USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 656 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 81 THR OG1 : rot 112:sc= 0.105 USER MOD Set 1.2: A 83 THR OG1 : rot 129:sc= 1.25 USER MOD Set 1.3: A 86 TYR OH : rot 30:sc= 0.105 USER MOD Set 2.1: A 17 TYR OH : rot 50:sc= 0.221 USER MOD Set 2.2: A 75 HIS : no HD1:sc= -1.17! C(o=-0.95!,f=-4.7!) USER MOD Set 3.1: A 35 CYS SG : rot 60:sc= 0.0107 USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= 0.00888 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.574 X(o=-0.57,f=-0.14) USER MOD Single : A 18 THR OG1 : rot 0:sc= 1.12 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0504 K(o=0.05,f=-4.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -5.31! K(o=-5.3!,f=-2.9) USER MOD Single : A 28 TYR OH : rot -75:sc= 1.08 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00281 X(o=-0.0028,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -22:sc= 0.00754 USER MOD Single : A 84 MET CE :methyl 161:sc= -0.1 (180deg=-0.647) USER MOD Single : A 91 ASN : amide:sc= -3.42! C(o=-3.4!,f=-5.5!) USER MOD Single : A 112 GLN : amide:sc= -0.884 X(o=-0.88,f=-1.1) USER MOD Single : A 113 SER OG : rot 77:sc= 0.198 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -2.820 3.123 8.846 1.00 0.00 N ATOM 100 CA LYS A 10 -2.891 1.721 8.451 1.00 0.00 C ATOM 101 C LYS A 10 -1.494 1.133 8.276 1.00 0.00 C ATOM 102 O LYS A 10 -0.574 1.820 7.833 1.00 0.00 O ATOM 103 CB LYS A 10 -3.684 1.576 7.150 1.00 0.00 C ATOM 104 CG LYS A 10 -4.234 0.178 6.925 1.00 0.00 C ATOM 105 CD LYS A 10 -4.950 0.069 5.590 1.00 0.00 C ATOM 106 CE LYS A 10 -5.504 -1.330 5.367 1.00 0.00 C ATOM 107 NZ LYS A 10 -6.807 -1.528 6.060 1.00 0.00 N ATOM 0 HA LYS A 10 -3.400 1.172 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.511 2.286 7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.042 1.844 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.419 -0.545 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.923 -0.077 7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.763 0.794 5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.260 0.321 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.631 -1.504 4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.786 -2.067 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.151 -2.493 5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.681 -1.387 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.500 -0.842 5.699 1.00 0.00 H new ATOM 121 N GLU A 11 -1.345 -0.141 8.625 1.00 0.00 N ATOM 122 CA GLU A 11 -0.060 -0.819 8.505 1.00 0.00 C ATOM 123 C GLU A 11 -0.245 -2.334 8.480 1.00 0.00 C ATOM 124 O GLU A 11 -1.299 -2.848 8.853 1.00 0.00 O ATOM 125 CB GLU A 11 0.859 -0.426 9.663 1.00 0.00 C ATOM 126 CG GLU A 11 0.207 -0.554 11.029 1.00 0.00 C ATOM 127 CD GLU A 11 -0.663 -1.790 11.147 1.00 0.00 C ATOM 128 OE1 GLU A 11 -0.134 -2.906 10.962 1.00 0.00 O ATOM 129 OE2 GLU A 11 -1.871 -1.642 11.424 1.00 0.00 O ATOM 0 H GLU A 11 -2.097 -0.724 8.993 1.00 0.00 H new ATOM 0 HA GLU A 11 0.399 -0.510 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.751 -1.052 9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.187 0.604 9.522 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.981 -0.585 11.795 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.398 0.332 11.223 1.00 0.00 H new ATOM 136 N GLY A 12 0.788 -3.043 8.037 1.00 0.00 N ATOM 137 CA GLY A 12 0.720 -4.491 7.970 1.00 0.00 C ATOM 138 C GLY A 12 1.657 -5.069 6.928 1.00 0.00 C ATOM 139 O GLY A 12 2.194 -4.339 6.094 1.00 0.00 O ATOM 0 H GLY A 12 1.671 -2.641 7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.966 -4.909 8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.302 -4.793 7.742 1.00 0.00 H new ATOM 143 N TRP A 13 1.856 -6.381 6.975 1.00 0.00 N ATOM 144 CA TRP A 13 2.736 -7.055 6.028 1.00 0.00 C ATOM 145 C TRP A 13 2.006 -7.356 4.724 1.00 0.00 C ATOM 146 O TRP A 13 1.057 -8.140 4.700 1.00 0.00 O ATOM 147 CB TRP A 13 3.276 -8.351 6.635 1.00 0.00 C ATOM 148 CG TRP A 13 4.230 -8.124 7.768 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.929 -8.090 9.100 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.640 -7.897 7.669 1.00 0.00 C ATOM 151 NE1 TRP A 13 5.066 -7.856 9.834 1.00 0.00 N ATOM 152 CE2 TRP A 13 6.130 -7.734 8.979 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.537 -7.817 6.600 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.475 -7.496 9.247 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.872 -7.580 6.867 1.00 0.00 C ATOM 156 CH2 TRP A 13 8.331 -7.423 8.182 1.00 0.00 C ATOM 0 H TRP A 13 1.420 -6.999 7.659 1.00 0.00 H new ATOM 0 HA TRP A 13 3.570 -6.389 5.809 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.440 -8.954 6.989 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.777 -8.927 5.857 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.941 -8.227 9.515 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.111 -7.785 10.850 1.00 0.00 H new ATOM 0 HE3 TRP A 13 6.193 -7.938 5.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.830 -7.373 10.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.574 -7.515 6.049 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.381 -7.241 8.358 1.00 0.00 H new ATOM 167 N MET A 14 2.453 -6.728 3.641 1.00 0.00 N ATOM 168 CA MET A 14 1.841 -6.931 2.333 1.00 0.00 C ATOM 169 C MET A 14 2.873 -7.415 1.320 1.00 0.00 C ATOM 170 O MET A 14 4.076 -7.243 1.514 1.00 0.00 O ATOM 171 CB MET A 14 1.196 -5.634 1.842 1.00 0.00 C ATOM 172 CG MET A 14 0.315 -5.819 0.617 1.00 0.00 C ATOM 173 SD MET A 14 -0.961 -7.069 0.862 1.00 0.00 S ATOM 174 CE MET A 14 -2.341 -6.049 1.374 1.00 0.00 C ATOM 0 H MET A 14 3.236 -6.075 3.643 1.00 0.00 H new ATOM 0 HA MET A 14 1.071 -7.696 2.434 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.599 -5.207 2.648 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.980 -4.913 1.610 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.156 -4.869 0.366 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.936 -6.101 -0.233 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.209 -6.680 1.564 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.078 -5.511 2.285 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.577 -5.334 0.586 1.00 0.00 H new ATOM 184 N VAL A 15 2.394 -8.022 0.238 1.00 0.00 N ATOM 185 CA VAL A 15 3.275 -8.531 -0.806 1.00 0.00 C ATOM 186 C VAL A 15 3.018 -7.826 -2.133 1.00 0.00 C ATOM 187 O VAL A 15 1.872 -7.558 -2.494 1.00 0.00 O ATOM 188 CB VAL A 15 3.097 -10.048 -1.001 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.605 -10.806 0.217 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.639 -10.383 -1.277 1.00 0.00 C ATOM 0 H VAL A 15 1.401 -8.173 0.062 1.00 0.00 H new ATOM 0 HA VAL A 15 4.297 -8.331 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 15 3.686 -10.357 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.471 -11.876 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.663 -10.590 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.045 -10.495 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.532 -11.459 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.026 -10.060 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.313 -9.870 -2.181 1.00 0.00 H new ATOM 200 N HIS A 16 4.093 -7.529 -2.857 1.00 0.00 N ATOM 201 CA HIS A 16 3.984 -6.855 -4.146 1.00 0.00 C ATOM 202 C HIS A 16 5.166 -7.208 -5.045 1.00 0.00 C ATOM 203 O HIS A 16 6.204 -7.667 -4.569 1.00 0.00 O ATOM 204 CB HIS A 16 3.911 -5.341 -3.950 1.00 0.00 C ATOM 205 CG HIS A 16 5.254 -4.686 -3.845 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.047 -4.772 -2.720 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.943 -3.931 -4.732 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.166 -4.098 -2.920 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.128 -3.578 -4.134 1.00 0.00 N ATOM 0 H HIS A 16 5.049 -7.744 -2.573 1.00 0.00 H new ATOM 0 HA HIS A 16 3.068 -7.195 -4.629 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.365 -4.901 -4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.340 -5.127 -3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.621 -3.657 -5.726 1.00 0.00 H new ATOM 0 HE1 HIS A 16 7.974 -3.991 -2.212 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.859 -3.007 -4.558 1.00 0.00 H new ATOM 218 N TYR A 17 5.000 -6.991 -6.345 1.00 0.00 N ATOM 219 CA TYR A 17 6.051 -7.288 -7.310 1.00 0.00 C ATOM 220 C TYR A 17 6.071 -6.253 -8.430 1.00 0.00 C ATOM 221 O TYR A 17 5.205 -5.380 -8.502 1.00 0.00 O ATOM 222 CB TYR A 17 5.853 -8.687 -7.896 1.00 0.00 C ATOM 223 CG TYR A 17 4.513 -8.878 -8.569 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.382 -9.201 -7.830 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.378 -8.735 -9.945 1.00 0.00 C ATOM 226 CE1 TYR A 17 2.155 -9.377 -8.441 1.00 0.00 C ATOM 227 CE2 TYR A 17 3.155 -8.907 -10.564 1.00 0.00 C ATOM 228 CZ TYR A 17 2.047 -9.228 -9.808 1.00 0.00 C ATOM 229 OH TYR A 17 0.827 -9.402 -10.421 1.00 0.00 O ATOM 0 H TYR A 17 4.147 -6.610 -6.755 1.00 0.00 H new ATOM 0 HA TYR A 17 7.008 -7.251 -6.790 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.645 -8.884 -8.619 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.958 -9.424 -7.099 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.463 -9.317 -6.759 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.244 -8.485 -10.540 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.286 -9.630 -7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.067 -8.791 -11.634 1.00 0.00 H new ATOM 0 HH TYR A 17 0.147 -8.874 -9.953 1.00 0.00 H new ATOM 239 N THR A 18 7.066 -6.357 -9.306 1.00 0.00 N ATOM 240 CA THR A 18 7.201 -5.431 -10.423 1.00 0.00 C ATOM 241 C THR A 18 6.875 -6.115 -11.746 1.00 0.00 C ATOM 242 O THR A 18 6.767 -7.340 -11.813 1.00 0.00 O ATOM 243 CB THR A 18 8.623 -4.845 -10.499 1.00 0.00 C ATOM 244 OG1 THR A 18 9.583 -5.901 -10.622 1.00 0.00 O ATOM 245 CG2 THR A 18 8.932 -4.015 -9.262 1.00 0.00 C ATOM 0 H THR A 18 7.790 -7.074 -9.263 1.00 0.00 H new ATOM 0 HA THR A 18 6.491 -4.622 -10.250 1.00 0.00 H new ATOM 0 HB THR A 18 8.680 -4.199 -11.375 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.120 -6.764 -10.637 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.942 -3.611 -9.338 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.218 -3.195 -9.186 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.858 -4.643 -8.374 1.00 0.00 H new ATOM 253 N SER A 19 6.720 -5.317 -12.797 1.00 0.00 N ATOM 254 CA SER A 19 6.403 -5.846 -14.119 1.00 0.00 C ATOM 255 C SER A 19 7.627 -6.504 -14.748 1.00 0.00 C ATOM 256 O SER A 19 7.599 -7.684 -15.099 1.00 0.00 O ATOM 257 CB SER A 19 5.887 -4.729 -15.028 1.00 0.00 C ATOM 258 OG SER A 19 5.369 -5.254 -16.238 1.00 0.00 O ATOM 0 H SER A 19 6.809 -4.302 -12.759 1.00 0.00 H new ATOM 0 HA SER A 19 5.625 -6.600 -14.005 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.111 -4.165 -14.511 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.696 -4.032 -15.247 1.00 0.00 H new ATOM 0 HG SER A 19 5.044 -4.520 -16.800 1.00 0.00 H new ATOM 264 N ARG A 20 8.701 -5.733 -14.887 1.00 0.00 N ATOM 265 CA ARG A 20 9.935 -6.240 -15.475 1.00 0.00 C ATOM 266 C ARG A 20 10.250 -7.640 -14.954 1.00 0.00 C ATOM 267 O ARG A 20 10.423 -8.578 -15.732 1.00 0.00 O ATOM 268 CB ARG A 20 11.097 -5.295 -15.167 1.00 0.00 C ATOM 269 CG ARG A 20 12.366 -5.618 -15.940 1.00 0.00 C ATOM 270 CD ARG A 20 12.410 -4.881 -17.269 1.00 0.00 C ATOM 271 NE ARG A 20 12.512 -3.435 -17.091 1.00 0.00 N ATOM 272 CZ ARG A 20 12.601 -2.574 -18.099 1.00 0.00 C ATOM 273 NH1 ARG A 20 12.600 -3.012 -19.350 1.00 0.00 N ATOM 274 NH2 ARG A 20 12.691 -1.273 -17.855 1.00 0.00 N ATOM 0 H ARG A 20 8.741 -4.755 -14.600 1.00 0.00 H new ATOM 0 HA ARG A 20 9.798 -6.296 -16.555 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.793 -4.273 -15.394 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.312 -5.333 -14.099 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.236 -5.346 -15.343 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.423 -6.692 -16.116 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.260 -5.235 -17.852 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.512 -5.113 -17.842 1.00 0.00 H new ATOM 0 HE ARG A 20 12.515 -3.066 -16.140 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.531 -4.012 -19.540 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.668 -2.349 -20.122 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.692 -0.933 -16.893 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.759 -0.612 -18.629 1.00 0.00 H new ATOM 288 N ASP A 21 10.324 -7.771 -13.634 1.00 0.00 N ATOM 289 CA ASP A 21 10.618 -9.055 -13.009 1.00 0.00 C ATOM 290 C ASP A 21 9.608 -9.368 -11.910 1.00 0.00 C ATOM 291 O ASP A 21 9.187 -8.481 -11.169 1.00 0.00 O ATOM 292 CB ASP A 21 12.035 -9.053 -12.432 1.00 0.00 C ATOM 293 CG ASP A 21 12.642 -10.441 -12.383 1.00 0.00 C ATOM 294 OD1 ASP A 21 12.209 -11.248 -11.534 1.00 0.00 O ATOM 295 OD2 ASP A 21 13.551 -10.720 -13.192 1.00 0.00 O ATOM 0 H ASP A 21 10.184 -7.004 -12.976 1.00 0.00 H new ATOM 0 HA ASP A 21 10.547 -9.828 -13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.669 -8.403 -13.036 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.014 -8.633 -11.426 1.00 0.00 H new ATOM 300 N ASN A 22 9.223 -10.636 -11.810 1.00 0.00 N ATOM 301 CA ASN A 22 8.261 -11.067 -10.803 1.00 0.00 C ATOM 302 C ASN A 22 8.952 -11.328 -9.468 1.00 0.00 C ATOM 303 O ASN A 22 8.846 -12.419 -8.905 1.00 0.00 O ATOM 304 CB ASN A 22 7.532 -12.329 -11.269 1.00 0.00 C ATOM 305 CG ASN A 22 8.474 -13.501 -11.464 1.00 0.00 C ATOM 306 OD1 ASN A 22 9.544 -13.360 -12.057 1.00 0.00 O ATOM 307 ND2 ASN A 22 8.079 -14.667 -10.966 1.00 0.00 N ATOM 0 H ASN A 22 9.563 -11.384 -12.415 1.00 0.00 H new ATOM 0 HA ASN A 22 7.534 -10.267 -10.666 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.770 -12.597 -10.537 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.015 -12.122 -12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.671 -15.492 -11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.184 -14.738 -10.482 1.00 0.00 H new ATOM 314 N LEU A 23 9.658 -10.321 -8.966 1.00 0.00 N ATOM 315 CA LEU A 23 10.366 -10.442 -7.696 1.00 0.00 C ATOM 316 C LEU A 23 9.496 -9.959 -6.540 1.00 0.00 C ATOM 317 O LEU A 23 9.657 -8.839 -6.055 1.00 0.00 O ATOM 318 CB LEU A 23 11.669 -9.641 -7.738 1.00 0.00 C ATOM 319 CG LEU A 23 12.812 -10.173 -6.873 1.00 0.00 C ATOM 320 CD1 LEU A 23 14.121 -9.494 -7.242 1.00 0.00 C ATOM 321 CD2 LEU A 23 12.502 -9.971 -5.397 1.00 0.00 C ATOM 0 H LEU A 23 9.756 -9.412 -9.418 1.00 0.00 H new ATOM 0 HA LEU A 23 10.599 -11.495 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.012 -9.598 -8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.453 -8.618 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 23 12.916 -11.242 -7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.923 -9.885 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.350 -9.690 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.030 -8.419 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.326 -10.355 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.371 -8.908 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.587 -10.505 -5.141 1.00 0.00 H new ATOM 333 N ARG A 24 8.576 -10.812 -6.101 1.00 0.00 N ATOM 334 CA ARG A 24 7.682 -10.472 -5.001 1.00 0.00 C ATOM 335 C ARG A 24 8.463 -9.894 -3.825 1.00 0.00 C ATOM 336 O ARG A 24 9.633 -10.219 -3.622 1.00 0.00 O ATOM 337 CB ARG A 24 6.901 -11.708 -4.551 1.00 0.00 C ATOM 338 CG ARG A 24 5.533 -11.387 -3.972 1.00 0.00 C ATOM 339 CD ARG A 24 4.828 -12.641 -3.480 1.00 0.00 C ATOM 340 NE ARG A 24 4.481 -13.540 -4.577 1.00 0.00 N ATOM 341 CZ ARG A 24 4.295 -14.847 -4.426 1.00 0.00 C ATOM 342 NH1 ARG A 24 4.422 -15.403 -3.229 1.00 0.00 N ATOM 343 NH2 ARG A 24 3.982 -15.599 -5.473 1.00 0.00 N ATOM 0 H ARG A 24 8.430 -11.743 -6.490 1.00 0.00 H new ATOM 0 HA ARG A 24 6.981 -9.716 -5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.778 -12.379 -5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.486 -12.244 -3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.642 -10.682 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.921 -10.898 -4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.471 -13.164 -2.772 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.923 -12.360 -2.941 1.00 0.00 H new ATOM 0 HE ARG A 24 4.376 -13.143 -5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.663 -14.827 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.279 -16.406 -3.115 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.884 -15.174 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.839 -16.602 -5.356 1.00 0.00 H new ATOM 357 N LYS A 25 7.807 -9.035 -3.051 1.00 0.00 N ATOM 358 CA LYS A 25 8.438 -8.412 -1.894 1.00 0.00 C ATOM 359 C LYS A 25 7.442 -8.256 -0.749 1.00 0.00 C ATOM 360 O LYS A 25 6.389 -7.638 -0.910 1.00 0.00 O ATOM 361 CB LYS A 25 9.012 -7.045 -2.275 1.00 0.00 C ATOM 362 CG LYS A 25 10.279 -7.128 -3.108 1.00 0.00 C ATOM 363 CD LYS A 25 10.822 -5.747 -3.436 1.00 0.00 C ATOM 364 CE LYS A 25 12.241 -5.821 -3.980 1.00 0.00 C ATOM 365 NZ LYS A 25 12.565 -4.651 -4.842 1.00 0.00 N ATOM 0 H LYS A 25 6.838 -8.755 -3.205 1.00 0.00 H new ATOM 0 HA LYS A 25 9.249 -9.060 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.259 -6.486 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.221 -6.482 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.034 -7.698 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.073 -7.668 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.175 -5.265 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.807 -5.126 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.946 -5.867 -3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.363 -6.740 -4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.540 -4.738 -5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.908 -4.621 -5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.474 -3.776 -4.288 1.00 0.00 H new ATOM 379 N ARG A 26 7.782 -8.818 0.406 1.00 0.00 N ATOM 380 CA ARG A 26 6.917 -8.741 1.577 1.00 0.00 C ATOM 381 C ARG A 26 7.511 -7.810 2.630 1.00 0.00 C ATOM 382 O ARG A 26 8.599 -8.057 3.150 1.00 0.00 O ATOM 383 CB ARG A 26 6.705 -10.133 2.173 1.00 0.00 C ATOM 384 CG ARG A 26 5.638 -10.176 3.255 1.00 0.00 C ATOM 385 CD ARG A 26 5.897 -11.298 4.248 1.00 0.00 C ATOM 386 NE ARG A 26 4.923 -11.302 5.337 1.00 0.00 N ATOM 387 CZ ARG A 26 3.659 -11.684 5.191 1.00 0.00 C ATOM 388 NH1 ARG A 26 3.219 -12.092 4.009 1.00 0.00 N ATOM 389 NH2 ARG A 26 2.833 -11.659 6.229 1.00 0.00 N ATOM 0 H ARG A 26 8.650 -9.332 0.556 1.00 0.00 H new ATOM 0 HA ARG A 26 5.955 -8.338 1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.429 -10.823 1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.648 -10.488 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.613 -9.222 3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.659 -10.313 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.864 -12.256 3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.901 -11.193 4.660 1.00 0.00 H new ATOM 0 HE ARG A 26 5.230 -10.995 6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.851 -12.113 3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.248 -12.385 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.168 -11.346 7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.863 -11.952 6.116 1.00 0.00 H new ATOM 403 N HIS A 27 6.788 -6.738 2.941 1.00 0.00 N ATOM 404 CA HIS A 27 7.243 -5.770 3.932 1.00 0.00 C ATOM 405 C HIS A 27 6.062 -5.180 4.697 1.00 0.00 C ATOM 406 O HIS A 27 4.916 -5.266 4.253 1.00 0.00 O ATOM 407 CB HIS A 27 8.038 -4.652 3.257 1.00 0.00 C ATOM 408 CG HIS A 27 9.114 -5.151 2.342 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.250 -4.725 1.038 1.00 0.00 N ATOM 410 CD2 HIS A 27 10.110 -6.043 2.551 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.281 -5.336 0.483 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.821 -6.141 1.380 1.00 0.00 N ATOM 0 H HIS A 27 5.885 -6.518 2.521 1.00 0.00 H new ATOM 0 HA HIS A 27 7.890 -6.289 4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.353 -4.022 2.690 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.488 -4.023 4.025 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.309 -6.578 3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.624 -5.200 -0.532 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.634 -6.738 1.228 1.00 0.00 H new ATOM 421 N TYR A 28 6.348 -4.582 5.848 1.00 0.00 N ATOM 422 CA TYR A 28 5.309 -3.981 6.676 1.00 0.00 C ATOM 423 C TYR A 28 4.804 -2.681 6.058 1.00 0.00 C ATOM 424 O TYR A 28 5.141 -1.590 6.518 1.00 0.00 O ATOM 425 CB TYR A 28 5.841 -3.715 8.085 1.00 0.00 C ATOM 426 CG TYR A 28 4.772 -3.754 9.153 1.00 0.00 C ATOM 427 CD1 TYR A 28 4.029 -4.907 9.379 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.505 -2.639 9.938 1.00 0.00 C ATOM 429 CE1 TYR A 28 3.050 -4.946 10.353 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.529 -2.670 10.916 1.00 0.00 C ATOM 431 CZ TYR A 28 2.804 -3.826 11.119 1.00 0.00 C ATOM 432 OH TYR A 28 1.832 -3.862 12.092 1.00 0.00 O ATOM 0 H TYR A 28 7.291 -4.500 6.229 1.00 0.00 H new ATOM 0 HA TYR A 28 4.476 -4.682 6.735 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.606 -4.455 8.321 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.325 -2.739 8.103 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.220 -5.787 8.783 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.070 -1.732 9.781 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.480 -5.849 10.514 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.335 -1.794 11.518 1.00 0.00 H new ATOM 0 HH TYR A 28 0.947 -3.823 11.672 1.00 0.00 H new ATOM 442 N TRP A 29 3.994 -2.807 5.013 1.00 0.00 N ATOM 443 CA TRP A 29 3.440 -1.642 4.330 1.00 0.00 C ATOM 444 C TRP A 29 2.663 -0.761 5.301 1.00 0.00 C ATOM 445 O TRP A 29 1.779 -1.237 6.015 1.00 0.00 O ATOM 446 CB TRP A 29 2.531 -2.083 3.182 1.00 0.00 C ATOM 447 CG TRP A 29 3.262 -2.279 1.888 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.459 -2.913 1.710 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.844 -1.837 0.592 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.809 -2.891 0.382 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.835 -2.238 -0.325 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.727 -1.143 0.117 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.742 -1.966 -1.687 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.637 -0.874 -1.236 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.638 -1.286 -2.125 1.00 0.00 C ATOM 0 H TRP A 29 3.706 -3.703 4.620 1.00 0.00 H new ATOM 0 HA TRP A 29 4.268 -1.061 3.925 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.037 -3.015 3.457 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.749 -1.337 3.040 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.044 -3.365 2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.658 -3.296 -0.014 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.949 -0.823 0.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.514 -2.280 -2.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.780 -0.337 -1.614 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.537 -1.063 -3.177 1.00 0.00 H new ATOM 466 N ARG A 30 2.996 0.525 5.324 1.00 0.00 N ATOM 467 CA ARG A 30 2.329 1.473 6.209 1.00 0.00 C ATOM 468 C ARG A 30 1.808 2.674 5.425 1.00 0.00 C ATOM 469 O ARG A 30 2.546 3.299 4.663 1.00 0.00 O ATOM 470 CB ARG A 30 3.287 1.941 7.305 1.00 0.00 C ATOM 471 CG ARG A 30 3.767 0.822 8.214 1.00 0.00 C ATOM 472 CD ARG A 30 4.578 1.361 9.382 1.00 0.00 C ATOM 473 NE ARG A 30 3.805 2.292 10.201 1.00 0.00 N ATOM 474 CZ ARG A 30 3.697 3.589 9.936 1.00 0.00 C ATOM 475 NH1 ARG A 30 4.309 4.106 8.879 1.00 0.00 N ATOM 476 NH2 ARG A 30 2.976 4.372 10.728 1.00 0.00 N ATOM 0 H ARG A 30 3.724 0.935 4.739 1.00 0.00 H new ATOM 0 HA ARG A 30 1.481 0.967 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.151 2.417 6.841 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.791 2.701 7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.909 0.265 8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.374 0.121 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.919 0.531 10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.468 1.864 9.004 1.00 0.00 H new ATOM 0 HE ARG A 30 3.322 1.926 11.021 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.864 3.507 8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.225 5.102 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.504 3.978 11.542 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.894 5.368 10.523 1.00 0.00 H new ATOM 490 N LEU A 31 0.533 2.992 5.618 1.00 0.00 N ATOM 491 CA LEU A 31 -0.088 4.118 4.930 1.00 0.00 C ATOM 492 C LEU A 31 -0.628 5.137 5.929 1.00 0.00 C ATOM 493 O LEU A 31 -1.015 4.783 7.043 1.00 0.00 O ATOM 494 CB LEU A 31 -1.218 3.628 4.023 1.00 0.00 C ATOM 495 CG LEU A 31 -2.199 4.695 3.536 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.683 5.354 2.266 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.575 4.088 3.302 1.00 0.00 C ATOM 0 H LEU A 31 -0.091 2.486 6.246 1.00 0.00 H new ATOM 0 HA LEU A 31 0.674 4.603 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.774 3.146 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.781 2.863 4.558 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.287 5.459 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.394 6.111 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.720 5.824 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.565 4.601 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.260 4.862 2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.503 3.303 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.949 3.663 4.234 1.00 0.00 H new ATOM 509 N ASP A 32 -0.653 6.401 5.522 1.00 0.00 N ATOM 510 CA ASP A 32 -1.149 7.471 6.380 1.00 0.00 C ATOM 511 C ASP A 32 -1.664 8.640 5.547 1.00 0.00 C ATOM 512 O ASP A 32 -1.498 8.668 4.328 1.00 0.00 O ATOM 513 CB ASP A 32 -0.046 7.948 7.326 1.00 0.00 C ATOM 514 CG ASP A 32 1.338 7.799 6.723 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.753 8.699 5.963 1.00 0.00 O ATOM 516 OD2 ASP A 32 2.004 6.783 7.010 1.00 0.00 O ATOM 0 H ASP A 32 -0.336 6.710 4.603 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.976 7.077 6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.217 8.994 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.097 7.380 8.255 1.00 0.00 H new ATOM 521 N SER A 33 -2.291 9.604 6.214 1.00 0.00 N ATOM 522 CA SER A 33 -2.835 10.775 5.536 1.00 0.00 C ATOM 523 C SER A 33 -1.726 11.570 4.852 1.00 0.00 C ATOM 524 O SER A 33 -1.992 12.460 4.044 1.00 0.00 O ATOM 525 CB SER A 33 -3.579 11.667 6.530 1.00 0.00 C ATOM 526 OG SER A 33 -4.843 11.118 6.861 1.00 0.00 O ATOM 0 H SER A 33 -2.435 9.597 7.224 1.00 0.00 H new ATOM 0 HA SER A 33 -3.535 10.431 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.982 11.785 7.434 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.711 12.661 6.103 1.00 0.00 H new ATOM 0 HG SER A 33 -5.298 11.706 7.499 1.00 0.00 H new ATOM 532 N LYS A 34 -0.482 11.243 5.182 1.00 0.00 N ATOM 533 CA LYS A 34 0.669 11.923 4.601 1.00 0.00 C ATOM 534 C LYS A 34 1.125 11.227 3.323 1.00 0.00 C ATOM 535 O LYS A 34 0.967 11.760 2.224 1.00 0.00 O ATOM 536 CB LYS A 34 1.821 11.972 5.607 1.00 0.00 C ATOM 537 CG LYS A 34 1.565 12.901 6.781 1.00 0.00 C ATOM 538 CD LYS A 34 2.852 13.248 7.509 1.00 0.00 C ATOM 539 CE LYS A 34 2.654 14.410 8.470 1.00 0.00 C ATOM 540 NZ LYS A 34 3.946 15.050 8.841 1.00 0.00 N ATOM 0 H LYS A 34 -0.245 10.510 5.850 1.00 0.00 H new ATOM 0 HA LYS A 34 0.369 12.941 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.006 10.966 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.728 12.291 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.089 13.815 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.870 12.429 7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.206 12.376 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.624 13.503 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.000 15.152 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.153 14.055 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.768 15.837 9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.561 14.349 9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.413 15.412 7.985 1.00 0.00 H new ATOM 554 N CYS A 35 1.689 10.033 3.474 1.00 0.00 N ATOM 555 CA CYS A 35 2.167 9.263 2.332 1.00 0.00 C ATOM 556 C CYS A 35 2.292 7.785 2.686 1.00 0.00 C ATOM 557 O CYS A 35 2.355 7.420 3.861 1.00 0.00 O ATOM 558 CB CYS A 35 3.518 9.802 1.856 1.00 0.00 C ATOM 559 SG CYS A 35 4.843 9.651 3.077 1.00 0.00 S ATOM 0 H CYS A 35 1.826 9.578 4.376 1.00 0.00 H new ATOM 0 HA CYS A 35 1.439 9.365 1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.811 9.271 0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.404 10.852 1.587 1.00 0.00 H new ATOM 0 HG CYS A 35 5.020 8.398 3.373 1.00 0.00 H new ATOM 565 N LEU A 36 2.325 6.938 1.663 1.00 0.00 N ATOM 566 CA LEU A 36 2.440 5.498 1.866 1.00 0.00 C ATOM 567 C LEU A 36 3.903 5.072 1.930 1.00 0.00 C ATOM 568 O LEU A 36 4.596 5.034 0.912 1.00 0.00 O ATOM 569 CB LEU A 36 1.727 4.746 0.741 1.00 0.00 C ATOM 570 CG LEU A 36 1.975 3.238 0.679 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.081 2.508 1.669 1.00 0.00 C ATOM 572 CD2 LEU A 36 1.747 2.718 -0.733 1.00 0.00 C ATOM 0 H LEU A 36 2.274 7.223 0.685 1.00 0.00 H new ATOM 0 HA LEU A 36 1.967 5.251 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.655 4.914 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.030 5.183 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 36 3.013 3.049 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.272 1.436 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.293 2.859 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.036 2.704 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.928 1.643 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.719 2.920 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.431 3.217 -1.419 1.00 0.00 H new ATOM 584 N THR A 37 4.369 4.750 3.132 1.00 0.00 N ATOM 585 CA THR A 37 5.750 4.326 3.329 1.00 0.00 C ATOM 586 C THR A 37 5.823 2.849 3.701 1.00 0.00 C ATOM 587 O THR A 37 4.890 2.298 4.286 1.00 0.00 O ATOM 588 CB THR A 37 6.441 5.155 4.428 1.00 0.00 C ATOM 589 OG1 THR A 37 5.986 6.511 4.377 1.00 0.00 O ATOM 590 CG2 THR A 37 7.953 5.116 4.264 1.00 0.00 C ATOM 0 H THR A 37 3.810 4.775 3.985 1.00 0.00 H new ATOM 0 HA THR A 37 6.268 4.486 2.384 1.00 0.00 H new ATOM 0 HB THR A 37 6.185 4.722 5.395 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.429 7.031 5.080 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.420 5.708 5.051 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.300 4.085 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.224 5.527 3.292 1.00 0.00 H new ATOM 598 N LEU A 38 6.938 2.213 3.359 1.00 0.00 N ATOM 599 CA LEU A 38 7.134 0.798 3.657 1.00 0.00 C ATOM 600 C LEU A 38 8.094 0.617 4.829 1.00 0.00 C ATOM 601 O LEU A 38 8.640 1.588 5.354 1.00 0.00 O ATOM 602 CB LEU A 38 7.671 0.066 2.426 1.00 0.00 C ATOM 603 CG LEU A 38 6.619 -0.509 1.476 1.00 0.00 C ATOM 604 CD1 LEU A 38 5.978 0.599 0.656 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.241 -1.558 0.565 1.00 0.00 C ATOM 0 H LEU A 38 7.720 2.654 2.875 1.00 0.00 H new ATOM 0 HA LEU A 38 6.169 0.373 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.301 0.755 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.312 -0.749 2.763 1.00 0.00 H new ATOM 0 HG LEU A 38 5.842 -0.988 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.232 0.171 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.498 1.314 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.744 1.107 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.479 -1.957 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.038 -1.103 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.652 -2.367 1.169 1.00 0.00 H new ATOM 617 N PHE A 39 8.298 -0.632 5.232 1.00 0.00 N ATOM 618 CA PHE A 39 9.193 -0.941 6.341 1.00 0.00 C ATOM 619 C PHE A 39 9.839 -2.311 6.153 1.00 0.00 C ATOM 620 O PHE A 39 9.149 -3.316 5.988 1.00 0.00 O ATOM 621 CB PHE A 39 8.430 -0.902 7.667 1.00 0.00 C ATOM 622 CG PHE A 39 8.430 0.451 8.319 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.587 1.453 7.866 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.274 0.721 9.384 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.584 2.699 8.464 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.275 1.965 9.986 1.00 0.00 C ATOM 627 CZ PHE A 39 8.430 2.956 9.525 1.00 0.00 C ATOM 0 H PHE A 39 7.856 -1.447 4.807 1.00 0.00 H new ATOM 0 HA PHE A 39 9.980 -0.187 6.361 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.400 -1.213 7.493 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.870 -1.627 8.352 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.924 1.258 7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.938 -0.049 9.748 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.921 3.471 8.102 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.936 2.162 10.817 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.431 3.929 9.993 1.00 0.00 H new ATOM 637 N GLN A 40 11.168 -2.341 6.179 1.00 0.00 N ATOM 638 CA GLN A 40 11.907 -3.586 6.011 1.00 0.00 C ATOM 639 C GLN A 40 11.546 -4.586 7.105 1.00 0.00 C ATOM 640 O GLN A 40 11.175 -5.724 6.821 1.00 0.00 O ATOM 641 CB GLN A 40 13.412 -3.316 6.026 1.00 0.00 C ATOM 642 CG GLN A 40 14.219 -4.323 5.221 1.00 0.00 C ATOM 643 CD GLN A 40 15.673 -3.921 5.073 1.00 0.00 C ATOM 644 OE1 GLN A 40 16.570 -4.590 5.587 1.00 0.00 O ATOM 645 NE2 GLN A 40 15.915 -2.822 4.367 1.00 0.00 N ATOM 0 H GLN A 40 11.754 -1.517 6.315 1.00 0.00 H new ATOM 0 HA GLN A 40 11.632 -4.015 5.048 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.597 -2.317 5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.764 -3.323 7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.163 -5.298 5.705 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.774 -4.432 4.232 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.141 -2.298 3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.874 -2.503 4.233 1.00 0.00 H new ATOM 654 N ASN A 41 11.659 -4.152 8.356 1.00 0.00 N ATOM 655 CA ASN A 41 11.346 -5.009 9.493 1.00 0.00 C ATOM 656 C ASN A 41 10.451 -4.282 10.493 1.00 0.00 C ATOM 657 O ASN A 41 10.304 -3.062 10.435 1.00 0.00 O ATOM 658 CB ASN A 41 12.633 -5.467 10.183 1.00 0.00 C ATOM 659 CG ASN A 41 13.718 -4.409 10.144 1.00 0.00 C ATOM 660 OD1 ASN A 41 13.641 -3.399 10.845 1.00 0.00 O ATOM 661 ND2 ASN A 41 14.736 -4.635 9.322 1.00 0.00 N ATOM 0 H ASN A 41 11.965 -3.212 8.608 1.00 0.00 H new ATOM 0 HA ASN A 41 10.810 -5.882 9.121 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.415 -5.722 11.220 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.997 -6.375 9.701 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.496 -3.958 9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.758 -5.486 8.760 1.00 0.00 H new ATOM 755 N TYR A 48 11.328 1.998 4.818 1.00 0.00 N ATOM 756 CA TYR A 48 11.918 1.278 3.696 1.00 0.00 C ATOM 757 C TYR A 48 11.823 2.097 2.412 1.00 0.00 C ATOM 758 O TYR A 48 12.837 2.444 1.806 1.00 0.00 O ATOM 759 CB TYR A 48 11.222 -0.071 3.506 1.00 0.00 C ATOM 760 CG TYR A 48 11.613 -0.780 2.229 1.00 0.00 C ATOM 761 CD1 TYR A 48 12.734 -1.600 2.182 1.00 0.00 C ATOM 762 CD2 TYR A 48 10.863 -0.629 1.070 1.00 0.00 C ATOM 763 CE1 TYR A 48 13.096 -2.249 1.017 1.00 0.00 C ATOM 764 CE2 TYR A 48 11.216 -1.275 -0.099 1.00 0.00 C ATOM 765 CZ TYR A 48 12.333 -2.084 -0.120 1.00 0.00 C ATOM 766 OH TYR A 48 12.690 -2.728 -1.283 1.00 0.00 O ATOM 0 HA TYR A 48 12.971 1.108 3.920 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.456 -0.714 4.355 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.143 0.083 3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.332 -1.732 3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.988 0.005 1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.971 -2.882 0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.621 -1.147 -0.991 1.00 0.00 H new ATOM 0 HH TYR A 48 12.048 -2.507 -1.990 1.00 0.00 H new ATOM 776 N LYS A 49 10.596 2.403 2.003 1.00 0.00 N ATOM 777 CA LYS A 49 10.365 3.183 0.793 1.00 0.00 C ATOM 778 C LYS A 49 9.178 4.124 0.970 1.00 0.00 C ATOM 779 O LYS A 49 8.137 3.731 1.497 1.00 0.00 O ATOM 780 CB LYS A 49 10.120 2.254 -0.398 1.00 0.00 C ATOM 781 CG LYS A 49 10.548 2.847 -1.730 1.00 0.00 C ATOM 782 CD LYS A 49 12.002 2.533 -2.039 1.00 0.00 C ATOM 783 CE LYS A 49 12.392 3.013 -3.428 1.00 0.00 C ATOM 784 NZ LYS A 49 13.866 3.185 -3.562 1.00 0.00 N ATOM 0 H LYS A 49 9.746 2.122 2.492 1.00 0.00 H new ATOM 0 HA LYS A 49 11.255 3.782 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.658 1.320 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.059 2.007 -0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.913 2.455 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.404 3.927 -1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.644 3.006 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.167 1.458 -1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.041 2.297 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.895 3.960 -3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.091 3.513 -4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.198 3.887 -2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.339 2.275 -3.387 1.00 0.00 H new ATOM 798 N GLU A 50 9.341 5.366 0.526 1.00 0.00 N ATOM 799 CA GLU A 50 8.281 6.362 0.636 1.00 0.00 C ATOM 800 C GLU A 50 7.524 6.497 -0.682 1.00 0.00 C ATOM 801 O GLU A 50 8.128 6.647 -1.744 1.00 0.00 O ATOM 802 CB GLU A 50 8.863 7.716 1.044 1.00 0.00 C ATOM 803 CG GLU A 50 9.970 8.205 0.125 1.00 0.00 C ATOM 804 CD GLU A 50 10.049 9.718 0.060 1.00 0.00 C ATOM 805 OE1 GLU A 50 8.985 10.370 0.122 1.00 0.00 O ATOM 806 OE2 GLU A 50 11.173 10.250 -0.055 1.00 0.00 O ATOM 0 H GLU A 50 10.196 5.707 0.087 1.00 0.00 H new ATOM 0 HA GLU A 50 7.583 6.029 1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.063 8.456 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.251 7.644 2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.925 7.810 0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.806 7.810 -0.878 1.00 0.00 H new ATOM 813 N ILE A 51 6.198 6.444 -0.604 1.00 0.00 N ATOM 814 CA ILE A 51 5.358 6.561 -1.789 1.00 0.00 C ATOM 815 C ILE A 51 4.381 7.724 -1.657 1.00 0.00 C ATOM 816 O ILE A 51 3.318 7.608 -1.047 1.00 0.00 O ATOM 817 CB ILE A 51 4.566 5.266 -2.048 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.522 4.090 -2.252 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.658 5.434 -3.257 1.00 0.00 C ATOM 820 CD1 ILE A 51 4.824 2.750 -2.333 1.00 0.00 C ATOM 0 H ILE A 51 5.683 6.321 0.268 1.00 0.00 H new ATOM 0 HA ILE A 51 6.025 6.744 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 51 3.944 5.057 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.091 4.250 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.239 4.068 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.105 4.511 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.957 6.249 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.261 5.663 -4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.564 1.963 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.277 2.568 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.128 2.753 -3.172 1.00 0.00 H new ATOM 832 N PRO A 52 4.747 8.874 -2.244 1.00 0.00 N ATOM 833 CA PRO A 52 3.915 10.080 -2.209 1.00 0.00 C ATOM 834 C PRO A 52 2.651 9.938 -3.050 1.00 0.00 C ATOM 835 O PRO A 52 2.721 9.748 -4.265 1.00 0.00 O ATOM 836 CB PRO A 52 4.829 11.159 -2.794 1.00 0.00 C ATOM 837 CG PRO A 52 5.789 10.414 -3.656 1.00 0.00 C ATOM 838 CD PRO A 52 6.000 9.084 -2.988 1.00 0.00 C ATOM 0 HA PRO A 52 3.562 10.302 -1.202 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.261 11.888 -3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.347 11.709 -2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.391 10.286 -4.663 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.730 10.956 -3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.173 8.291 -3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.864 9.100 -2.324 1.00 0.00 H new ATOM 846 N LEU A 53 1.498 10.032 -2.398 1.00 0.00 N ATOM 847 CA LEU A 53 0.217 9.915 -3.087 1.00 0.00 C ATOM 848 C LEU A 53 0.293 10.525 -4.483 1.00 0.00 C ATOM 849 O LEU A 53 -0.377 10.065 -5.409 1.00 0.00 O ATOM 850 CB LEU A 53 -0.884 10.601 -2.277 1.00 0.00 C ATOM 851 CG LEU A 53 -1.171 10.008 -0.897 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.932 11.004 -0.036 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.951 8.707 -1.027 1.00 0.00 C ATOM 0 H LEU A 53 1.423 10.189 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.020 8.856 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.615 11.650 -2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.805 10.576 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.220 9.791 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.127 10.565 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.337 11.909 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.878 11.253 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.146 8.299 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.897 8.899 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.369 7.990 -1.606 1.00 0.00 H new ATOM 865 N SER A 54 1.113 11.560 -4.628 1.00 0.00 N ATOM 866 CA SER A 54 1.275 12.234 -5.911 1.00 0.00 C ATOM 867 C SER A 54 1.802 11.269 -6.969 1.00 0.00 C ATOM 868 O SER A 54 1.178 11.074 -8.011 1.00 0.00 O ATOM 869 CB SER A 54 2.227 13.423 -5.770 1.00 0.00 C ATOM 870 OG SER A 54 2.002 14.380 -6.790 1.00 0.00 O ATOM 0 H SER A 54 1.676 11.951 -3.873 1.00 0.00 H new ATOM 0 HA SER A 54 0.297 12.596 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.090 13.888 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.259 13.074 -5.815 1.00 0.00 H new ATOM 0 HG SER A 54 2.622 15.131 -6.677 1.00 0.00 H new ATOM 876 N GLU A 55 2.954 10.667 -6.691 1.00 0.00 N ATOM 877 CA GLU A 55 3.565 9.723 -7.619 1.00 0.00 C ATOM 878 C GLU A 55 2.502 8.873 -8.309 1.00 0.00 C ATOM 879 O GLU A 55 2.409 8.855 -9.537 1.00 0.00 O ATOM 880 CB GLU A 55 4.557 8.820 -6.883 1.00 0.00 C ATOM 881 CG GLU A 55 5.968 9.382 -6.829 1.00 0.00 C ATOM 882 CD GLU A 55 6.770 9.066 -8.076 1.00 0.00 C ATOM 883 OE1 GLU A 55 6.430 9.602 -9.152 1.00 0.00 O ATOM 884 OE2 GLU A 55 7.737 8.283 -7.977 1.00 0.00 O ATOM 0 H GLU A 55 3.482 10.816 -5.831 1.00 0.00 H new ATOM 0 HA GLU A 55 4.099 10.294 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.201 8.657 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.581 7.846 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.920 10.463 -6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.483 8.977 -5.958 1.00 0.00 H new ATOM 891 N ILE A 56 1.705 8.171 -7.512 1.00 0.00 N ATOM 892 CA ILE A 56 0.649 7.320 -8.045 1.00 0.00 C ATOM 893 C ILE A 56 -0.228 8.085 -9.031 1.00 0.00 C ATOM 894 O ILE A 56 -1.111 8.845 -8.633 1.00 0.00 O ATOM 895 CB ILE A 56 -0.238 6.751 -6.921 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.613 5.974 -5.915 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.325 5.861 -7.504 1.00 0.00 C ATOM 898 CD1 ILE A 56 1.176 6.836 -4.807 1.00 0.00 C ATOM 0 H ILE A 56 1.770 8.175 -6.494 1.00 0.00 H new ATOM 0 HA ILE A 56 1.140 6.495 -8.562 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.716 7.580 -6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.008 5.181 -5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.436 5.492 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.943 5.466 -6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.945 6.443 -8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.866 5.035 -8.047 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.768 6.219 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.808 7.614 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.358 7.298 -4.254 1.00 0.00 H new ATOM 910 N LEU A 57 0.021 7.877 -10.319 1.00 0.00 N ATOM 911 CA LEU A 57 -0.747 8.545 -11.364 1.00 0.00 C ATOM 912 C LEU A 57 -2.187 8.042 -11.388 1.00 0.00 C ATOM 913 O LEU A 57 -3.131 8.829 -11.332 1.00 0.00 O ATOM 914 CB LEU A 57 -0.093 8.319 -12.729 1.00 0.00 C ATOM 915 CG LEU A 57 1.378 8.720 -12.842 1.00 0.00 C ATOM 916 CD1 LEU A 57 2.005 8.101 -14.082 1.00 0.00 C ATOM 917 CD2 LEU A 57 1.518 10.235 -12.870 1.00 0.00 C ATOM 0 H LEU A 57 0.748 7.251 -10.665 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.758 9.613 -11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.181 7.262 -12.982 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.659 8.874 -13.477 1.00 0.00 H new ATOM 0 HG LEU A 57 1.906 8.344 -11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.052 8.397 -14.147 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.938 7.015 -14.020 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.475 8.447 -14.969 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.572 10.502 -12.951 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.976 10.635 -13.727 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.107 10.655 -11.952 1.00 0.00 H new ATOM 929 N ARG A 58 -2.347 6.725 -11.470 1.00 0.00 N ATOM 930 CA ARG A 58 -3.671 6.116 -11.500 1.00 0.00 C ATOM 931 C ARG A 58 -3.579 4.605 -11.314 1.00 0.00 C ATOM 932 O ARG A 58 -2.491 4.030 -11.349 1.00 0.00 O ATOM 933 CB ARG A 58 -4.373 6.437 -12.821 1.00 0.00 C ATOM 934 CG ARG A 58 -3.732 5.772 -14.029 1.00 0.00 C ATOM 935 CD ARG A 58 -4.456 6.136 -15.315 1.00 0.00 C ATOM 936 NE ARG A 58 -4.282 5.119 -16.349 1.00 0.00 N ATOM 937 CZ ARG A 58 -4.740 3.877 -16.241 1.00 0.00 C ATOM 938 NH1 ARG A 58 -5.397 3.501 -15.153 1.00 0.00 N ATOM 939 NH2 ARG A 58 -4.542 3.008 -17.225 1.00 0.00 N ATOM 0 H ARG A 58 -1.576 6.059 -11.517 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.253 6.531 -10.677 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.415 6.124 -12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.374 7.517 -12.969 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.687 6.074 -14.100 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.742 4.690 -13.898 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.519 6.265 -15.109 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.084 7.093 -15.682 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.782 5.377 -17.200 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.552 4.166 -14.396 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.747 2.546 -15.073 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.038 3.294 -18.064 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.894 2.054 -17.142 1.00 0.00 H new ATOM 953 N ILE A 59 -4.728 3.967 -11.117 1.00 0.00 N ATOM 954 CA ILE A 59 -4.777 2.523 -10.926 1.00 0.00 C ATOM 955 C ILE A 59 -5.209 1.814 -12.205 1.00 0.00 C ATOM 956 O ILE A 59 -6.091 2.286 -12.922 1.00 0.00 O ATOM 957 CB ILE A 59 -5.741 2.138 -9.788 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.338 2.839 -8.489 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.759 0.628 -9.598 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.060 2.301 -7.884 1.00 0.00 C ATOM 0 H ILE A 59 -5.637 4.428 -11.086 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.769 2.205 -10.660 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.746 2.463 -10.057 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.218 3.905 -8.683 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.145 2.736 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.445 0.371 -8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.089 0.149 -10.520 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.757 0.281 -9.347 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.835 2.844 -6.966 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.182 1.242 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.241 2.429 -8.591 1.00 0.00 H new ATOM 972 N SER A 60 -4.582 0.675 -12.484 1.00 0.00 N ATOM 973 CA SER A 60 -4.900 -0.099 -13.678 1.00 0.00 C ATOM 974 C SER A 60 -6.242 -0.809 -13.524 1.00 0.00 C ATOM 975 O SER A 60 -6.446 -1.579 -12.586 1.00 0.00 O ATOM 976 CB SER A 60 -3.798 -1.124 -13.955 1.00 0.00 C ATOM 977 OG SER A 60 -4.176 -2.011 -14.994 1.00 0.00 O ATOM 0 H SER A 60 -3.852 0.268 -11.900 1.00 0.00 H new ATOM 0 HA SER A 60 -4.967 0.590 -14.520 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.878 -0.608 -14.230 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.587 -1.690 -13.048 1.00 0.00 H new ATOM 0 HG SER A 60 -3.455 -2.655 -15.153 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.654 -10.202 -8.491 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.713 -9.021 -7.637 1.00 0.00 C ATOM 1187 C HIS A 75 -5.081 -8.351 -7.729 1.00 0.00 C ATOM 1188 O HIS A 75 -5.908 -8.720 -8.565 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.619 -8.027 -8.028 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.543 -7.769 -9.501 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -2.101 -8.709 -10.409 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.859 -6.669 -10.225 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -2.146 -8.197 -11.626 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -2.602 -6.961 -11.542 1.00 0.00 N ATOM 0 HA HIS A 75 -3.553 -9.340 -6.607 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.795 -7.084 -7.511 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.656 -8.405 -7.683 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.242 -5.736 -9.839 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.858 -8.704 -12.535 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.741 -6.326 -12.328 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.313 -7.368 -6.867 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.581 -6.648 -6.850 1.00 0.00 C ATOM 1205 C CYS A 76 -6.459 -5.313 -7.578 1.00 0.00 C ATOM 1206 O CYS A 76 -7.405 -4.853 -8.217 1.00 0.00 O ATOM 1207 CB CYS A 76 -7.042 -6.418 -5.410 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.627 -5.558 -5.271 1.00 0.00 S ATOM 0 H CYS A 76 -4.639 -7.051 -6.170 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.322 -7.256 -7.368 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.118 -7.381 -4.906 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.281 -5.842 -4.884 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.858 -4.894 -6.364 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.287 -4.695 -7.475 1.00 0.00 N ATOM 1215 CA PHE A 77 -5.041 -3.411 -8.121 1.00 0.00 C ATOM 1216 C PHE A 77 -3.564 -3.251 -8.467 1.00 0.00 C ATOM 1217 O PHE A 77 -2.725 -4.038 -8.032 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.490 -2.265 -7.212 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.734 -2.195 -5.916 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -5.164 -2.908 -4.809 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.594 -1.416 -5.805 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.470 -2.847 -3.615 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -2.896 -1.351 -4.614 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.335 -2.066 -3.517 1.00 0.00 C ATOM 0 H PHE A 77 -4.493 -5.062 -6.951 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.618 -3.381 -9.045 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.370 -1.321 -7.744 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.553 -2.377 -6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.052 -3.519 -4.880 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.247 -0.853 -6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.815 -3.409 -2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.008 -0.741 -4.541 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.792 -2.015 -2.585 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.254 -2.225 -9.255 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.879 -1.963 -9.661 1.00 0.00 C ATOM 1236 C GLU A 78 -1.528 -0.489 -9.474 1.00 0.00 C ATOM 1237 O GLU A 78 -2.234 0.394 -9.962 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.669 -2.367 -11.122 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.494 -3.571 -11.545 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.320 -3.911 -13.012 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -1.481 -3.265 -13.675 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -3.021 -4.823 -13.498 1.00 0.00 O ATOM 0 H GLU A 78 -3.937 -1.563 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.221 -2.559 -9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.919 -1.522 -11.763 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.613 -2.586 -11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.210 -4.432 -10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.547 -3.374 -11.344 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.434 -0.233 -8.765 1.00 0.00 N ATOM 1250 CA ILE A 79 0.010 1.132 -8.514 1.00 0.00 C ATOM 1251 C ILE A 79 0.996 1.595 -9.582 1.00 0.00 C ATOM 1252 O ILE A 79 2.162 1.199 -9.578 1.00 0.00 O ATOM 1253 CB ILE A 79 0.672 1.263 -7.129 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.221 0.644 -6.052 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.956 2.724 -6.814 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.426 0.596 -4.685 1.00 0.00 C ATOM 0 H ILE A 79 0.161 -0.953 -8.354 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.878 1.763 -8.545 1.00 0.00 H new ATOM 0 HB ILE A 79 1.619 0.724 -7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.147 1.215 -5.987 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.491 -0.368 -6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.424 2.800 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.627 3.135 -7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.021 3.285 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.264 0.145 -3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.337 0.000 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.671 1.608 -4.363 1.00 0.00 H new ATOM 1268 N ILE A 80 0.519 2.436 -10.494 1.00 0.00 N ATOM 1269 CA ILE A 80 1.359 2.954 -11.566 1.00 0.00 C ATOM 1270 C ILE A 80 1.997 4.282 -11.171 1.00 0.00 C ATOM 1271 O ILE A 80 1.332 5.319 -11.141 1.00 0.00 O ATOM 1272 CB ILE A 80 0.557 3.149 -12.866 1.00 0.00 C ATOM 1273 CG1 ILE A 80 0.028 1.805 -13.371 1.00 0.00 C ATOM 1274 CG2 ILE A 80 1.419 3.817 -13.926 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.184 1.309 -12.613 1.00 0.00 C ATOM 0 H ILE A 80 -0.444 2.773 -10.512 1.00 0.00 H new ATOM 0 HA ILE A 80 2.141 2.215 -11.739 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.294 3.798 -12.656 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.227 1.898 -14.427 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.821 1.061 -13.298 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.837 3.948 -14.839 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.751 4.790 -13.565 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.287 3.192 -14.135 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.504 0.352 -13.025 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.929 1.184 -11.561 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.993 2.033 -12.707 1.00 0.00 H new ATOM 1287 N THR A 81 3.291 4.245 -10.871 1.00 0.00 N ATOM 1288 CA THR A 81 4.020 5.445 -10.479 1.00 0.00 C ATOM 1289 C THR A 81 4.948 5.913 -11.593 1.00 0.00 C ATOM 1290 O THR A 81 5.500 5.101 -12.336 1.00 0.00 O ATOM 1291 CB THR A 81 4.848 5.208 -9.202 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.703 4.073 -9.376 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.940 4.985 -8.002 1.00 0.00 C ATOM 0 H THR A 81 3.856 3.396 -10.892 1.00 0.00 H new ATOM 0 HA THR A 81 3.275 6.216 -10.282 1.00 0.00 H new ATOM 0 HB THR A 81 5.455 6.095 -9.019 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.637 4.368 -9.400 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.547 4.820 -7.112 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.310 5.862 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.311 4.113 -8.179 1.00 0.00 H new ATOM 1301 N ASP A 82 5.117 7.226 -11.704 1.00 0.00 N ATOM 1302 CA ASP A 82 5.981 7.803 -12.728 1.00 0.00 C ATOM 1303 C ASP A 82 7.245 6.966 -12.906 1.00 0.00 C ATOM 1304 O ASP A 82 7.778 6.854 -14.010 1.00 0.00 O ATOM 1305 CB ASP A 82 6.354 9.240 -12.361 1.00 0.00 C ATOM 1306 CG ASP A 82 6.676 10.083 -13.579 1.00 0.00 C ATOM 1307 OD1 ASP A 82 7.275 9.543 -14.533 1.00 0.00 O ATOM 1308 OD2 ASP A 82 6.329 11.282 -13.579 1.00 0.00 O ATOM 0 H ASP A 82 4.667 7.911 -11.097 1.00 0.00 H new ATOM 0 HA ASP A 82 5.433 7.808 -13.670 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.530 9.698 -11.813 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.215 9.229 -11.692 1.00 0.00 H new ATOM 1313 N THR A 83 7.720 6.381 -11.811 1.00 0.00 N ATOM 1314 CA THR A 83 8.922 5.557 -11.845 1.00 0.00 C ATOM 1315 C THR A 83 8.656 4.225 -12.538 1.00 0.00 C ATOM 1316 O THR A 83 9.087 4.007 -13.670 1.00 0.00 O ATOM 1317 CB THR A 83 9.459 5.287 -10.427 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.413 4.765 -9.599 1.00 0.00 O ATOM 1319 CG2 THR A 83 10.016 6.560 -9.808 1.00 0.00 C ATOM 0 H THR A 83 7.291 6.463 -10.889 1.00 0.00 H new ATOM 0 HA THR A 83 9.671 6.114 -12.409 1.00 0.00 H new ATOM 0 HB THR A 83 10.264 4.555 -10.500 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.721 3.944 -9.161 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.389 6.345 -8.807 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.831 6.939 -10.425 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.228 7.310 -9.748 1.00 0.00 H new ATOM 1327 N MET A 84 7.943 3.339 -11.852 1.00 0.00 N ATOM 1328 CA MET A 84 7.618 2.028 -12.403 1.00 0.00 C ATOM 1329 C MET A 84 6.254 1.555 -11.911 1.00 0.00 C ATOM 1330 O MET A 84 5.665 2.154 -11.012 1.00 0.00 O ATOM 1331 CB MET A 84 8.693 1.009 -12.020 1.00 0.00 C ATOM 1332 CG MET A 84 9.826 0.914 -13.029 1.00 0.00 C ATOM 1333 SD MET A 84 11.089 -0.278 -12.544 1.00 0.00 S ATOM 1334 CE MET A 84 10.138 -1.796 -12.540 1.00 0.00 C ATOM 0 H MET A 84 7.579 3.504 -10.914 1.00 0.00 H new ATOM 0 HA MET A 84 7.582 2.116 -13.489 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.105 1.276 -11.047 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.230 0.028 -11.912 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.420 0.632 -14.000 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.285 1.896 -13.148 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.814 -2.649 -12.595 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.552 -1.856 -11.623 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.468 -1.808 -13.400 1.00 0.00 H new ATOM 1344 N VAL A 85 5.757 0.475 -12.507 1.00 0.00 N ATOM 1345 CA VAL A 85 4.463 -0.080 -12.129 1.00 0.00 C ATOM 1346 C VAL A 85 4.612 -1.119 -11.023 1.00 0.00 C ATOM 1347 O VAL A 85 5.491 -1.979 -11.080 1.00 0.00 O ATOM 1348 CB VAL A 85 3.756 -0.727 -13.334 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.445 -1.366 -12.904 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.523 0.302 -14.430 1.00 0.00 C ATOM 0 H VAL A 85 6.231 -0.033 -13.254 1.00 0.00 H new ATOM 0 HA VAL A 85 3.857 0.750 -11.765 1.00 0.00 H new ATOM 0 HB VAL A 85 4.400 -1.510 -13.734 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.960 -1.818 -13.769 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.643 -2.134 -12.156 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.792 -0.605 -12.478 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.022 -0.172 -15.274 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.899 1.109 -14.045 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.480 0.708 -14.757 1.00 0.00 H new ATOM 1360 N TYR A 86 3.748 -1.032 -10.018 1.00 0.00 N ATOM 1361 CA TYR A 86 3.784 -1.964 -8.897 1.00 0.00 C ATOM 1362 C TYR A 86 2.462 -2.714 -8.768 1.00 0.00 C ATOM 1363 O TYR A 86 1.387 -2.125 -8.885 1.00 0.00 O ATOM 1364 CB TYR A 86 4.089 -1.218 -7.596 1.00 0.00 C ATOM 1365 CG TYR A 86 5.310 -0.330 -7.680 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.542 -0.844 -8.065 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.232 1.022 -7.371 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.660 -0.036 -8.142 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.344 1.838 -7.447 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.556 1.304 -7.832 1.00 0.00 C ATOM 1371 OH TYR A 86 8.667 2.112 -7.907 1.00 0.00 O ATOM 0 H TYR A 86 3.014 -0.326 -9.956 1.00 0.00 H new ATOM 0 HA TYR A 86 4.575 -2.690 -9.087 1.00 0.00 H new ATOM 0 HB2 TYR A 86 3.226 -0.610 -7.324 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.232 -1.944 -6.796 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.627 -1.893 -8.308 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.285 1.443 -7.066 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.610 -0.451 -8.443 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.265 2.888 -7.206 1.00 0.00 H new ATOM 0 HH TYR A 86 9.273 1.771 -8.598 1.00 0.00 H new ATOM 1381 N PHE A 87 2.550 -4.018 -8.527 1.00 0.00 N ATOM 1382 CA PHE A 87 1.361 -4.850 -8.383 1.00 0.00 C ATOM 1383 C PHE A 87 1.217 -5.348 -6.947 1.00 0.00 C ATOM 1384 O PHE A 87 2.104 -6.017 -6.418 1.00 0.00 O ATOM 1385 CB PHE A 87 1.426 -6.039 -9.343 1.00 0.00 C ATOM 1386 CG PHE A 87 1.776 -5.654 -10.752 1.00 0.00 C ATOM 1387 CD1 PHE A 87 0.785 -5.313 -11.658 1.00 0.00 C ATOM 1388 CD2 PHE A 87 3.097 -5.634 -11.170 1.00 0.00 C ATOM 1389 CE1 PHE A 87 1.105 -4.957 -12.955 1.00 0.00 C ATOM 1390 CE2 PHE A 87 3.422 -5.279 -12.465 1.00 0.00 C ATOM 1391 CZ PHE A 87 2.425 -4.942 -13.359 1.00 0.00 C ATOM 0 H PHE A 87 3.432 -4.521 -8.427 1.00 0.00 H new ATOM 0 HA PHE A 87 0.490 -4.242 -8.627 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.164 -6.752 -8.976 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.463 -6.549 -9.343 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.249 -5.325 -11.348 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.881 -5.899 -10.476 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.323 -4.691 -13.651 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.456 -5.265 -12.778 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.677 -4.667 -14.372 1.00 0.00 H new ATOM 1401 N VAL A 88 0.091 -5.016 -6.322 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.171 -5.429 -4.949 1.00 0.00 C ATOM 1403 C VAL A 88 -1.474 -6.214 -4.850 1.00 0.00 C ATOM 1404 O VAL A 88 -2.466 -5.874 -5.494 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.242 -4.216 -4.002 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.067 -4.656 -2.557 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.806 -3.181 -4.384 1.00 0.00 C ATOM 0 H VAL A 88 -0.654 -4.462 -6.745 1.00 0.00 H new ATOM 0 HA VAL A 88 0.659 -6.068 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.226 -3.757 -4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.120 -3.786 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.858 -5.358 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.902 -5.140 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.742 -2.331 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.799 -3.626 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.629 -2.844 -5.405 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.465 -7.266 -4.038 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.652 -8.084 -3.869 1.00 0.00 C ATOM 1419 C GLY A 89 -2.401 -9.544 -4.190 1.00 0.00 C ATOM 1420 O GLY A 89 -1.656 -9.863 -5.116 1.00 0.00 O ATOM 0 H GLY A 89 -0.657 -7.567 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.006 -7.997 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.445 -7.705 -4.513 1.00 0.00 H new ATOM 1424 N GLU A 90 -3.024 -10.432 -3.423 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.862 -11.867 -3.630 1.00 0.00 C ATOM 1426 C GLU A 90 -4.130 -12.620 -3.238 1.00 0.00 C ATOM 1427 O GLU A 90 -4.735 -12.343 -2.203 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.675 -12.390 -2.819 1.00 0.00 C ATOM 1429 CG GLU A 90 -2.013 -12.690 -1.368 1.00 0.00 C ATOM 1430 CD GLU A 90 -2.227 -11.433 -0.548 1.00 0.00 C ATOM 1431 OE1 GLU A 90 -3.324 -10.843 -0.644 1.00 0.00 O ATOM 1432 OE2 GLU A 90 -1.300 -11.040 0.190 1.00 0.00 O ATOM 0 H GLU A 90 -3.645 -10.184 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.672 -12.036 -4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.296 -13.297 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.871 -11.654 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.913 -13.303 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.208 -13.276 -0.925 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.527 -13.573 -4.075 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.724 -14.366 -3.818 1.00 0.00 C ATOM 1441 C ASN A 91 -5.390 -15.853 -3.764 1.00 0.00 C ATOM 1442 O ASN A 91 -5.173 -16.489 -4.795 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.775 -14.106 -4.900 1.00 0.00 C ATOM 1444 CG ASN A 91 -7.593 -12.860 -4.624 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -7.091 -11.886 -4.064 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -8.861 -12.885 -5.017 1.00 0.00 N ATOM 0 H ASN A 91 -4.038 -13.815 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.127 -14.067 -2.850 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.281 -14.006 -5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.441 -14.966 -4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.460 -12.075 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.236 -13.714 -5.478 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.689 -12.311 1.372 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.025 -12.572 0.870 1.00 0.00 C ATOM 1648 C GLY A 107 -6.602 -11.393 0.113 1.00 0.00 C ATOM 1649 O GLY A 107 -5.952 -10.355 -0.023 1.00 0.00 O ATOM 0 HA2 GLY A 107 -6.000 -13.443 0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.681 -12.820 1.704 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.823 -11.551 -0.385 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.487 -10.491 -1.135 1.00 0.00 C ATOM 1655 C LEU A 108 -9.187 -9.515 -0.195 1.00 0.00 C ATOM 1656 O LEU A 108 -9.157 -8.302 -0.408 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.499 -11.089 -2.114 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.439 -10.095 -2.797 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.795 -9.527 -4.052 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.767 -10.760 -3.132 1.00 0.00 C ATOM 0 H LEU A 108 -8.374 -12.403 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.728 -9.946 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.952 -11.630 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.103 -11.821 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.630 -9.273 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.479 -8.822 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.871 -9.014 -3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.573 -10.338 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.423 -10.038 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.594 -11.601 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.236 -11.118 -2.216 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.814 -10.051 0.846 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.519 -9.227 1.821 1.00 0.00 C ATOM 1674 C ASP A 109 -9.621 -8.105 2.334 1.00 0.00 C ATOM 1675 O ASP A 109 -10.051 -6.957 2.454 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.002 -10.085 2.991 1.00 0.00 C ATOM 1677 CG ASP A 109 -9.856 -10.645 3.811 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -8.928 -11.228 3.213 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -9.887 -10.499 5.051 1.00 0.00 O ATOM 0 H ASP A 109 -9.849 -11.052 1.037 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.382 -8.781 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.647 -9.487 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.607 -10.907 2.609 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.372 -8.444 2.636 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.414 -7.465 3.136 1.00 0.00 C ATOM 1686 C VAL A 110 -7.071 -6.435 2.066 1.00 0.00 C ATOM 1687 O VAL A 110 -6.912 -5.250 2.359 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.116 -8.144 3.614 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.507 -8.978 2.497 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.125 -7.104 4.116 1.00 0.00 C ATOM 0 H VAL A 110 -8.000 -9.389 2.543 1.00 0.00 H new ATOM 0 HA VAL A 110 -7.886 -6.963 3.981 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.358 -8.811 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.591 -9.450 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.216 -9.747 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.277 -8.335 1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.214 -7.601 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.886 -6.411 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.565 -6.555 4.949 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.960 -6.895 0.824 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.638 -6.013 -0.291 1.00 0.00 C ATOM 1702 C ALA A 111 -7.753 -4.999 -0.528 1.00 0.00 C ATOM 1703 O ALA A 111 -7.504 -3.796 -0.596 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.386 -6.827 -1.552 1.00 0.00 C ATOM 0 H ALA A 111 -7.088 -7.873 0.565 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.731 -5.464 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.147 -6.156 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.552 -7.508 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.279 -7.401 -1.799 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.980 -5.494 -0.654 1.00 0.00 N ATOM 1711 CA GLN A 112 -10.131 -4.630 -0.885 1.00 0.00 C ATOM 1712 C GLN A 112 -10.103 -3.424 0.048 1.00 0.00 C ATOM 1713 O GLN A 112 -10.487 -2.320 -0.337 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.431 -5.413 -0.686 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.683 -6.457 -1.761 1.00 0.00 C ATOM 1716 CD GLN A 112 -13.078 -7.045 -1.688 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.873 -6.682 -0.820 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.384 -7.959 -2.601 1.00 0.00 N ATOM 0 H GLN A 112 -9.202 -6.488 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.084 -4.272 -1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.404 -5.904 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.267 -4.714 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.534 -6.006 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.950 -7.258 -1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.695 -8.230 -3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.308 -8.390 -2.601 1.00 0.00 H new ATOM 1727 N SER A 113 -9.645 -3.643 1.277 1.00 0.00 N ATOM 1728 CA SER A 113 -9.570 -2.574 2.266 1.00 0.00 C ATOM 1729 C SER A 113 -8.458 -1.589 1.918 1.00 0.00 C ATOM 1730 O SER A 113 -8.682 -0.380 1.859 1.00 0.00 O ATOM 1731 CB SER A 113 -9.333 -3.157 3.660 1.00 0.00 C ATOM 1732 OG SER A 113 -10.193 -4.256 3.907 1.00 0.00 O ATOM 0 H SER A 113 -9.321 -4.550 1.611 1.00 0.00 H new ATOM 0 HA SER A 113 -10.520 -2.039 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.295 -3.476 3.752 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.498 -2.386 4.413 1.00 0.00 H new ATOM 0 HG SER A 113 -9.855 -5.048 3.439 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.261 -2.115 1.690 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.113 -1.283 1.348 1.00 0.00 C ATOM 1740 C TRP A 114 -6.417 -0.407 0.138 1.00 0.00 C ATOM 1741 O TRP A 114 -6.346 0.819 0.215 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.889 -2.156 1.066 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.066 -2.437 2.287 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.180 -3.512 3.122 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.006 -1.630 2.811 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.253 -3.422 4.133 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.521 -2.277 3.964 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.418 -0.425 2.416 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.477 -1.757 4.725 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.383 0.090 3.173 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -0.920 -0.576 4.316 1.00 0.00 C ATOM 0 H TRP A 114 -7.059 -3.114 1.736 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.900 -0.635 2.198 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.217 -3.101 0.633 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.264 -1.664 0.321 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.893 -4.314 3.005 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.130 -4.098 4.887 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.766 0.094 1.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.120 -2.268 5.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.923 1.022 2.879 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.108 -0.149 4.885 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.755 -1.044 -0.979 1.00 0.00 N ATOM 1763 CA GLU A 115 -7.070 -0.320 -2.205 1.00 0.00 C ATOM 1764 C GLU A 115 -8.046 0.819 -1.929 1.00 0.00 C ATOM 1765 O GLU A 115 -7.817 1.960 -2.331 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.660 -1.272 -3.248 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.963 -0.604 -4.579 1.00 0.00 C ATOM 1768 CD GLU A 115 -9.084 -1.291 -5.334 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -10.255 -1.133 -4.932 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -8.789 -1.986 -6.329 1.00 0.00 O ATOM 0 H GLU A 115 -6.818 -2.059 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.145 0.105 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.963 -2.093 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.578 -1.708 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.232 0.438 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.063 -0.603 -5.194 1.00 0.00 H new ATOM 1777 N LYS A 116 -9.138 0.502 -1.241 1.00 0.00 N ATOM 1778 CA LYS A 116 -10.151 1.497 -0.910 1.00 0.00 C ATOM 1779 C LYS A 116 -9.520 2.714 -0.242 1.00 0.00 C ATOM 1780 O LYS A 116 -9.908 3.851 -0.509 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.211 0.888 0.011 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.272 0.090 -0.727 1.00 0.00 C ATOM 1783 CD LYS A 116 -12.940 -0.926 0.185 1.00 0.00 C ATOM 1784 CE LYS A 116 -13.728 -1.955 -0.611 1.00 0.00 C ATOM 1785 NZ LYS A 116 -14.583 -2.800 0.269 1.00 0.00 N ATOM 0 H LYS A 116 -9.344 -0.438 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.626 1.819 -1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.720 0.240 0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.695 1.687 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -13.024 0.768 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.818 -0.423 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.183 -1.431 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.606 -0.412 0.878 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -14.353 -1.446 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.038 -2.591 -1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.104 -3.489 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -13.984 -3.306 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.258 -2.196 0.780 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.544 2.468 0.626 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.858 3.544 1.329 1.00 0.00 C ATOM 1801 C ALA A 117 -6.869 4.255 0.412 1.00 0.00 C ATOM 1802 O ALA A 117 -7.006 5.449 0.143 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.144 3.000 2.558 1.00 0.00 C ATOM 0 H ALA A 117 -8.211 1.532 0.859 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.605 4.271 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.636 3.815 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.872 2.544 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.413 2.252 2.252 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.872 3.516 -0.063 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.861 4.077 -0.950 1.00 0.00 C ATOM 1811 C ILE A 118 -5.501 4.913 -2.054 1.00 0.00 C ATOM 1812 O ILE A 118 -4.962 5.944 -2.457 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.000 2.973 -1.592 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.273 2.170 -0.511 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.004 3.579 -2.569 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.644 0.895 -1.026 1.00 0.00 C ATOM 0 H ILE A 118 -5.743 2.527 0.152 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.223 4.714 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.654 2.297 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.498 2.794 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.978 1.923 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.403 2.786 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.542 4.111 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.353 4.275 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.146 0.378 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.417 0.251 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.914 1.136 -1.799 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.654 4.463 -2.537 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.368 5.170 -3.593 1.00 0.00 C ATOM 1830 C ARG A 119 -7.998 6.453 -3.059 1.00 0.00 C ATOM 1831 O ARG A 119 -7.792 7.533 -3.613 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.450 4.271 -4.196 1.00 0.00 C ATOM 1833 CG ARG A 119 -9.364 4.991 -5.175 1.00 0.00 C ATOM 1834 CD ARG A 119 -8.821 4.928 -6.594 1.00 0.00 C ATOM 1835 NE ARG A 119 -9.156 3.668 -7.252 1.00 0.00 N ATOM 1836 CZ ARG A 119 -9.101 3.489 -8.567 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -8.727 4.483 -9.360 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -9.421 2.313 -9.092 1.00 0.00 N ATOM 0 H ARG A 119 -7.114 3.612 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.650 5.434 -4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.973 3.434 -4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.053 3.852 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -10.357 4.543 -5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.475 6.032 -4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.224 5.758 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -7.738 5.050 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 119 -9.448 2.883 -6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -8.480 5.389 -8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.686 4.342 -10.369 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -9.710 1.545 -8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -9.378 2.177 -10.102 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.765 6.326 -1.982 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.425 7.476 -1.374 1.00 0.00 C ATOM 1854 C GLN A 120 -8.407 8.536 -0.968 1.00 0.00 C ATOM 1855 O GLN A 120 -8.497 9.690 -1.387 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.238 7.039 -0.155 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.383 7.979 0.182 1.00 0.00 C ATOM 1858 CD GLN A 120 -12.118 7.575 1.445 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -13.250 7.093 1.391 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -11.477 7.770 2.591 1.00 0.00 N ATOM 0 H GLN A 120 -8.945 5.439 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 120 -10.098 7.909 -2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.639 6.042 -0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.574 6.965 0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.995 8.991 0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -12.086 8.003 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -10.540 8.172 2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -11.922 7.517 3.474 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.438 8.137 -0.150 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.402 9.053 0.311 1.00 0.00 C ATOM 1871 C ALA A 121 -6.056 10.077 -0.765 1.00 0.00 C ATOM 1872 O ALA A 121 -5.928 11.269 -0.483 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.159 8.278 0.724 1.00 0.00 C ATOM 0 H ALA A 121 -7.349 7.186 0.207 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.786 9.591 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.393 8.974 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.411 7.590 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.782 7.714 -0.129 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.906 9.605 -1.998 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.574 10.481 -3.116 1.00 0.00 C ATOM 1881 C LEU A 122 -6.470 11.715 -3.127 1.00 0.00 C ATOM 1882 O LEU A 122 -5.996 12.840 -2.977 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.711 9.725 -4.439 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.855 8.467 -4.585 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -5.264 7.683 -5.823 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.379 8.830 -4.646 1.00 0.00 C ATOM 0 H LEU A 122 -6.009 8.622 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.541 10.807 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.757 9.446 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.461 10.407 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 122 -5.018 7.837 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.644 6.791 -5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.311 7.390 -5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.131 8.305 -6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.785 7.922 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.199 9.481 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.093 9.348 -3.730 1.00 0.00 H new