21.882 -13.470 -3.092 1.00 0.00 C ATOM 531 CD1 LEU A 37 21.472 -14.571 -4.057 1.00 0.00 C ATOM 532 CD2 LEU A 37 22.523 -12.312 -3.843 1.00 0.00 C ATOM 0 H LEU A 37 20.803 -10.778 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 37 19.319 -13.060 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 37 21.015 -12.221 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.301 -13.817 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 37 22.616 -13.879 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 37 22.344 -14.904 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.059 -15.410 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.719 -14.189 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 37 23.380 -12.676 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 37 21.795 -11.874 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.854 -11.555 -3.131 1.00 0.00 H new ATOM 544 N ARG A 38 18.107 -11.265 -1.490 1.00 0.00 N ATOM 545 CA ARG A 38 16.948 -11.088 -0.624 1.00 0.00 C ATOM 546 C ARG A 38 15.898 -10.206 -1.294 1.00 0.00 C ATOM 547 O ARG A 38 16.225 -9.338 -2.103 1.00 0.00 O ATOM 548 CB ARG A 38 17.371 -10.470 0.710 1.00 0.00 C ATOM 549 CG ARG A 38 18.667 -11.041 1.261 1.00 0.00 C ATOM 550 CD ARG A 38 18.427 -12.336 2.021 1.00 0.00 C ATOM 551 NE ARG A 38 18.315 -13.484 1.125 1.00 0.00 N ATOM 552 CZ ARG A 38 19.362 -14.143 0.642 1.00 0.00 C ATOM 553 NH1 ARG A 38 20.592 -13.771 0.968 1.00 0.00 N ATOM 554 NH2 ARG A 38 19.180 -15.178 -0.169 1.00 0.00 N ATOM 0 H ARG A 38 18.774 -10.494 -1.465 1.00 0.00 H new ATOM 0 HA ARG A 38 16.510 -12.069 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.483 -9.393 0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.577 -10.624 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.363 -11.222 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.135 -10.312 1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 38 19.245 -12.502 2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.515 -12.246 2.611 1.00 0.00 H new ATOM 0 HE ARG A 38 17.382 -13.796 0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 38 20.736 -12.977 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.394 -14.279 0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.235 -15.468 -0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.985 -15.683 -0.539 1.00 0.00 H new ATOM 568 N LYS A 39 14.634 -10.436 -0.953 1.00 0.00 N ATOM 569 CA LYS A 39 13.535 -9.664 -1.520 1.00 0.00 C ATOM 570 C LYS A 39 12.503 -9.320 -0.451 1.00 0.00 C ATOM 571 O LYS A 39 11.992 -10.190 0.255 1.00 0.00 O ATOM 572 CB LYS A 39 12.869 -10.445 -2.655 1.00 0.00 C ATOM 573 CG LYS A 39 11.531 -9.868 -3.086 1.00 0.00 C ATOM 574 CD LYS A 39 10.722 -10.874 -3.886 1.00 0.00 C ATOM 575 CE LYS A 39 11.370 -11.169 -5.231 1.00 0.00 C ATOM 576 NZ LYS A 39 10.864 -12.438 -5.824 1.00 0.00 N ATOM 0 H LYS A 39 14.346 -11.152 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 39 13.943 -8.735 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.540 -10.465 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.725 -11.478 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.965 -9.562 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.696 -8.973 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.625 -11.799 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.714 -10.489 -4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.175 -10.345 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.451 -11.232 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.329 -12.603 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.073 -13.229 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.836 -12.369 -5.966 1.00 0.00 H new ATOM 590 N PRO A 40 12.188 -8.022 -0.327 1.00 0.00 N ATOM 591 CA PRO A 40 11.213 -7.535 0.653 1.00 0.00 C ATOM 592 C PRO A 40 9.786 -7.949 0.307 1.00 0.00 C ATOM 593 O PRO A 40 9.430 -8.067 -0.866 1.00 0.00 O ATOM 594 CB PRO A 40 11.361 -6.013 0.574 1.00 0.00 C ATOM 595 CG PRO A 40 11.886 -5.754 -0.796 1.00 0.00 C ATOM 596 CD PRO A 40 12.758 -6.931 -1.135 1.00 0.00 C ATOM 0 HA PRO A 40 11.395 -7.945 1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.405 -5.514 0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.045 -5.642 1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.072 -5.652 -1.513 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.455 -4.825 -0.827 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.726 -7.161 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.801 -6.745 -0.880 1.00 0.00 H new ATOM 604 N THR A 41 8.973 -8.169 1.335 1.00 0.00 N ATOM 605 CA THR A 41 7.586 -8.571 1.140 1.00 0.00 C ATOM 606 C THR A 41 6.627 -7.472 1.582 1.00 0.00 C ATOM 607 O THR A 41 6.823 -6.847 2.625 1.00 0.00 O ATOM 608 CB THR A 41 7.261 -9.862 1.916 1.00 0.00 C ATOM 609 OG1 THR A 41 8.253 -10.859 1.645 1.00 0.00 O ATOM 610 CG2 THR A 41 5.886 -10.391 1.535 1.00 0.00 C ATOM 0 H THR A 41 9.252 -8.075 2.312 1.00 0.00 H new ATOM 0 HA THR A 41 7.458 -8.754 0.073 1.00 0.00 H new ATOM 0 HB THR A 41 7.261 -9.630 2.981 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.040 -11.676 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.679 -11.303 2.095 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.130 -9.641 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.863 -10.608 0.467 1.00 0.00 H new ATOM 618 N ILE A 42 5.591 -7.241 0.784 1.00 0.00 N ATOM 619 CA ILE A 42 4.600 -6.218 1.095 1.00 0.00 C ATOM 620 C ILE A 42 3.244 -6.841 1.407 1.00 0.00 C ATOM 621 O ILE A 42 2.809 -7.776 0.735 1.00 0.00 O ATOM 622 CB ILE A 42 4.439 -5.219 -0.067 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.531 -4.060 0.350 1.00 0.00 C ATOM 624 CG2 ILE A 42 3.879 -5.922 -1.295 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.819 -2.772 -0.387 1.00 0.00 C ATOM 0 H ILE A 42 5.415 -7.748 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 42 4.962 -5.685 1.974 1.00 0.00 H new ATOM 0 HB ILE A 42 5.420 -4.815 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.492 -4.343 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.642 -3.889 1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.771 -5.204 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.559 -6.717 -1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.905 -6.350 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.138 -1.995 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.847 -2.465 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.680 -2.926 -1.457 1.00 0.00 H new ATOM 637 N LYS A 43 2.579 -6.316 2.431 1.00 0.00 N ATOM 638 CA LYS A 43 1.270 -6.818 2.831 1.00 0.00 C ATOM 639 C LYS A 43 0.257 -5.682 2.923 1.00 0.00 C ATOM 640 O LYS A 43 0.410 -4.765 3.729 1.00 0.00 O ATOM 641 CB LYS A 43 1.368 -7.538 4.178 1.00 0.00 C ATOM 642 CG LYS A 43 0.220 -8.497 4.440 1.00 0.00 C ATOM 643 CD LYS A 43 0.492 -9.868 3.844 1.00 0.00 C ATOM 644 CE LYS A 43 1.544 -10.624 4.641 1.00 0.00 C ATOM 645 NZ LYS A 43 2.283 -11.602 3.796 1.00 0.00 N ATOM 0 H LYS A 43 2.925 -5.543 2.999 1.00 0.00 H new ATOM 0 HA LYS A 43 0.931 -7.523 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.307 -8.089 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.400 -6.796 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.061 -8.591 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.699 -8.091 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.432 -10.445 3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.826 -9.758 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.248 -9.915 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.066 -11.148 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.991 -12.097 4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.615 -12.294 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.761 -11.100 3.021 1.00 0.00 H new ATOM 659 N TRP A 44 -0.778 -5.751 2.093 1.00 0.00 N ATOM 660 CA TRP A 44 -1.818 -4.728 2.082 1.00 0.00 C ATOM 661 C TRP A 44 -2.934 -5.076 3.060 1.00 0.00 C ATOM 662 O TRP A 44 -3.374 -6.223 3.133 1.00 0.00 O ATOM 663 CB TRP A 44 -2.389 -4.568 0.672 1.00 0.00 C ATOM 664 CG TRP A 44 -1.345 -4.276 -0.363 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.519 -5.178 -0.970 1.00 0.00 C ATOM 666 CD2 TRP A 44 -1.015 -2.995 -0.909 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.305 -4.534 -1.862 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.020 -3.195 -1.843 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.494 -1.698 -0.702 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.583 -2.146 -2.566 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.934 -0.659 -1.419 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.095 -0.887 -2.343 1.00 0.00 C ATOM 0 H TRP A 44 -0.919 -6.504 1.419 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.369 -3.785 2.394 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.918 -5.480 0.397 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.123 -3.762 0.674 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.514 -6.241 -0.778 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.014 -4.981 -2.444 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.288 -1.512 0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.377 -2.320 -3.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.295 0.347 -1.265 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.511 -0.053 -2.889 1.00 0.00 H new ATOM 683 N PHE A 45 -3.389 -4.078 3.811 1.00 0.00 N ATOM 684 CA PHE A 45 -4.455 -4.280 4.786 1.00 0.00 C ATOM 685 C PHE A 45 -5.555 -3.237 4.613 1.00 0.00 C ATOM 686 O PHE A 45 -5.412 -2.289 3.841 1.00 0.00 O ATOM 687 CB PHE A 45 -3.893 -4.214 6.208 1.00 0.00 C ATOM 688 CG PHE A 45 -3.129 -5.444 6.609 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.775 -6.509 7.215 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.766 -5.534 6.380 1.00 0.00 C ATOM 691 CE1 PHE A 45 -3.075 -7.643 7.584 1.00 0.00 C ATOM 692 CE2 PHE A 45 -1.061 -6.664 6.747 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.716 -7.720 7.351 1.00 0.00 C ATOM 0 H PHE A 45 -3.036 -3.122 3.763 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.885 -5.267 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.239 -3.346 6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.715 -4.062 6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.837 -6.453 7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.248 -4.711 5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.591 -8.468 8.054 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.001 -6.722 6.562 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.166 -8.604 7.640 1.00 0.00 H new ATOM 703 N LYS A 46 -6.654 -3.420 5.337 1.00 0.00 N ATOM 704 CA LYS A 46 -7.780 -2.496 5.265 1.00 0.00 C ATOM 705 C LYS A 46 -8.626 -2.571 6.532 1.00 0.00 C ATOM 706 O LYS A 46 -8.764 -3.633 7.137 1.00 0.00 O ATOM 707 CB LYS A 46 -8.645 -2.808 4.042 1.00 0.00 C ATOM 708 CG LYS A 46 -9.936 -2.009 3.991 1.00 0.00 C ATOM 709 CD LYS A 46 -9.668 -0.529 3.780 1.00 0.00 C ATOM 710 CE LYS A 46 -10.955 0.282 3.820 1.00 0.00 C ATOM 711 NZ LYS A 46 -11.690 0.093 5.101 1.00 0.00 N ATOM 0 H LYS A 46 -6.789 -4.200 5.980 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.383 -1.485 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.068 -2.609 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.885 -3.871 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.565 -2.384 3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.489 -2.151 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.985 -0.168 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.173 -0.381 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.723 1.339 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.595 -0.011 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.552 0.675 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.949 -0.909 5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.083 0.380 5.895 1.00 0.00 H new ATOM 725 N GLY A 47 -9.193 -1.435 6.928 1.00 0.00 N ATOM 726 CA GLY A 47 -10.020 -1.395 8.120 1.00 0.00 C ATOM 727 C GLY A 47 -9.223 -1.637 9.387 1.00 0.00 C ATOM 728 O GLY A 47 -8.162 -1.045 9.586 1.00 0.00 O ATOM 0 H GLY A 47 -9.094 -0.542 6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.513 -0.425 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.805 -2.147 8.039 1.00 0.00 H new ATOM 732 N LYS A 48 -9.735 -2.510 10.248 1.00 0.00 N ATOM 733 CA LYS A 48 -9.066 -2.831 11.503 1.00 0.00 C ATOM 734 C LYS A 48 -8.389 -4.196 11.425 1.00 0.00 C ATOM 735 O LYS A 48 -7.212 -4.335 11.759 1.00 0.00 O ATOM 736 CB LYS A 48 -10.069 -2.812 12.659 1.00 0.00 C ATOM 737 CG LYS A 48 -9.457 -2.402 13.987 1.00 0.00 C ATOM 738 CD LYS A 48 -8.757 -3.569 14.663 1.00 0.00 C ATOM 739 CE LYS A 48 -7.838 -3.097 15.779 1.00 0.00 C ATOM 740 NZ LYS A 48 -8.603 -2.593 16.953 1.00 0.00 N ATOM 0 H LYS A 48 -10.612 -3.008 10.099 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.301 -2.075 11.682 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.880 -2.126 12.415 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.511 -3.803 12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.744 -1.593 13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.236 -2.014 14.643 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.501 -4.255 15.068 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.179 -4.125 13.925 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.194 -3.919 16.091 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.187 -2.307 15.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.940 -2.281 17.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.199 -1.792 16.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.205 -3.354 17.327 1.00 0.00 H new ATOM 754 N TRP A 49 -9.139 -5.198 10.982 1.00 0.00 N ATOM 755 CA TRP A 49 -8.610 -6.552 10.859 1.00 0.00 C ATOM 756 C TRP A 49 -8.556 -6.985 9.399 1.00 0.00 C ATOM 757 O TRP A 49 -7.641 -7.697 8.987 1.00 0.00 O ATOM 758 CB TRP A 49 -9.467 -7.531 11.663 1.00 0.00 C ATOM 759 CG TRP A 49 -9.924 -6.978 12.980 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.924 -6.071 13.185 1.00 0.00 C ATOM 761 CD2 TRP A 49 -9.396 -7.296 14.272 1.00 0.00 C ATOM 762 NE1 TRP A 49 -11.049 -5.806 14.527 1.00 0.00 N ATOM 763 CE2 TRP A 49 -10.124 -6.545 15.215 1.00 0.00 C ATOM 764 CE3 TRP A 49 -8.381 -8.143 14.724 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -9.867 -6.617 16.582 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -8.126 -8.213 16.081 1.00 0.00 C ATOM 767 CH2 TRP A 49 -8.867 -7.454 16.997 1.00 0.00 C ATOM 0 H TRP A 49 -10.115 -5.099 10.702 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.595 -6.556 11.257 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.339 -7.809 11.072 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.896 -8.443 11.838 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -11.528 -5.627 12.407 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -11.722 -5.163 14.944 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.806 -8.733 14.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.437 -6.033 17.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.343 -8.863 16.441 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.644 -7.531 18.051 1.00 0.00 H new ATOM 778 N MET A 50 -9.542 -6.551 8.620 1.00 0.00 N ATOM 779 CA MET A 50 -9.604 -6.894 7.204 1.00 0.00 C ATOM 780 C MET A 50 -8.226 -6.791 6.559 1.00 0.00 C ATOM 781 O MET A 50 -7.636 -5.712 6.500 1.00 0.00 O ATOM 782 CB MET A 50 -10.590 -5.976 6.478 1.00 0.00 C ATOM 783 CG MET A 50 -11.257 -6.628 5.278 1.00 0.00 C ATOM 784 SD MET A 50 -11.980 -5.425 4.146 1.00 0.00 S ATOM 785 CE MET A 50 -10.715 -5.348 2.881 1.00 0.00 C ATOM 0 H MET A 50 -10.308 -5.962 8.945 1.00 0.00 H new ATOM 0 HA MET A 50 -9.949 -7.925 7.120 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.359 -5.654 7.180 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.064 -5.080 6.149 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.523 -7.230 4.742 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.035 -7.308 5.625 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.686 -4.345 2.456 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.746 -5.584 3.321 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.942 -6.068 2.095 1.00 0.00 H new ATOM 795 N ASP A 51 -7.719 -7.920 6.076 1.00 0.00 N ATOM 796 CA ASP A 51 -6.410 -7.957 5.434 1.00 0.00 C ATOM 797 C ASP A 51 -6.548 -8.188 3.932 1.00 0.00 C ATOM 798 O ASP A 51 -6.773 -9.314 3.485 1.00 0.00 O ATOM 799 CB ASP A 51 -5.544 -9.054 6.054 1.00 0.00 C ATOM 800 CG ASP A 51 -4.176 -9.146 5.409 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.678 -8.109 4.923 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.602 -10.255 5.392 1.00 0.00 O ATOM 0 H ASP A 51 -8.194 -8.822 6.117 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.928 -6.992 5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.427 -8.861 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.053 -10.013 5.957 1.00 0.00 H new ATOM 807 N LEU A 52 -6.412 -7.117 3.159 1.00 0.00 N ATOM 808 CA LEU A 52 -6.522 -7.203 1.707 1.00 0.00 C ATOM 809 C LEU A 52 -5.683 -8.356 1.164 1.00 0.00 C ATOM 810 O LEU A 52 -6.059 -9.003 0.187 1.00 0.00 O ATOM 811 CB LEU A 52 -6.079 -5.888 1.063 1.00 0.00 C ATOM 812 CG LEU A 52 -6.782 -4.625 1.564 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.182 -3.388 0.915 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.276 -4.703 1.289 1.00 0.00 C ATOM 0 H LEU A 52 -6.225 -6.179 3.513 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.567 -7.389 1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.007 -5.771 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.234 -5.963 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.635 -4.552 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.694 -2.499 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.122 -3.325 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.298 -3.452 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.761 -3.797 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.444 -4.800 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.696 -5.569 1.802 1.00 0.00 H new ATOM 826 N ALA A 53 -4.547 -8.607 1.805 1.00 0.00 N ATOM 827 CA ALA A 53 -3.657 -9.684 1.390 1.00 0.00 C ATOM 828 C ALA A 53 -4.441 -10.956 1.085 1.00 0.00 C ATOM 829 O ALA A 53 -4.297 -11.544 0.013 1.00 0.00 O ATOM 830 CB ALA A 53 -2.613 -9.950 2.464 1.00 0.00 C ATOM 0 H ALA A 53 -4.221 -8.079 2.614 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.151 -9.372 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.955 -10.757 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.025 -9.048 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.110 -10.237 3.391 1.00 0.00 H new ATOM 836 N SER A 54 -5.270 -11.377 2.035 1.00 0.00 N ATOM 837 CA SER A 54 -6.073 -12.583 1.869 1.00 0.00 C ATOM 838 C SER A 54 -7.277 -12.315 0.972 1.00 0.00 C ATOM 839 O SER A 54 -7.870 -13.239 0.415 1.00 0.00 O ATOM 840 CB SER A 54 -6.543 -13.099 3.231 1.00 0.00 C ATOM 841 OG SER A 54 -5.631 -12.741 4.255 1.00 0.00 O ATOM 0 H SER A 54 -5.403 -10.901 2.927 1.00 0.00 H new ATOM 0 HA SER A 54 -5.450 -13.342 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.528 -12.691 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.648 -14.183 3.196 1.00 0.00 H new ATOM 0 HG SER A 54 -5.955 -13.081 5.115 1.00 0.00 H new ATOM 847 N LYS A 55 -7.633 -11.042 0.835 1.00 0.00 N ATOM 848 CA LYS A 55 -8.766 -10.649 0.005 1.00 0.00 C ATOM 849 C LYS A 55 -8.398 -10.697 -1.475 1.00 0.00 C ATOM 850 O LYS A 55 -9.267 -10.828 -2.336 1.00 0.00 O ATOM 851 CB LYS A 55 -9.234 -9.241 0.379 1.00 0.00 C ATOM 852 CG LYS A 55 -9.541 -9.075 1.857 1.00 0.00 C ATOM 853 CD LYS A 55 -10.779 -9.858 2.261 1.00 0.00 C ATOM 854 CE LYS A 55 -11.229 -9.502 3.670 1.00 0.00 C ATOM 855 NZ LYS A 55 -12.081 -10.568 4.266 1.00 0.00 N ATOM 0 H LYS A 55 -7.153 -10.265 1.288 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.577 -11.355 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.465 -8.524 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.126 -8.998 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.688 -9.411 2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.688 -8.019 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.586 -9.653 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.570 -10.926 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.355 -9.341 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.783 -8.564 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.367 -10.288 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.928 -10.705 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.544 -11.457 4.311 1.00 0.00 H new ATOM 869 N ALA A 56 -7.104 -10.592 -1.762 1.00 0.00 N ATOM 870 CA ALA A 56 -6.622 -10.627 -3.137 1.00 0.00 C ATOM 871 C ALA A 56 -6.922 -11.972 -3.790 1.00 0.00 C ATOM 872 O ALA A 56 -6.346 -12.995 -3.420 1.00 0.00 O ATOM 873 CB ALA A 56 -5.128 -10.339 -3.180 1.00 0.00 C ATOM 0 H ALA A 56 -6.372 -10.482 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.146 -9.855 -3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.781 -10.368 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.936 -9.351 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.596 -11.091 -2.597 1.00 0.00 H new ATOM 879 N GLY A 57 -7.828 -11.963 -4.763 1.00 0.00 N ATOM 880 CA GLY A 57 -8.189 -13.189 -5.451 1.00 0.00 C ATOM 881 C GLY A 57 -9.000 -12.932 -6.705 1.00 0.00 C ATOM 882 O GLY A 57 -8.663 -13.422 -7.783 1.00 0.00 O ATOM 0 H GLY A 57 -8.318 -11.129 -5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.283 -13.735 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.761 -13.826 -4.776 1.00 0.00 H new ATOM 886 N LYS A 58 -10.075 -12.163 -6.566 1.00 0.00 N ATOM 887 CA LYS A 58 -10.938 -11.842 -7.697 1.00 0.00 C ATOM 888 C LYS A 58 -11.177 -10.338 -7.788 1.00 0.00 C ATOM 889 O LYS A 58 -10.603 -9.659 -8.640 1.00 0.00 O ATOM 890 CB LYS A 58 -12.275 -12.575 -7.569 1.00 0.00 C ATOM 891 CG LYS A 58 -12.316 -13.899 -8.311 1.00 0.00 C ATOM 892 CD LYS A 58 -13.561 -14.697 -7.959 1.00 0.00 C ATOM 893 CE LYS A 58 -13.370 -15.492 -6.678 1.00 0.00 C ATOM 894 NZ LYS A 58 -14.616 -16.199 -6.272 1.00 0.00 N ATOM 0 H LYS A 58 -10.369 -11.750 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.438 -12.169 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.483 -12.753 -6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.070 -11.932 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.292 -13.716 -9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.428 -14.482 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.408 -14.020 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.803 -15.376 -8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.569 -16.218 -6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.056 -14.821 -5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.444 -16.729 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.374 -15.504 -6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.902 -16.858 -7.024 1.00 0.00 H new ATOM 908 N HIS A 59 -12.026 -9.823 -6.905 1.00 0.00 N ATOM 909 CA HIS A 59 -12.339 -8.399 -6.885 1.00 0.00 C ATOM 910 C HIS A 59 -11.088 -7.572 -6.609 1.00 0.00 C ATOM 911 O HIS A 59 -11.062 -6.364 -6.853 1.00 0.00 O ATOM 912 CB HIS A 59 -13.404 -8.104 -5.828 1.00 0.00 C ATOM 913 CG HIS A 59 -14.757 -8.644 -6.174 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.563 -9.504 -5.509 1.00 0.00 N flip ATOM 915 CD2 HIS A 59 -15.430 -8.307 -7.329 1.00 0.00 C flip ATOM 916 CE1 HIS A 59 -16.697 -9.669 -6.266 1.00 0.00 C flip ATOM 917 NE2 HIS A 59 -16.591 -8.936 -7.359 1.00 0.00 N flip ATOM 0 H HIS A 59 -12.510 -10.371 -6.194 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.726 -8.123 -7.866 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.086 -8.527 -4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.477 -7.025 -5.689 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.065 -7.634 -8.090 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.538 -10.296 -6.009 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.288 -8.867 -8.101 1.00 0.00 H new ATOM 926 N LEU A 60 -10.052 -8.228 -6.098 1.00 0.00 N ATOM 927 CA LEU A 60 -8.796 -7.553 -5.787 1.00 0.00 C ATOM 928 C LEU A 60 -7.605 -8.358 -6.296 1.00 0.00 C ATOM 929 O LEU A 60 -7.624 -9.588 -6.282 1.00 0.00 O ATOM 930 CB LEU A 60 -8.672 -7.334 -4.279 1.00 0.00 C ATOM 931 CG LEU A 60 -7.306 -6.862 -3.779 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.239 -5.343 -3.764 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.020 -7.425 -2.394 1.00 0.00 C ATOM 0 H LEU A 60 -10.057 -9.227 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.798 -6.585 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.420 -6.602 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.918 -8.269 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.543 -7.232 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.260 -5.026 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.397 -4.962 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.012 -4.951 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.044 -7.078 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.787 -7.086 -1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.024 -8.514 -2.436 1.00 0.00 H new ATOM 945 N GLN A 61 -6.569 -7.654 -6.743 1.00 0.00 N ATOM 946 CA GLN A 61 -5.369 -8.304 -7.255 1.00 0.00 C ATOM 947 C GLN A 61 -4.135 -7.443 -7.005 1.00 0.00 C ATOM 948 O GLN A 61 -4.078 -6.286 -7.423 1.00 0.00 O ATOM 949 CB GLN A 61 -5.514 -8.586 -8.751 1.00 0.00 C ATOM 950 CG GLN A 61 -6.562 -9.639 -9.073 1.00 0.00 C ATOM 951 CD GLN A 61 -6.073 -11.049 -8.807 1.00 0.00 C ATOM 952 OE1 GLN A 61 -6.652 -11.698 -7.803 1.00 0.00 O flip ATOM 953 NE2 GLN A 61 -5.185 -11.551 -9.497 1.00 0.00 N flip ATOM 0 H GLN A 61 -6.537 -6.635 -6.761 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.244 -9.249 -6.725 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.773 -7.659 -9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.551 -8.911 -9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.456 -9.450 -8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.851 -9.550 -10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.767 -11.016 -10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.867 -12.501 -9.307 1.00 0.00 H new ATOM 962 N LEU A 62 -3.150 -8.014 -6.321 1.00 0.00 N ATOM 963 CA LEU A 62 -1.916 -7.298 -6.015 1.00 0.00 C ATOM 964 C LEU A 62 -0.873 -7.520 -7.106 1.00 0.00 C ATOM 965 O LEU A 62 -0.992 -8.439 -7.917 1.00 0.00 O ATOM 966 CB LEU A 62 -1.361 -7.753 -4.664 1.00 0.00 C ATOM 967 CG LEU A 62 -2.372 -7.842 -3.520 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.722 -8.435 -2.279 1.00 0.00 C ATOM 969 CD2 LEU A 62 -2.955 -6.470 -3.215 1.00 0.00 C ATOM 0 H LEU A 62 -3.181 -8.970 -5.968 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.145 -6.233 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.902 -8.733 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.568 -7.066 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.185 -8.499 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.456 -8.491 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.354 -9.436 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.890 -7.804 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.672 -6.553 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.153 -5.790 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.457 -6.083 -4.101 1.00 0.00 H new ATOM 981 N LYS A 63 0.151 -6.673 -7.119 1.00 0.00 N ATOM 982 CA LYS A 63 1.218 -6.777 -8.107 1.00 0.00 C ATOM 983 C LYS A 63 2.576 -6.497 -7.473 1.00 0.00 C ATOM 984 O LYS A 63 2.674 -5.749 -6.501 1.00 0.00 O ATOM 985 CB LYS A 63 0.970 -5.801 -9.260 1.00 0.00 C ATOM 986 CG LYS A 63 1.371 -6.350 -10.618 1.00 0.00 C ATOM 987 CD LYS A 63 0.203 -7.035 -11.309 1.00 0.00 C ATOM 988 CE LYS A 63 0.390 -7.067 -12.818 1.00 0.00 C ATOM 989 NZ LYS A 63 1.340 -8.135 -13.237 1.00 0.00 N ATOM 0 H LYS A 63 0.264 -5.906 -6.456 1.00 0.00 H new ATOM 0 HA LYS A 63 1.222 -7.795 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.088 -5.538 -9.281 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.523 -4.881 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.741 -5.539 -11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.190 -7.059 -10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.102 -8.053 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.722 -6.512 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.574 -7.229 -13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.758 -6.099 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.440 -8.124 -14.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.267 -7.967 -12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.977 -9.061 -12.934 1.00 0.00 H new ATOM 1003 N GLU A 64 3.621 -7.101 -8.031 1.00 0.00 N ATOM 1004 CA GLU A 64 4.974 -6.914 -7.519 1.00 0.00 C ATOM 1005 C GLU A 64 6.005 -7.086 -8.630 1.00 0.00 C ATOM 1006 O GLU A 64 5.933 -8.028 -9.420 1.00 0.00 O ATOM 1007 CB GLU A 64 5.256 -7.906 -6.388 1.00 0.00 C ATOM 1008 CG GLU A 64 6.735 -8.088 -6.093 1.00 0.00 C ATOM 1009 CD GLU A 64 7.005 -9.250 -5.158 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.256 -9.405 -4.171 1.00 0.00 O ATOM 1011 OE2 GLU A 64 7.967 -10.006 -5.413 1.00 0.00 O ATOM 0 H GLU A 64 3.557 -7.723 -8.837 1.00 0.00 H new ATOM 0 HA GLU A 64 5.051 -5.899 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.753 -7.565 -5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.824 -8.873 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.271 -8.247 -7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.129 -7.172 -5.652 1.00 0.00 H new ATOM 1018 N THR A 65 6.965 -6.168 -8.685 1.00 0.00 N ATOM 1019 CA THR A 65 8.010 -6.216 -9.700 1.00 0.00 C ATOM 1020 C THR A 65 9.336 -5.703 -9.149 1.00 0.00 C ATOM 1021 O THR A 65 9.363 -4.806 -8.305 1.00 0.00 O ATOM 1022 CB THR A 65 7.628 -5.386 -10.940 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.458 -5.750 -12.048 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.770 -3.898 -10.660 1.00 0.00 C ATOM 0 H THR A 65 7.040 -5.383 -8.039 1.00 0.00 H new ATOM 0 HA THR A 65 8.120 -7.261 -9.991 1.00 0.00 H new ATOM 0 HB THR A 65 6.586 -5.596 -11.183 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.208 -5.219 -12.833 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.495 -3.332 -11.550 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.114 -3.619 -9.835 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.803 -3.675 -10.393 1.00 0.00 H new ATOM 1032 N PHE A 66 10.433 -6.277 -9.630 1.00 0.00 N ATOM 1033 CA PHE A 66 11.763 -5.877 -9.185 1.00 0.00 C ATOM 1034 C PHE A 66 12.548 -5.234 -10.324 1.00 0.00 C ATOM 1035 O PHE A 66 12.389 -5.605 -11.487 1.00 0.00 O ATOM 1036 CB PHE A 66 12.527 -7.087 -8.643 1.00 0.00 C ATOM 1037 CG PHE A 66 13.981 -6.812 -8.386 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.366 -5.831 -7.486 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.964 -7.533 -9.046 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.704 -5.575 -7.248 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.302 -7.282 -8.811 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.673 -6.301 -7.912 1.00 0.00 C ATOM 0 H PHE A 66 10.428 -7.021 -10.328 1.00 0.00 H new ATOM 0 HA PHE A 66 11.647 -5.142 -8.388 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.058 -7.417 -7.716 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.441 -7.909 -9.354 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.612 -5.260 -6.964 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.681 -8.300 -9.752 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.991 -4.808 -6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.058 -7.853 -9.330 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.719 -6.102 -7.729 1.00 0.00 H new ATOM 1052 N GLU A 67 13.395 -4.269 -9.981 1.00 0.00 N ATOM 1053 CA GLU A 67 14.204 -3.574 -10.975 1.00 0.00 C ATOM 1054 C GLU A 67 15.674 -3.557 -10.566 1.00 0.00 C ATOM 1055 O GLU A 67 16.125 -2.647 -9.871 1.00 0.00 O ATOM 1056 CB GLU A 67 13.699 -2.141 -11.164 1.00 0.00 C ATOM 1057 CG GLU A 67 12.561 -2.023 -12.164 1.00 0.00 C ATOM 1058 CD GLU A 67 12.112 -0.590 -12.370 1.00 0.00 C ATOM 1059 OE1 GLU A 67 12.987 0.295 -12.485 1.00 0.00 O ATOM 1060 OE2 GLU A 67 10.887 -0.352 -12.416 1.00 0.00 O ATOM 0 H GLU A 67 13.539 -3.951 -9.023 1.00 0.00 H new ATOM 0 HA GLU A 67 14.114 -4.111 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.367 -1.752 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.527 -1.513 -11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.877 -2.442 -13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.716 -2.619 -11.819 1.00 0.00 H new ATOM 1067 N ARG A 68 16.415 -4.571 -11.003 1.00 0.00 N ATOM 1068 CA ARG A 68 17.833 -4.674 -10.681 1.00 0.00 C ATOM 1069 C ARG A 68 18.599 -3.464 -11.207 1.00 0.00 C ATOM 1070 O ARG A 68 19.681 -3.139 -10.715 1.00 0.00 O ATOM 1071 CB ARG A 68 18.419 -5.958 -11.271 1.00 0.00 C ATOM 1072 CG ARG A 68 17.739 -6.404 -12.555 1.00 0.00 C ATOM 1073 CD ARG A 68 16.700 -7.483 -12.290 1.00 0.00 C ATOM 1074 NE ARG A 68 16.602 -8.432 -13.395 1.00 0.00 N ATOM 1075 CZ ARG A 68 15.586 -9.273 -13.554 1.00 0.00 C ATOM 1076 NH1 ARG A 68 14.585 -9.281 -12.684 1.00 0.00 N ATOM 1077 NH2 ARG A 68 15.568 -10.107 -14.586 1.00 0.00 N ATOM 0 H ARG A 68 16.057 -5.332 -11.580 1.00 0.00 H new ATOM 0 HA ARG A 68 17.933 -4.702 -9.596 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.481 -5.807 -11.466 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.341 -6.756 -10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.262 -5.548 -13.032 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.487 -6.781 -13.252 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.957 -8.017 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.728 -7.018 -12.125 1.00 0.00 H new ATOM 0 HE ARG A 68 17.355 -8.450 -14.083 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.594 -8.640 -11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.806 -9.928 -12.809 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.335 -10.103 -15.258 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.787 -10.752 -14.707 1.00 0.00 H new ATOM 1091 N HIS A 69 18.032 -2.801 -12.210 1.00 0.00 N ATOM 1092 CA HIS A 69 18.662 -1.626 -12.802 1.00 0.00 C ATOM 1093 C HIS A 69 18.992 -0.589 -11.733 1.00 0.00 C ATOM 1094 O HIS A 69 20.043 0.051 -11.778 1.00 0.00 O ATOM 1095 CB HIS A 69 17.748 -1.011 -13.862 1.00 0.00 C ATOM 1096 CG HIS A 69 17.268 -1.996 -14.884 1.00 0.00 C ATOM 1097 ND1 HIS A 69 16.092 -2.703 -14.753 1.00 0.00 N ATOM 1098 CD2 HIS A 69 17.813 -2.388 -16.059 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.934 -3.489 -15.803 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.965 -3.317 -16.611 1.00 0.00 N ATOM 0 H HIS A 69 17.138 -3.057 -12.630 1.00 0.00 H new ATOM 0 HA HIS A 69 19.592 -1.942 -13.274 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.886 -0.561 -13.370 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.282 -0.206 -14.368 1.00 0.00 H new ATOM 0 HD2 HIS A 69 18.742 -2.036 -16.484 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.103 -4.158 -15.972 1.00 0.00 H new ATOM 0 HE2 HIS A 69 17.108 -3.796 -17.500 1.00 0.00 H new ATOM 1109 N SER A 70 18.086 -0.427 -10.774 1.00 0.00 N ATOM 1110 CA SER A 70 18.279 0.536 -9.696 1.00 0.00 C ATOM 1111 C SER A 70 18.174 -0.144 -8.334 1.00 0.00 C ATOM 1112 O SER A 70 18.228 0.513 -7.294 1.00 0.00 O ATOM 1113 CB SER A 70 17.246 1.660 -9.798 1.00 0.00 C ATOM 1114 OG SER A 70 17.658 2.800 -9.063 1.00 0.00 O ATOM 0 H SER A 70 17.212 -0.950 -10.721 1.00 0.00 H new ATOM 0 HA SER A 70 19.278 0.960 -9.795 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.101 1.931 -10.844 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.284 1.310 -9.423 1.00 0.00 H new ATOM 0 HG SER A 70 17.933 2.527 -8.163 1.00 0.00 H new ATOM 1120 N ARG A 71 18.023 -1.464 -8.350 1.00 0.00 N ATOM 1121 CA ARG A 71 17.909 -2.235 -7.117 1.00 0.00 C ATOM 1122 C ARG A 71 16.730 -1.748 -6.279 1.00 0.00 C ATOM 1123 O ARG A 71 16.820 -1.661 -5.054 1.00 0.00 O ATOM 1124 CB ARG A 71 19.202 -2.133 -6.306 1.00 0.00 C ATOM 1125 CG ARG A 71 20.412 -2.723 -7.011 1.00 0.00 C ATOM 1126 CD ARG A 71 21.426 -3.268 -6.017 1.00 0.00 C ATOM 1127 NE ARG A 71 22.792 -3.177 -6.524 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.786 -3.951 -6.102 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.565 -4.870 -5.171 1.00 0.00 N ATOM 1130 NH2 ARG A 71 25.003 -3.809 -6.612 1.00 0.00 N ATOM 0 H ARG A 71 17.977 -2.022 -9.202 1.00 0.00 H new ATOM 0 HA ARG A 71 17.737 -3.278 -7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.398 -1.085 -6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.064 -2.642 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.091 -3.522 -7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.882 -1.959 -7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.349 -2.715 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.191 -4.309 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 71 22.994 -2.481 -7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.631 -4.983 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.329 -5.463 -4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.176 -3.105 -7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.765 -4.404 -6.287 1.00 0.00 H new ATOM 1144 N VAL A 72 15.626 -1.432 -6.948 1.00 0.00 N ATOM 1145 CA VAL A 72 14.429 -0.955 -6.265 1.00 0.00 C ATOM 1146 C VAL A 72 13.199 -1.747 -6.695 1.00 0.00 C ATOM 1147 O VAL A 72 12.976 -1.970 -7.885 1.00 0.00 O ATOM 1148 CB VAL A 72 14.185 0.540 -6.540 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.894 1.001 -5.880 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.365 1.370 -6.057 1.00 0.00 C ATOM 0 H VAL A 72 15.535 -1.498 -7.962 1.00 0.00 H new ATOM 0 HA VAL A 72 14.595 -1.098 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 72 14.086 0.682 -7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.738 2.060 -6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.057 0.427 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.960 0.846 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.175 2.424 -6.259 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.498 1.224 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.269 1.057 -6.580 1.00 0.00 H new ATOM 1160 N TYR A 73 12.404 -2.169 -5.718 1.00 0.00 N ATOM 1161 CA TYR A 73 11.196 -2.938 -5.995 1.00 0.00 C ATOM 1162 C TYR A 73 9.982 -2.022 -6.117 1.00 0.00 C ATOM 1163 O TYR A 73 9.953 -0.931 -5.547 1.00 0.00 O ATOM 1164 CB TYR A 73 10.960 -3.971 -4.891 1.00 0.00 C ATOM 1165 CG TYR A 73 12.013 -5.056 -4.842 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.203 -4.865 -4.150 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.817 -6.271 -5.486 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.168 -5.853 -4.103 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.776 -7.265 -5.444 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.949 -7.051 -4.751 1.00 0.00 C ATOM 1171 OH TYR A 73 14.907 -8.038 -4.706 1.00 0.00 O ATOM 0 H TYR A 73 12.574 -1.992 -4.728 1.00 0.00 H new ATOM 0 HA TYR A 73 11.335 -3.455 -6.945 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.931 -3.461 -3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.983 -4.431 -5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.376 -3.929 -3.640 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.899 -6.442 -6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.088 -5.688 -3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.608 -8.204 -5.951 1.00 0.00 H new ATOM 0 HH TYR A 73 15.125 -8.240 -3.772 1.00 0.00 H new ATOM 1181 N THR A 74 8.980 -2.474 -6.864 1.00 0.00 N ATOM 1182 CA THR A 74 7.764 -1.697 -7.063 1.00 0.00 C ATOM 1183 C THR A 74 6.523 -2.572 -6.923 1.00 0.00 C ATOM 1184 O THR A 74 6.214 -3.373 -7.805 1.00 0.00 O ATOM 1185 CB THR A 74 7.748 -1.021 -8.447 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.902 -0.187 -8.598 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.488 -0.190 -8.629 1.00 0.00 C ATOM 0 H THR A 74 8.987 -3.375 -7.341 1.00 0.00 H new ATOM 0 HA THR A 74 7.752 -0.927 -6.291 1.00 0.00 H new ATOM 0 HB THR A 74 7.762 -1.801 -9.208 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.885 0.238 -9.481 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.500 0.277 -9.614 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.612 -0.833 -8.543 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.448 0.583 -7.861 1.00 0.00 H new ATOM 1195 N PHE A 75 5.815 -2.413 -5.810 1.00 0.00 N ATOM 1196 CA PHE A 75 4.608 -3.189 -5.554 1.00 0.00 C ATOM 1197 C PHE A 75 3.358 -2.356 -5.823 1.00 0.00 C ATOM 1198 O PHE A 75 3.270 -1.201 -5.407 1.00 0.00 O ATOM 1199 CB PHE A 75 4.596 -3.695 -4.110 1.00 0.00 C ATOM 1200 CG PHE A 75 5.906 -4.286 -3.672 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.958 -3.467 -3.293 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.085 -5.659 -3.638 1.00 0.00 C ATOM 1203 CE1 PHE A 75 8.164 -4.009 -2.891 1.00 0.00 C ATOM 1204 CE2 PHE A 75 7.288 -6.206 -3.235 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.329 -5.380 -2.860 1.00 0.00 C ATOM 0 H PHE A 75 6.057 -1.753 -5.071 1.00 0.00 H new ATOM 0 HA PHE A 75 4.607 -4.044 -6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.339 -2.870 -3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.813 -4.446 -4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.834 -2.394 -3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.274 -6.310 -3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.978 -3.361 -2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 75 7.414 -7.278 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.270 -5.805 -2.543 1.00 0.00 H new ATOM 1215 N GLU A 76 2.396 -2.950 -6.521 1.00 0.00 N ATOM 1216 CA GLU A 76 1.152 -2.262 -6.846 1.00 0.00 C ATOM 1217 C GLU A 76 -0.051 -3.024 -6.298 1.00 0.00 C ATOM 1218 O GLU A 76 0.061 -4.187 -5.912 1.00 0.00 O ATOM 1219 CB GLU A 76 1.017 -2.095 -8.361 1.00 0.00 C ATOM 1220 CG GLU A 76 2.258 -1.523 -9.024 1.00 0.00 C ATOM 1221 CD GLU A 76 2.408 -1.967 -10.466 1.00 0.00 C ATOM 1222 OE1 GLU A 76 2.240 -3.175 -10.734 1.00 0.00 O ATOM 1223 OE2 GLU A 76 2.692 -1.108 -11.326 1.00 0.00 O ATOM 0 H GLU A 76 2.454 -3.906 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 76 1.179 -1.277 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.792 -3.064 -8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.170 -1.443 -8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.216 -0.434 -8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.140 -1.828 -8.460 1.00 0.00 H new ATOM 1230 N MET A 77 -1.201 -2.359 -6.267 1.00 0.00 N ATOM 1231 CA MET A 77 -2.425 -2.973 -5.766 1.00 0.00 C ATOM 1232 C MET A 77 -3.600 -2.677 -6.693 1.00 0.00 C ATOM 1233 O MET A 77 -4.180 -1.592 -6.646 1.00 0.00 O ATOM 1234 CB MET A 77 -2.734 -2.470 -4.355 1.00 0.00 C ATOM 1235 CG MET A 77 -4.006 -3.056 -3.765 1.00 0.00 C ATOM 1236 SD MET A 77 -4.081 -2.890 -1.972 1.00 0.00 S ATOM 1237 CE MET A 77 -4.336 -1.125 -1.805 1.00 0.00 C ATOM 0 H MET A 77 -1.311 -1.395 -6.583 1.00 0.00 H new ATOM 0 HA MET A 77 -2.273 -4.052 -5.733 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.896 -2.710 -3.701 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.820 -1.384 -4.376 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.869 -2.560 -4.208 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.073 -4.111 -4.031 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.191 -0.833 -0.765 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.622 -0.593 -2.434 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.350 -0.873 -2.115 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.945 -3.647 -7.534 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.050 -3.488 -8.471 1.00 0.00 C ATOM 1249 C GLN A 78 -6.372 -3.894 -7.828 1.00 0.00 C ATOM 1250 O GLN A 78 -6.591 -5.067 -7.525 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.803 -4.323 -9.729 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.245 -3.636 -11.011 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.051 -4.508 -12.237 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.955 -4.649 -13.061 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.868 -5.097 -12.363 1.00 0.00 N ATOM 0 H GLN A 78 -3.475 -4.551 -7.585 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.110 -2.435 -8.748 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.740 -4.555 -9.798 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.331 -5.272 -9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.297 -3.361 -10.928 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.683 -2.710 -11.135 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.148 -4.952 -11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.679 -5.695 -13.168 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.249 -2.917 -7.623 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.549 -3.173 -7.017 1.00 0.00 C ATOM 1266 C ILE A 79 -9.657 -3.159 -8.065 1.00 0.00 C ATOM 1267 O ILE A 79 -9.994 -2.108 -8.612 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.876 -2.135 -5.927 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.806 -2.157 -4.834 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.252 -2.405 -5.334 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.312 -1.702 -3.483 1.00 0.00 C ATOM 0 H ILE A 79 -7.082 -1.941 -7.868 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.495 -4.162 -6.562 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.885 -1.144 -6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.412 -3.169 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.976 -1.518 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.469 -1.663 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.005 -2.344 -6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.269 -3.401 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.500 -1.744 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.680 -0.679 -3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.122 -2.356 -3.159 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.220 -4.331 -8.339 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.292 -4.453 -9.319 1.00 0.00 C ATOM 1285 C ILE A 80 -12.659 -4.406 -8.646 1.00 0.00 C ATOM 1286 O ILE A 80 -12.827 -4.876 -7.521 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.172 -5.760 -10.124 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.703 -6.073 -10.416 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.966 -5.660 -11.418 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.045 -6.928 -9.356 1.00 0.00 C ATOM 0 H ILE A 80 -9.951 -5.210 -7.896 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.196 -3.607 -10.000 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.585 -6.575 -9.529 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.633 -6.582 -11.377 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.152 -5.137 -10.510 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.871 -6.592 -11.976 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.016 -5.480 -11.188 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.580 -4.836 -12.019 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.005 -7.110 -9.629 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.083 -6.412 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.571 -7.879 -9.278 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.636 -3.837 -9.345 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.992 -3.730 -8.818 1.00 0.00 C ATOM 1304 C LYS A 81 -14.980 -3.205 -7.386 1.00 0.00 C ATOM 1305 O LYS A 81 -15.587 -3.796 -6.493 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.689 -5.092 -8.867 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.622 -5.761 -10.229 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.737 -6.778 -10.406 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.430 -7.751 -11.534 1.00 0.00 C ATOM 1310 NZ LYS A 81 -16.783 -7.185 -12.866 1.00 0.00 N ATOM 0 H LYS A 81 -13.514 -3.443 -10.278 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.542 -3.024 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.235 -5.750 -8.126 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.734 -4.966 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.691 -5.005 -11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.657 -6.254 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.879 -7.330 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.673 -6.260 -10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.370 -8.005 -11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.982 -8.677 -11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.559 -7.878 -13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.799 -6.966 -12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.237 -6.315 -13.029 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.286 -2.091 -7.175 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.198 -1.485 -5.852 1.00 0.00 C ATOM 1326 C ALA A 82 -15.585 -1.211 -5.281 1.00 0.00 C ATOM 1327 O ALA A 82 -16.305 -0.336 -5.763 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.387 -0.200 -5.914 1.00 0.00 C ATOM 0 H ALA A 82 -13.777 -1.590 -7.903 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.694 -2.188 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.329 0.242 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.381 -0.421 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.868 0.501 -6.595 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.955 -1.964 -4.251 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.256 -1.803 -3.613 1.00 0.00 C ATOM 1336 C LYS A 83 -17.191 -0.761 -2.501 1.00 0.00 C ATOM 1337 O LYS A 83 -16.108 -0.376 -2.060 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.739 -3.140 -3.045 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.410 -4.330 -3.930 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.476 -5.636 -3.156 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.707 -6.742 -3.861 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.028 -8.084 -3.302 1.00 0.00 N ATOM 0 H LYS A 83 -15.372 -2.693 -3.840 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.963 -1.460 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.290 -3.292 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.818 -3.094 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.108 -4.366 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.413 -4.206 -4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.068 -5.488 -2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.517 -5.936 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.942 -6.726 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.637 -6.556 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.510 -8.814 -3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.749 -8.119 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.050 -8.258 -3.383 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.356 -0.309 -2.051 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.431 0.687 -0.988 1.00 0.00 C ATOM 1358 C ASP A 84 -17.715 0.197 0.267 1.00 0.00 C ATOM 1359 O ASP A 84 -17.464 0.970 1.191 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.891 1.009 -0.664 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.458 0.107 0.414 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.514 -1.121 0.191 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.844 0.628 1.481 1.00 0.00 O ATOM 0 H ASP A 84 -19.262 -0.616 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.936 1.593 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.968 2.048 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.491 0.910 -1.569 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.390 -1.091 0.292 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.704 -1.684 1.434 1.00 0.00 C ATOM 1370 C ASN A 85 -15.198 -1.458 1.342 1.00 0.00 C ATOM 1371 O ASN A 85 -14.487 -1.529 2.344 1.00 0.00 O ATOM 1372 CB ASN A 85 -17.003 -3.183 1.513 1.00 0.00 C ATOM 1373 CG ASN A 85 -15.968 -3.937 2.325 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -14.790 -3.975 1.969 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -16.404 -4.541 3.424 1.00 0.00 N ATOM 0 H ASN A 85 -17.591 -1.744 -0.465 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.071 -1.199 2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -17.987 -3.331 1.957 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -17.042 -3.597 0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -15.754 -5.063 4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.389 -4.483 3.681 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.720 -1.185 0.133 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.298 -0.948 -0.091 1.00 0.00 C ATOM 1384 C PHE A 86 -12.879 0.411 0.462 1.00 0.00 C ATOM 1385 O PHE A 86 -11.691 0.690 0.616 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.976 -1.025 -1.585 1.00 0.00 C ATOM 1387 CG PHE A 86 -13.017 -2.422 -2.136 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.174 -3.180 -2.053 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.899 -2.977 -2.737 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.214 -4.466 -2.558 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.933 -4.262 -3.245 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.092 -5.007 -3.156 1.00 0.00 C ATOM 0 H PHE A 86 -15.296 -1.122 -0.707 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.739 -1.722 0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.685 -0.406 -2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.985 -0.604 -1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.054 -2.761 -1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.990 -2.399 -2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.121 -5.047 -2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.054 -4.683 -3.711 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.122 -6.011 -3.553 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.865 1.252 0.758 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.600 2.581 1.295 1.00 0.00 C ATOM 1404 C ALA A 87 -13.218 2.511 2.770 1.00 0.00 C ATOM 1405 O ALA A 87 -13.702 1.652 3.506 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.812 3.479 1.103 1.00 0.00 C ATOM 0 H ALA A 87 -14.854 1.036 0.635 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.758 3.005 0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.600 4.468 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.037 3.563 0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.669 3.050 1.623 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.347 3.421 3.195 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.915 3.444 4.580 1.00 0.00 C ATOM 1414 C GLY A 88 -10.453 3.817 4.725 1.00 0.00 C ATOM 1415 O GLY A 88 -9.961 4.706 4.032 1.00 0.00 O ATOM 0 H GLY A 88 -11.933 4.143 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.525 4.156 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.083 2.464 5.026 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.758 3.137 5.631 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.343 3.404 5.867 1.00 0.00 C ATOM 1421 C ASN A 89 -7.490 2.201 5.475 1.00 0.00 C ATOM 1422 O ASN A 89 -7.727 1.083 5.933 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.107 3.753 7.338 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.651 4.054 7.634 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.082 3.537 8.595 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.040 4.894 6.806 1.00 0.00 N ATOM 0 H ASN A 89 -10.151 2.398 6.214 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.050 4.252 5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.715 4.617 7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.438 2.924 7.963 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.060 5.134 6.954 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.551 5.299 6.022 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.498 2.439 4.625 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.610 1.375 4.170 1.00 0.00 C ATOM 1435 C TYR A 90 -4.303 1.382 4.957 1.00 0.00 C ATOM 1436 O TYR A 90 -4.025 2.314 5.712 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.320 1.529 2.676 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.440 1.038 1.788 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.715 1.581 1.880 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.223 0.030 0.855 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.742 1.134 1.071 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.243 -0.421 0.041 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.501 0.133 0.153 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.521 -0.313 -0.656 1.00 0.00 O ATOM 0 H TYR A 90 -6.288 3.359 4.237 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.110 0.421 4.340 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.129 2.580 2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.409 0.982 2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.907 2.366 2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.240 -0.408 0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.728 1.566 1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.057 -1.204 -0.680 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.374 0.049 -0.337 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.504 0.336 4.774 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.227 0.220 5.467 1.00 0.00 C ATOM 1456 C ARG A 91 -1.239 -0.608 4.650 1.00 0.00 C ATOM 1457 O ARG A 91 -1.636 -1.466 3.860 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.425 -0.416 6.844 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.176 -0.394 7.710 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.524 -0.365 9.190 1.00 0.00 C ATOM 1461 NE ARG A 91 -0.372 -0.017 10.017 1.00 0.00 N ATOM 1462 CZ ARG A 91 -0.415 0.060 11.342 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -1.548 -0.184 11.987 1.00 0.00 N ATOM 1464 NH2 ARG A 91 0.676 0.382 12.025 1.00 0.00 N ATOM 0 H ARG A 91 -3.719 -0.443 4.152 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.818 1.223 5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.227 0.107 7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.749 -1.449 6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.568 -1.273 7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.574 0.479 7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.323 0.356 9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.905 -1.341 9.492 1.00 0.00 H new ATOM 0 HE ARG A 91 0.514 0.178 9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.389 -0.431 11.465 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.578 -0.124 13.005 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.549 0.571 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.642 0.441 13.043 1.00 0.00 H new ATOM 1478 N CYS A 92 0.049 -0.346 4.845 1.00 0.00 N ATOM 1479 CA CYS A 92 1.094 -1.066 4.126 1.00 0.00 C ATOM 1480 C CYS A 92 2.227 -1.462 5.066 1.00 0.00 C ATOM 1481 O CYS A 92 2.708 -0.646 5.852 1.00 0.00 O ATOM 1482 CB CYS A 92 1.639 -0.207 2.984 1.00 0.00 C ATOM 1483 SG CYS A 92 0.370 0.410 1.853 1.00 0.00 S ATOM 0 H CYS A 92 0.395 0.360 5.495 1.00 0.00 H new ATOM 0 HA CYS A 92 0.657 -1.974 3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 92 2.177 0.641 3.407 1.00 0.00 H new ATOM 0 HB3 CYS A 92 2.362 -0.793 2.417 1.00 0.00 H new ATOM 0 HG CYS A 92 0.161 -0.466 0.916 1.00 0.00 H new ATOM 1489 N GLU A 93 2.647 -2.720 4.981 1.00 0.00 N ATOM 1490 CA GLU A 93 3.722 -3.225 5.827 1.00 0.00 C ATOM 1491 C GLU A 93 4.795 -3.915 4.989 1.00 0.00 C ATOM 1492 O GLU A 93 4.529 -4.912 4.318 1.00 0.00 O ATOM 1493 CB GLU A 93 3.168 -4.199 6.868 1.00 0.00 C ATOM 1494 CG GLU A 93 2.455 -3.516 8.023 1.00 0.00 C ATOM 1495 CD GLU A 93 1.675 -4.489 8.885 1.00 0.00 C ATOM 1496 OE1 GLU A 93 2.091 -5.663 8.979 1.00 0.00 O ATOM 1497 OE2 GLU A 93 0.649 -4.077 9.466 1.00 0.00 O ATOM 0 H GLU A 93 2.260 -3.408 4.335 1.00 0.00 H new ATOM 0 HA GLU A 93 4.175 -2.376 6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.476 -4.885 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.987 -4.800 7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.187 -2.996 8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.776 -2.760 7.629 1.00 0.00 H new ATOM 1504 N VAL A 94 6.010 -3.376 5.033 1.00 0.00 N ATOM 1505 CA VAL A 94 7.124 -3.939 4.280 1.00 0.00 C ATOM 1506 C VAL A 94 8.319 -4.211 5.187 1.00 0.00 C ATOM 1507 O VAL A 94 9.001 -3.286 5.629 1.00 0.00 O ATOM 1508 CB VAL A 94 7.561 -3.000 3.140 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.717 -3.609 2.360 1.00 0.00 C ATOM 1510 CG2 VAL A 94 6.388 -2.696 2.220 1.00 0.00 C ATOM 0 H VAL A 94 6.247 -2.550 5.582 1.00 0.00 H new ATOM 0 HA VAL A 94 6.775 -4.879 3.853 1.00 0.00 H new ATOM 0 HB VAL A 94 7.903 -2.062 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.012 -2.932 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.562 -3.770 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.406 -4.562 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.715 -2.031 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.013 -3.625 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.594 -2.214 2.790 1.00 0.00 H new ATOM 1520 N THR A 95 8.568 -5.488 5.461 1.00 0.00 N ATOM 1521 CA THR A 95 9.680 -5.883 6.315 1.00 0.00 C ATOM 1522 C THR A 95 10.866 -6.364 5.487 1.00 0.00 C ATOM 1523 O THR A 95 10.876 -7.492 4.995 1.00 0.00 O ATOM 1524 CB THR A 95 9.268 -6.998 7.295 1.00 0.00 C ATOM 1525 OG1 THR A 95 7.896 -6.834 7.674 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.148 -6.981 8.536 1.00 0.00 C ATOM 0 H THR A 95 8.014 -6.266 5.103 1.00 0.00 H new ATOM 0 HA THR A 95 9.971 -4.999 6.883 1.00 0.00 H new ATOM 0 HB THR A 95 9.394 -7.957 6.793 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.641 -7.547 8.296 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.838 -7.777 9.213 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.188 -7.135 8.247 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.050 -6.019 9.039 1.00 0.00 H new ATOM 1534 N TYR A 96 11.865 -5.501 5.337 1.00 0.00 N ATOM 1535 CA TYR A 96 13.056 -5.838 4.566 1.00 0.00 C ATOM 1536 C TYR A 96 14.211 -6.222 5.487 1.00 0.00 C ATOM 1537 O TYR A 96 14.260 -5.809 6.646 1.00 0.00 O ATOM 1538 CB TYR A 96 13.466 -4.660 3.680 1.00 0.00 C ATOM 1539 CG TYR A 96 14.603 -4.979 2.736 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.674 -6.208 2.093 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.606 -4.050 2.487 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.712 -6.504 1.231 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.646 -4.336 1.624 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.695 -5.565 0.999 1.00 0.00 C ATOM 1545 OH TYR A 96 17.730 -5.855 0.139 1.00 0.00 O ATOM 0 H TYR A 96 11.874 -4.564 5.739 1.00 0.00 H new ATOM 0 HA TYR A 96 12.818 -6.694 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.603 -4.336 3.099 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.756 -3.823 4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.905 -6.945 2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.572 -3.088 2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.754 -7.466 0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.416 -3.602 1.440 1.00 0.00 H new ATOM 0 HH TYR A 96 17.419 -6.480 -0.549 1.00 0.00 H new ATOM 1611 N PHE A 100 12.803 -1.893 8.194 1.00 0.00 N ATOM 1612 CA PHE A 100 11.376 -2.050 7.943 1.00 0.00 C ATOM 1613 C PHE A 100 10.685 -0.692 7.863 1.00 0.00 C ATOM 1614 O PHE A 100 11.050 0.245 8.573 1.00 0.00 O ATOM 1615 CB PHE A 100 10.732 -2.898 9.042 1.00 0.00 C ATOM 1616 CG PHE A 100 9.277 -2.596 9.259 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.888 -1.452 9.936 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.299 -3.455 8.784 1.00 0.00 C ATOM 1619 CE1 PHE A 100 7.549 -1.171 10.138 1.00 0.00 C ATOM 1620 CE2 PHE A 100 6.959 -3.179 8.982 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.584 -2.035 9.659 1.00 0.00 C ATOM 0 HA PHE A 100 11.256 -2.557 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.842 -3.952 8.787 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.271 -2.738 9.976 1.00 0.00 H new ATOM 0 HD1 PHE A 100 9.639 -0.772 10.310 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.587 -4.350 8.253 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.258 -0.277 10.670 1.00 0.00 H new ATOM 0 HE2 PHE A 100 6.206 -3.857 8.608 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.538 -1.816 9.814 1.00 0.00 H new ATOM 1631 N ASP A 101 9.685 -0.594 6.993 1.00 0.00 N ATOM 1632 CA ASP A 101 8.942 0.648 6.819 1.00 0.00 C ATOM 1633 C ASP A 101 7.455 0.369 6.624 1.00 0.00 C ATOM 1634 O ASP A 101 7.075 -0.654 6.056 1.00 0.00 O ATOM 1635 CB ASP A 101 9.488 1.431 5.624 1.00 0.00 C ATOM 1636 CG ASP A 101 9.528 0.600 4.357 1.00 0.00 C ATOM 1637 OD1 ASP A 101 8.449 0.186 3.884 1.00 0.00 O ATOM 1638 OD2 ASP A 101 10.639 0.364 3.839 1.00 0.00 O ATOM 0 H ASP A 101 9.371 -1.360 6.398 1.00 0.00 H new ATOM 0 HA ASP A 101 9.066 1.246 7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.869 2.313 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.493 1.786 5.854 1.00 0.00 H new ATOM 1643 N SER A 102 6.618 1.286 7.100 1.00 0.00 N ATOM 1644 CA SER A 102 5.173 1.137 6.982 1.00 0.00 C ATOM 1645 C SER A 102 4.514 2.471 6.643 1.00 0.00 C ATOM 1646 O SER A 102 4.929 3.522 7.133 1.00 0.00 O ATOM 1647 CB SER A 102 4.588 0.583 8.283 1.00 0.00 C ATOM 1648 OG SER A 102 4.601 1.563 9.306 1.00 0.00 O ATOM 0 H SER A 102 6.917 2.140 7.571 1.00 0.00 H new ATOM 0 HA SER A 102 4.971 0.436 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.566 0.246 8.111 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.162 -0.287 8.602 1.00 0.00 H new ATOM 0 HG SER A 102 4.221 1.185 10.126 1.00 0.00 H new ATOM 1654 N CYS A 103 3.487 2.419 5.803 1.00 0.00 N ATOM 1655 CA CYS A 103 2.771 3.623 5.397 1.00 0.00 C ATOM 1656 C CYS A 103 1.281 3.339 5.230 1.00 0.00 C ATOM 1657 O CYS A 103 0.888 2.239 4.843 1.00 0.00 O ATOM 1658 CB CYS A 103 3.348 4.169 4.090 1.00 0.00 C ATOM 1659 SG CYS A 103 3.833 2.890 2.907 1.00 0.00 S ATOM 0 H CYS A 103 3.131 1.557 5.390 1.00 0.00 H new ATOM 0 HA CYS A 103 2.895 4.371 6.180 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.609 4.820 3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 103 4.217 4.786 4.319 1.00 0.00 H new ATOM 0 HG CYS A 103 4.307 3.449 1.833 1.00 0.00 H new ATOM 1665 N SER A 104 0.457 4.339 5.525 1.00 0.00 N ATOM 1666 CA SER A 104 -0.990 4.195 5.413 1.00 0.00 C ATOM 1667 C SER A 104 -1.590 5.347 4.613 1.00 0.00 C ATOM 1668 O SER A 104 -1.104 6.477 4.669 1.00 0.00 O ATOM 1669 CB SER A 104 -1.627 4.138 6.803 1.00 0.00 C ATOM 1670 OG SER A 104 -1.246 5.257 7.585 1.00 0.00 O ATOM 0 H SER A 104 0.766 5.257 5.843 1.00 0.00 H new ATOM 0 HA SER A 104 -1.198 3.263 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.712 4.109 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.327 3.219 7.307 1.00 0.00 H new ATOM 0 HG SER A 104 -1.667 5.198 8.468 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.650 5.053 3.868 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.317 6.062 3.054 1.00 0.00 C ATOM 1678 C PHE A 105 -4.830 6.004 3.248 1.00 0.00 C ATOM 1679 O PHE A 105 -5.332 5.244 4.076 1.00 0.00 O ATOM 1680 CB PHE A 105 -2.974 5.866 1.576 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.381 4.524 1.039 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -4.668 4.312 0.571 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -2.478 3.474 1.001 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -5.046 3.078 0.077 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -2.850 2.238 0.508 1.00 0.00 C ATOM 1686 CZ PHE A 105 -4.136 2.040 0.044 1.00 0.00 C ATOM 0 H PHE A 105 -3.066 4.123 3.811 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.964 7.042 3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.462 6.646 0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.900 5.992 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.384 5.120 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.471 3.623 1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.053 2.926 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -2.136 1.428 0.485 1.00 0.00 H new ATOM 0 HZ PHE A 105 -4.429 1.076 -0.344 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.550 6.814 2.480 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.005 6.856 2.565 1.00 0.00 C ATOM 1698 C ASP A 106 -7.638 6.590 1.203 1.00 0.00 C ATOM 1699 O ASP A 106 -7.168 7.090 0.180 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.467 8.212 3.100 1.00 0.00 C ATOM 1701 CG ASP A 106 -6.848 9.373 2.346 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -7.404 9.765 1.299 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -5.808 9.890 2.804 1.00 0.00 O ATOM 0 H ASP A 106 -5.150 7.451 1.791 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.326 6.074 3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.553 8.276 3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.209 8.290 4.156 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.705 5.799 1.196 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.402 5.465 -0.041 1.00 0.00 C ATOM 1710 C LEU A 107 -10.883 5.814 0.058 1.00 0.00 C ATOM 1711 O LEU A 107 -11.530 5.537 1.067 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.236 3.977 -0.357 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.729 3.524 -1.732 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.247 3.450 -1.758 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.221 4.464 -2.816 1.00 0.00 C ATOM 0 H LEU A 107 -9.107 5.377 2.033 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.963 6.052 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.180 3.723 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.765 3.403 0.404 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.334 2.527 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.579 3.126 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.589 2.737 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.663 4.434 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.581 4.127 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.586 5.473 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.131 4.467 -2.814 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.415 6.421 -0.999 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.821 6.806 -1.031 1.00 0.00 C ATOM 1729 C GLU A 108 -13.553 6.096 -2.166 1.00 0.00 C ATOM 1730 O GLU A 108 -12.983 5.847 -3.228 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.954 8.322 -1.192 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.789 9.089 0.109 1.00 0.00 C ATOM 1733 CD GLU A 108 -12.492 10.559 -0.114 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -11.462 10.867 -0.749 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -13.290 11.401 0.347 1.00 0.00 O ATOM 0 H GLU A 108 -10.894 6.656 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.275 6.508 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.208 8.670 -1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.932 8.549 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.699 8.992 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.981 8.643 0.689 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.822 5.773 -1.933 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.633 5.093 -2.935 1.00 0.00 C ATOM 1744 C VAL A 109 -16.893 5.890 -3.255 1.00 0.00 C ATOM 1745 O VAL A 109 -17.712 6.156 -2.375 1.00 0.00 O ATOM 1746 CB VAL A 109 -16.037 3.682 -2.467 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.687 2.907 -3.604 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.827 2.935 -1.926 1.00 0.00 C ATOM 0 H VAL A 109 -15.310 5.972 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.021 5.009 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.766 3.780 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.965 1.913 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.578 3.436 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.983 2.817 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -15.130 1.940 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.074 2.847 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.409 3.483 -1.081 1.00 0.00 H new ATOM 1758 N HIS A 110 -17.043 6.267 -4.521 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.204 7.033 -4.958 1.00 0.00 C ATOM 1760 C HIS A 110 -19.189 6.145 -5.712 1.00 0.00 C ATOM 1761 O HIS A 110 -18.788 5.235 -6.437 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.768 8.199 -5.846 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.098 9.307 -5.093 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -17.063 10.610 -5.544 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.437 9.302 -3.912 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.407 11.357 -4.675 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -16.017 10.588 -3.675 1.00 0.00 N ATOM 0 H HIS A 110 -16.375 6.054 -5.262 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.702 7.427 -4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.087 7.827 -6.611 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.641 8.598 -6.363 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.271 8.446 -3.275 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.221 12.417 -4.767 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.490 10.899 -2.859 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.478 6.415 -5.534 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.519 5.638 -6.197 1.00 0.00 C ATOM 1778 C GLU A 111 -21.512 5.892 -7.702 1.00 0.00 C ATOM 1779 O GLU A 111 -21.675 7.026 -8.152 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.892 5.983 -5.617 1.00 0.00 C ATOM 1781 CG GLU A 111 -23.094 5.487 -4.195 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.553 5.243 -3.864 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.254 6.219 -3.521 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.995 4.078 -3.948 1.00 0.00 O ATOM 0 H GLU A 111 -20.826 7.165 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.314 4.582 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.024 7.065 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.665 5.555 -6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.534 4.563 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.684 6.218 -3.498 1.00 0.00 H new ATOM 1791 N SER A 112 -21.322 4.827 -8.475 1.00 0.00 N ATOM 1792 CA SER A 112 -21.290 4.934 -9.929 1.00 0.00 C ATOM 1793 C SER A 112 -22.661 5.318 -10.477 1.00 0.00 C ATOM 1794 O SER A 112 -23.686 4.788 -10.046 1.00 0.00 O ATOM 1795 CB SER A 112 -20.832 3.613 -10.549 1.00 0.00 C ATOM 1796 OG SER A 112 -21.008 3.621 -11.955 1.00 0.00 O ATOM 0 H SER A 112 -21.188 3.881 -8.119 1.00 0.00 H new ATOM 0 HA SER A 112 -20.580 5.717 -10.195 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.782 3.441 -10.312 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.396 2.788 -10.113 1.00 0.00 H new ATOM 0 HG SER A 112 -20.706 2.766 -12.327 1.00 0.00 H new