USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 685 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 52 GLN :FLIP amide:sc= -3.19! C(o=-16!,f=-9.4!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.639 USER MOD Set 1.3: A 107 MET CE :methyl 173:sc= -5.59! (180deg=-4.36!) USER MOD Single : A 7 THR OG1 : rot -46:sc= 0.264 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.548 F(o=-1.9,f=-0.55) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 116:sc= 0.948 USER MOD Single : A 47 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-3.8!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -3.72! C(o=-3.7!,f=-5.1!) USER MOD Single : A 64 SER OG : rot -76:sc= -0.0289 USER MOD Single : A 70 ASN : amide:sc= -0.418 K(o=-0.42,f=-1.7) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.103 K(o=0.1,f=-1.1) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -149:sc= -0.501 USER MOD Single : A 89 ASN :FLIP amide:sc= -2.18 F(o=-4.6!,f=-2.2) USER MOD Single : A 104 CYS SG : rot -2:sc= 0.248 USER MOD Single : A 106 MET CE :methyl 145:sc= -0.0984 (180deg=-1.97!) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 7 1.927 -18.754 -1.413 1.00 0.00 N ATOM 82 CA THR A 7 0.611 -18.259 -1.024 1.00 0.00 C ATOM 83 C THR A 7 0.202 -17.067 -1.883 1.00 0.00 C ATOM 84 O THR A 7 -0.710 -16.319 -1.530 1.00 0.00 O ATOM 85 CB THR A 7 0.610 -17.859 0.455 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.714 -17.741 0.942 1.00 0.00 O ATOM 87 CG2 THR A 7 1.319 -16.547 0.725 1.00 0.00 C ATOM 0 HA THR A 7 -0.111 -19.061 -1.178 1.00 0.00 H new ATOM 0 HB THR A 7 1.150 -18.655 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.253 -17.229 0.304 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.280 -16.325 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.359 -16.623 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.828 -15.747 0.170 1.00 0.00 H new ATOM 95 N CYS A 8 0.886 -16.892 -3.009 1.00 0.00 N ATOM 96 CA CYS A 8 0.594 -15.784 -3.909 1.00 0.00 C ATOM 97 C CYS A 8 0.132 -16.281 -5.278 1.00 0.00 C ATOM 98 O CYS A 8 0.933 -16.410 -6.204 1.00 0.00 O ATOM 99 CB CYS A 8 1.825 -14.888 -4.056 1.00 0.00 C ATOM 100 SG CYS A 8 2.842 -14.778 -2.548 1.00 0.00 S ATOM 0 H CYS A 8 1.643 -17.501 -3.319 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.221 -15.204 -3.475 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.442 -15.265 -4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.501 -13.886 -4.338 1.00 0.00 H new ATOM 105 N PRO A 9 -1.175 -16.570 -5.421 1.00 0.00 N ATOM 106 CA PRO A 9 -1.744 -17.054 -6.679 1.00 0.00 C ATOM 107 C PRO A 9 -1.959 -15.936 -7.698 1.00 0.00 C ATOM 108 O PRO A 9 -1.311 -15.904 -8.744 1.00 0.00 O ATOM 109 CB PRO A 9 -3.081 -17.656 -6.246 1.00 0.00 C ATOM 110 CG PRO A 9 -3.476 -16.876 -5.039 1.00 0.00 C ATOM 111 CD PRO A 9 -2.198 -16.449 -4.363 1.00 0.00 C ATOM 0 HA PRO A 9 -1.083 -17.760 -7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.828 -17.569 -7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.981 -18.717 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.075 -16.009 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.085 -17.482 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.266 -15.427 -3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.966 -17.086 -3.509 1.00 0.00 H new ATOM 119 N GLU A 10 -2.875 -15.025 -7.386 1.00 0.00 N ATOM 120 CA GLU A 10 -3.179 -13.908 -8.276 1.00 0.00 C ATOM 121 C GLU A 10 -2.998 -12.570 -7.564 1.00 0.00 C ATOM 122 O GLU A 10 -1.992 -11.887 -7.755 1.00 0.00 O ATOM 123 CB GLU A 10 -4.609 -14.023 -8.813 1.00 0.00 C ATOM 124 CG GLU A 10 -5.215 -15.408 -8.654 1.00 0.00 C ATOM 125 CD GLU A 10 -6.241 -15.722 -9.725 1.00 0.00 C ATOM 126 OE1 GLU A 10 -5.841 -15.908 -10.894 1.00 0.00 O ATOM 127 OE2 GLU A 10 -7.444 -15.781 -9.395 1.00 0.00 O ATOM 0 H GLU A 10 -3.420 -15.037 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.480 -13.950 -9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.240 -13.299 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.613 -13.754 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.421 -16.154 -8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.684 -15.485 -7.673 1.00 0.00 H new ATOM 134 N LYS A 11 -3.981 -12.203 -6.746 1.00 0.00 N ATOM 135 CA LYS A 11 -3.935 -10.947 -6.004 1.00 0.00 C ATOM 136 C LYS A 11 -2.633 -10.829 -5.221 1.00 0.00 C ATOM 137 O LYS A 11 -1.972 -9.792 -5.241 1.00 0.00 O ATOM 138 CB LYS A 11 -5.127 -10.848 -5.051 1.00 0.00 C ATOM 139 CG LYS A 11 -6.465 -11.120 -5.722 1.00 0.00 C ATOM 140 CD LYS A 11 -7.628 -10.729 -4.825 1.00 0.00 C ATOM 141 CE LYS A 11 -8.238 -9.403 -5.249 1.00 0.00 C ATOM 142 NZ LYS A 11 -9.714 -9.387 -5.068 1.00 0.00 N ATOM 0 H LYS A 11 -4.820 -12.759 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.985 -10.128 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.989 -11.556 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.147 -9.852 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.523 -10.564 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.538 -12.178 -5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.390 -11.508 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.285 -10.659 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.792 -8.596 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.999 -9.212 -6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.091 -8.465 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.142 -10.140 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.943 -9.544 -4.066 1.00 0.00 H new ATOM 156 N TRP A 12 -2.269 -11.907 -4.541 1.00 0.00 N ATOM 157 CA TRP A 12 -1.045 -11.946 -3.755 1.00 0.00 C ATOM 158 C TRP A 12 0.173 -11.976 -4.676 1.00 0.00 C ATOM 159 O TRP A 12 0.176 -12.680 -5.687 1.00 0.00 O ATOM 160 CB TRP A 12 -1.041 -13.169 -2.838 1.00 0.00 C ATOM 161 CG TRP A 12 -2.018 -13.074 -1.707 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.369 -12.908 -1.800 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.717 -13.145 -0.308 1.00 0.00 C ATOM 164 NE1 TRP A 12 -3.928 -12.869 -0.545 1.00 0.00 N ATOM 165 CE2 TRP A 12 -2.934 -13.013 0.387 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.537 -13.308 0.424 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.003 -13.039 1.779 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.608 -13.333 1.805 1.00 0.00 C ATOM 169 CH2 TRP A 12 -1.833 -13.199 2.469 1.00 0.00 C ATOM 0 H TRP A 12 -2.809 -12.772 -4.518 1.00 0.00 H new ATOM 0 HA TRP A 12 -0.998 -11.048 -3.139 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.267 -14.056 -3.429 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.039 -13.304 -2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.919 -12.820 -2.725 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.920 -12.752 -0.341 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.413 -13.412 -0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.947 -12.936 2.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.297 -13.458 2.381 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.855 -13.222 3.549 1.00 0.00 H new ATOM 180 N ILE A 13 1.201 -11.207 -4.331 1.00 0.00 N ATOM 181 CA ILE A 13 2.414 -11.148 -5.143 1.00 0.00 C ATOM 182 C ILE A 13 3.671 -11.312 -4.288 1.00 0.00 C ATOM 183 O ILE A 13 3.870 -10.584 -3.320 1.00 0.00 O ATOM 184 CB ILE A 13 2.511 -9.814 -5.911 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.159 -9.080 -5.907 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.995 -10.062 -7.328 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.288 -9.358 -7.120 1.00 0.00 C ATOM 0 H ILE A 13 1.220 -10.618 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 13 2.351 -11.973 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 13 3.235 -9.173 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.610 -9.362 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.342 -8.007 -5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.060 -9.114 -7.862 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.979 -10.531 -7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.294 -10.720 -7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.645 -8.800 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.813 -9.049 -8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.069 -10.424 -7.174 1.00 0.00 H new ATOM 199 N ASN A 14 4.520 -12.270 -4.661 1.00 0.00 N ATOM 200 CA ASN A 14 5.760 -12.530 -3.930 1.00 0.00 C ATOM 201 C ASN A 14 6.976 -12.017 -4.695 1.00 0.00 C ATOM 202 O ASN A 14 6.960 -11.931 -5.923 1.00 0.00 O ATOM 203 CB ASN A 14 5.914 -14.024 -3.648 1.00 0.00 C ATOM 204 CG ASN A 14 7.265 -14.366 -3.050 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.451 -14.027 -1.780 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 8.130 -14.929 -3.720 1.00 0.00 N flip ATOM 0 H ASN A 14 4.371 -12.879 -5.466 1.00 0.00 H new ATOM 0 HA ASN A 14 5.702 -11.993 -2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.127 -14.345 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.779 -14.581 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.944 -15.171 -4.693 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.033 -15.153 -3.302 1.00 0.00 H new ATOM 213 N PHE A 15 8.028 -11.670 -3.956 1.00 0.00 N ATOM 214 CA PHE A 15 9.254 -11.157 -4.557 1.00 0.00 C ATOM 215 C PHE A 15 10.479 -11.895 -4.014 1.00 0.00 C ATOM 216 O PHE A 15 10.526 -13.125 -4.032 1.00 0.00 O ATOM 217 CB PHE A 15 9.378 -9.654 -4.296 1.00 0.00 C ATOM 218 CG PHE A 15 8.081 -8.913 -4.424 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.238 -8.777 -3.333 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.701 -8.354 -5.634 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.044 -8.097 -3.445 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.505 -7.672 -5.752 1.00 0.00 C ATOM 223 CZ PHE A 15 5.675 -7.544 -4.656 1.00 0.00 C ATOM 0 H PHE A 15 8.054 -11.736 -2.938 1.00 0.00 H new ATOM 0 HA PHE A 15 9.207 -11.327 -5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.777 -9.500 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.099 -9.231 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.519 -9.209 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.347 -8.453 -6.494 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.397 -7.997 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.220 -7.240 -6.700 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.739 -7.013 -4.745 1.00 0.00 H new ATOM 233 N GLN A 16 11.468 -11.138 -3.534 1.00 0.00 N ATOM 234 CA GLN A 16 12.687 -11.724 -2.988 1.00 0.00 C ATOM 235 C GLN A 16 12.363 -12.795 -1.954 1.00 0.00 C ATOM 236 O GLN A 16 12.942 -13.882 -1.971 1.00 0.00 O ATOM 237 CB GLN A 16 13.561 -10.637 -2.358 1.00 0.00 C ATOM 238 CG GLN A 16 13.847 -9.470 -3.289 1.00 0.00 C ATOM 239 CD GLN A 16 15.149 -9.636 -4.049 1.00 0.00 C ATOM 240 OE1 GLN A 16 15.479 -10.730 -4.506 1.00 0.00 O ATOM 241 NE2 GLN A 16 15.895 -8.546 -4.188 1.00 0.00 N ATOM 0 H GLN A 16 11.446 -10.118 -3.514 1.00 0.00 H new ATOM 0 HA GLN A 16 13.233 -12.192 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.069 -10.262 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.506 -11.080 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.027 -9.367 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.884 -8.548 -2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.582 -7.660 -3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.781 -8.595 -4.690 1.00 0.00 H new ATOM 250 N ARG A 17 11.430 -12.487 -1.056 1.00 0.00 N ATOM 251 CA ARG A 17 11.032 -13.434 -0.020 1.00 0.00 C ATOM 252 C ARG A 17 9.727 -13.011 0.646 1.00 0.00 C ATOM 253 O ARG A 17 9.213 -13.711 1.518 1.00 0.00 O ATOM 254 CB ARG A 17 12.135 -13.571 1.030 1.00 0.00 C ATOM 255 CG ARG A 17 12.581 -12.245 1.622 1.00 0.00 C ATOM 256 CD ARG A 17 13.952 -11.839 1.107 1.00 0.00 C ATOM 257 NE ARG A 17 14.953 -11.820 2.171 1.00 0.00 N ATOM 258 CZ ARG A 17 16.054 -11.077 2.135 1.00 0.00 C ATOM 259 NH1 ARG A 17 16.294 -10.293 1.091 1.00 0.00 N ATOM 260 NH2 ARG A 17 16.916 -11.118 3.140 1.00 0.00 N ATOM 0 H ARG A 17 10.938 -11.594 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 17 10.872 -14.401 -0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.782 -14.217 1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.995 -14.065 0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.854 -11.472 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.607 -12.321 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.266 -12.532 0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.890 -10.851 0.650 1.00 0.00 H new ATOM 0 HE ARG A 17 14.798 -12.411 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.633 -10.260 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.140 -9.723 1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.735 -11.721 3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.761 -10.547 3.111 1.00 0.00 H new ATOM 274 N LYS A 18 9.190 -11.871 0.226 1.00 0.00 N ATOM 275 CA LYS A 18 7.945 -11.371 0.779 1.00 0.00 C ATOM 276 C LYS A 18 6.850 -11.383 -0.263 1.00 0.00 C ATOM 277 O LYS A 18 7.106 -11.372 -1.463 1.00 0.00 O ATOM 278 CB LYS A 18 8.103 -9.952 1.310 1.00 0.00 C ATOM 279 CG LYS A 18 8.344 -8.925 0.223 1.00 0.00 C ATOM 280 CD LYS A 18 9.668 -8.211 0.422 1.00 0.00 C ATOM 281 CE LYS A 18 9.463 -6.785 0.909 1.00 0.00 C ATOM 282 NZ LYS A 18 10.676 -6.248 1.584 1.00 0.00 N ATOM 0 H LYS A 18 9.600 -11.278 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 18 7.674 -12.032 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.206 -9.678 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.934 -9.926 2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.335 -9.414 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.533 -8.197 0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.274 -8.760 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.222 -8.200 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.205 -6.147 0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.620 -6.755 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.495 -5.274 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.908 -6.842 2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.475 -6.252 0.918 1.00 0.00 H new ATOM 296 N CYS A 19 5.630 -11.384 0.220 1.00 0.00 N ATOM 297 CA CYS A 19 4.464 -11.376 -0.638 1.00 0.00 C ATOM 298 C CYS A 19 3.576 -10.195 -0.287 1.00 0.00 C ATOM 299 O CYS A 19 3.751 -9.565 0.754 1.00 0.00 O ATOM 300 CB CYS A 19 3.688 -12.691 -0.511 1.00 0.00 C ATOM 301 SG CYS A 19 2.419 -12.938 -1.797 1.00 0.00 S ATOM 0 H CYS A 19 5.416 -11.390 1.217 1.00 0.00 H new ATOM 0 HA CYS A 19 4.790 -11.278 -1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.393 -13.521 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.209 -12.724 0.467 1.00 0.00 H new ATOM 306 N TYR A 20 2.630 -9.897 -1.159 1.00 0.00 N ATOM 307 CA TYR A 20 1.718 -8.787 -0.946 1.00 0.00 C ATOM 308 C TYR A 20 0.285 -9.277 -1.003 1.00 0.00 C ATOM 309 O TYR A 20 -0.087 -10.018 -1.905 1.00 0.00 O ATOM 310 CB TYR A 20 1.906 -7.709 -2.022 1.00 0.00 C ATOM 311 CG TYR A 20 3.065 -6.759 -1.798 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.083 -7.045 -0.897 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.128 -5.563 -2.500 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.132 -6.164 -0.705 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.170 -4.678 -2.313 1.00 0.00 C ATOM 316 CZ TYR A 20 5.170 -4.983 -1.415 1.00 0.00 C ATOM 317 OH TYR A 20 6.211 -4.103 -1.226 1.00 0.00 O ATOM 0 H TYR A 20 2.473 -10.411 -2.026 1.00 0.00 H new ATOM 0 HA TYR A 20 1.934 -8.361 0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.043 -8.201 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.988 -7.125 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.055 -7.969 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.347 -5.321 -3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.917 -6.400 -0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.202 -3.752 -2.867 1.00 0.00 H new ATOM 0 HH TYR A 20 6.087 -3.321 -1.803 1.00 0.00 H new ATOM 327 N TYR A 21 -0.520 -8.842 -0.051 1.00 0.00 N ATOM 328 CA TYR A 21 -1.914 -9.224 -0.018 1.00 0.00 C ATOM 329 C TYR A 21 -2.736 -8.107 -0.641 1.00 0.00 C ATOM 330 O TYR A 21 -2.857 -7.017 -0.084 1.00 0.00 O ATOM 331 CB TYR A 21 -2.351 -9.490 1.426 1.00 0.00 C ATOM 332 CG TYR A 21 -3.847 -9.460 1.639 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.711 -10.077 0.745 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.391 -8.816 2.742 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.076 -10.051 0.941 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.754 -8.786 2.948 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.596 -9.404 2.044 1.00 0.00 C ATOM 338 OH TYR A 21 -7.957 -9.377 2.245 1.00 0.00 O ATOM 0 H TYR A 21 -0.230 -8.225 0.707 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.068 -10.142 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.971 -10.464 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.888 -8.747 2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.308 -10.586 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.736 -8.331 3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.735 -10.535 0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.161 -8.282 3.812 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.156 -8.883 3.067 1.00 0.00 H new ATOM 348 N PHE A 22 -3.267 -8.384 -1.821 1.00 0.00 N ATOM 349 CA PHE A 22 -4.045 -7.412 -2.563 1.00 0.00 C ATOM 350 C PHE A 22 -5.541 -7.676 -2.417 1.00 0.00 C ATOM 351 O PHE A 22 -6.015 -8.780 -2.687 1.00 0.00 O ATOM 352 CB PHE A 22 -3.632 -7.472 -4.038 1.00 0.00 C ATOM 353 CG PHE A 22 -2.284 -6.857 -4.336 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.486 -6.354 -3.320 1.00 0.00 C ATOM 355 CD2 PHE A 22 -1.813 -6.793 -5.640 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.250 -5.799 -3.597 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.577 -6.238 -5.922 1.00 0.00 C ATOM 358 CZ PHE A 22 0.207 -5.742 -4.897 1.00 0.00 C ATOM 0 H PHE A 22 -3.170 -9.286 -2.288 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.849 -6.417 -2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.620 -8.514 -4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.389 -6.964 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.834 -6.396 -2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.419 -7.181 -6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.358 -5.410 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.225 -6.192 -6.942 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.174 -5.312 -5.113 1.00 0.00 H new ATOM 368 N GLY A 23 -6.277 -6.657 -1.987 1.00 0.00 N ATOM 369 CA GLY A 23 -7.712 -6.797 -1.810 1.00 0.00 C ATOM 370 C GLY A 23 -8.472 -5.549 -2.214 1.00 0.00 C ATOM 371 O GLY A 23 -7.906 -4.639 -2.820 1.00 0.00 O ATOM 0 H GLY A 23 -5.906 -5.735 -1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.067 -7.642 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.925 -7.026 -0.766 1.00 0.00 H new ATOM 375 N LYS A 24 -9.758 -5.507 -1.878 1.00 0.00 N ATOM 376 CA LYS A 24 -10.598 -4.363 -2.210 1.00 0.00 C ATOM 377 C LYS A 24 -11.334 -3.851 -0.976 1.00 0.00 C ATOM 378 O LYS A 24 -11.598 -4.605 -0.039 1.00 0.00 O ATOM 379 CB LYS A 24 -11.599 -4.739 -3.304 1.00 0.00 C ATOM 380 CG LYS A 24 -12.623 -3.654 -3.600 1.00 0.00 C ATOM 381 CD LYS A 24 -13.752 -4.177 -4.474 1.00 0.00 C ATOM 382 CE LYS A 24 -14.846 -3.137 -4.652 1.00 0.00 C ATOM 383 NZ LYS A 24 -16.099 -3.523 -3.947 1.00 0.00 N ATOM 0 H LYS A 24 -10.240 -6.253 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.954 -3.565 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.053 -4.969 -4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.122 -5.648 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.032 -3.273 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.134 -2.817 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.357 -4.461 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.173 -5.077 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.498 -2.176 -4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.053 -3.006 -5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.820 -2.788 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.445 -4.428 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.908 -3.623 -2.930 1.00 0.00 H new ATOM 440 N GLN A 28 -10.486 4.638 4.467 1.00 0.00 N ATOM 441 CA GLN A 28 -9.387 5.586 4.618 1.00 0.00 C ATOM 442 C GLN A 28 -8.056 4.855 4.773 1.00 0.00 C ATOM 443 O GLN A 28 -8.021 3.629 4.881 1.00 0.00 O ATOM 444 CB GLN A 28 -9.630 6.491 5.827 1.00 0.00 C ATOM 445 CG GLN A 28 -10.854 7.382 5.683 1.00 0.00 C ATOM 446 CD GLN A 28 -11.209 8.097 6.972 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.859 9.261 7.167 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.908 7.400 7.862 1.00 0.00 N ATOM 0 HA GLN A 28 -9.341 6.199 3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.744 5.872 6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.752 7.117 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.672 8.119 4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.703 6.778 5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.177 6.437 7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.176 7.828 8.748 1.00 0.00 H new ATOM 457 N TRP A 29 -6.965 5.616 4.785 1.00 0.00 N ATOM 458 CA TRP A 29 -5.632 5.039 4.928 1.00 0.00 C ATOM 459 C TRP A 29 -5.496 4.308 6.258 1.00 0.00 C ATOM 460 O TRP A 29 -5.010 3.177 6.310 1.00 0.00 O ATOM 461 CB TRP A 29 -4.564 6.130 4.822 1.00 0.00 C ATOM 462 CG TRP A 29 -3.183 5.634 5.124 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.294 5.097 4.239 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.536 5.622 6.402 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.134 4.749 4.889 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.258 5.064 6.217 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.913 6.029 7.684 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.356 4.902 7.265 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.017 5.868 8.725 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.752 5.309 8.509 1.00 0.00 C ATOM 0 H TRP A 29 -6.978 6.632 4.698 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.488 4.320 4.121 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.581 6.549 3.816 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.811 6.939 5.509 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.475 4.965 3.183 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.314 4.325 4.454 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.887 6.462 7.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.621 4.471 7.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.298 6.179 9.721 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.074 5.197 9.342 1.00 0.00 H new ATOM 481 N VAL A 30 -5.925 4.964 7.328 1.00 0.00 N ATOM 482 CA VAL A 30 -5.853 4.384 8.663 1.00 0.00 C ATOM 483 C VAL A 30 -6.556 3.035 8.711 1.00 0.00 C ATOM 484 O VAL A 30 -6.172 2.151 9.477 1.00 0.00 O ATOM 485 CB VAL A 30 -6.478 5.317 9.717 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.569 6.507 9.984 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.857 5.780 9.271 1.00 0.00 C ATOM 0 H VAL A 30 -6.328 5.901 7.297 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.796 4.249 8.894 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.591 4.759 10.647 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.028 7.155 10.731 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.606 6.154 10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.421 7.067 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.282 6.438 10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.772 6.320 8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.506 4.914 9.137 1.00 0.00 H new ATOM 497 N HIS A 31 -7.586 2.882 7.890 1.00 0.00 N ATOM 498 CA HIS A 31 -8.337 1.637 7.843 1.00 0.00 C ATOM 499 C HIS A 31 -7.515 0.535 7.187 1.00 0.00 C ATOM 500 O HIS A 31 -7.642 -0.636 7.541 1.00 0.00 O ATOM 501 CB HIS A 31 -9.653 1.833 7.088 1.00 0.00 C ATOM 502 CG HIS A 31 -10.852 1.355 7.847 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.479 2.109 8.817 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.543 0.192 7.774 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.500 1.431 9.308 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.560 0.264 8.692 1.00 0.00 N ATOM 0 H HIS A 31 -7.919 3.603 7.250 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.562 1.338 8.867 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.777 2.891 6.857 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.600 1.303 6.137 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.332 -0.638 7.115 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.172 1.772 10.082 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.250 -0.465 8.870 1.00 0.00 H new ATOM 515 N ALA A 32 -6.671 0.914 6.232 1.00 0.00 N ATOM 516 CA ALA A 32 -5.834 -0.056 5.541 1.00 0.00 C ATOM 517 C ALA A 32 -4.744 -0.582 6.463 1.00 0.00 C ATOM 518 O ALA A 32 -4.548 -1.789 6.579 1.00 0.00 O ATOM 519 CB ALA A 32 -5.221 0.565 4.296 1.00 0.00 C ATOM 0 H ALA A 32 -6.550 1.878 5.922 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.461 -0.895 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.598 -0.173 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.015 0.892 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.610 1.422 4.580 1.00 0.00 H new ATOM 525 N ARG A 33 -4.046 0.331 7.128 1.00 0.00 N ATOM 526 CA ARG A 33 -2.984 -0.044 8.050 1.00 0.00 C ATOM 527 C ARG A 33 -3.529 -0.899 9.187 1.00 0.00 C ATOM 528 O ARG A 33 -2.881 -1.846 9.631 1.00 0.00 O ATOM 529 CB ARG A 33 -2.292 1.197 8.615 1.00 0.00 C ATOM 530 CG ARG A 33 -3.249 2.213 9.213 1.00 0.00 C ATOM 531 CD ARG A 33 -2.682 2.835 10.478 1.00 0.00 C ATOM 532 NE ARG A 33 -2.670 1.892 11.593 1.00 0.00 N ATOM 533 CZ ARG A 33 -1.639 1.740 12.420 1.00 0.00 C ATOM 534 NH1 ARG A 33 -0.541 2.465 12.257 1.00 0.00 N ATOM 535 NH2 ARG A 33 -1.707 0.861 13.410 1.00 0.00 N ATOM 0 H ARG A 33 -4.197 1.336 7.045 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.252 -0.630 7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.580 0.888 9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.719 1.675 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.454 2.995 8.482 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.200 1.730 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.667 3.184 10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.274 3.709 10.749 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.499 1.318 11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.485 3.142 11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.248 2.346 12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.550 0.301 13.538 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.916 0.745 14.044 1.00 0.00 H new ATOM 549 N TYR A 34 -4.727 -0.560 9.652 1.00 0.00 N ATOM 550 CA TYR A 34 -5.359 -1.299 10.737 1.00 0.00 C ATOM 551 C TYR A 34 -5.832 -2.666 10.258 1.00 0.00 C ATOM 552 O TYR A 34 -5.877 -3.624 11.030 1.00 0.00 O ATOM 553 CB TYR A 34 -6.537 -0.507 11.305 1.00 0.00 C ATOM 554 CG TYR A 34 -6.562 -0.457 12.817 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.990 -1.550 13.559 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.157 0.684 13.500 1.00 0.00 C ATOM 557 CE1 TYR A 34 -7.014 -1.508 14.941 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.179 0.732 14.881 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.607 -0.365 15.596 1.00 0.00 C ATOM 560 OH TYR A 34 -6.630 -0.319 16.971 1.00 0.00 O ATOM 0 H TYR A 34 -5.278 0.220 9.295 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.619 -1.446 11.524 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.500 0.511 10.917 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.467 -0.950 10.949 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.309 -2.447 13.049 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.820 1.546 12.943 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.350 -2.366 15.504 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.862 1.626 15.398 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.311 0.557 17.274 1.00 0.00 H new ATOM 570 N ALA A 35 -6.185 -2.750 8.980 1.00 0.00 N ATOM 571 CA ALA A 35 -6.656 -3.998 8.399 1.00 0.00 C ATOM 572 C ALA A 35 -5.517 -4.996 8.247 1.00 0.00 C ATOM 573 O ALA A 35 -5.681 -6.187 8.515 1.00 0.00 O ATOM 574 CB ALA A 35 -7.322 -3.742 7.056 1.00 0.00 C ATOM 0 H ALA A 35 -6.153 -1.967 8.327 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.393 -4.428 9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.668 -4.686 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.171 -3.073 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.604 -3.283 6.376 1.00 0.00 H new ATOM 580 N CYS A 36 -4.361 -4.503 7.825 1.00 0.00 N ATOM 581 CA CYS A 36 -3.193 -5.353 7.648 1.00 0.00 C ATOM 582 C CYS A 36 -2.595 -5.713 9.001 1.00 0.00 C ATOM 583 O CYS A 36 -1.974 -6.765 9.160 1.00 0.00 O ATOM 584 CB CYS A 36 -2.144 -4.651 6.782 1.00 0.00 C ATOM 585 SG CYS A 36 -2.840 -3.680 5.406 1.00 0.00 S ATOM 0 H CYS A 36 -4.207 -3.520 7.599 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.506 -6.267 7.144 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.550 -3.991 7.414 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.464 -5.400 6.376 1.00 0.00 H new ATOM 590 N ASP A 37 -2.791 -4.829 9.972 1.00 0.00 N ATOM 591 CA ASP A 37 -2.279 -5.044 11.320 1.00 0.00 C ATOM 592 C ASP A 37 -3.110 -6.085 12.061 1.00 0.00 C ATOM 593 O ASP A 37 -2.634 -6.719 13.003 1.00 0.00 O ATOM 594 CB ASP A 37 -2.272 -3.729 12.102 1.00 0.00 C ATOM 595 CG ASP A 37 -0.928 -3.030 12.049 1.00 0.00 C ATOM 596 OD1 ASP A 37 0.091 -3.681 12.362 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.894 -1.833 11.694 1.00 0.00 O ATOM 0 H ASP A 37 -3.302 -3.955 9.851 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.258 -5.415 11.237 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.039 -3.067 11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.535 -3.927 13.141 1.00 0.00 H new ATOM 602 N ASP A 38 -4.359 -6.249 11.633 1.00 0.00 N ATOM 603 CA ASP A 38 -5.266 -7.203 12.259 1.00 0.00 C ATOM 604 C ASP A 38 -4.701 -8.620 12.212 1.00 0.00 C ATOM 605 O ASP A 38 -4.827 -9.377 13.175 1.00 0.00 O ATOM 606 CB ASP A 38 -6.631 -7.166 11.572 1.00 0.00 C ATOM 607 CG ASP A 38 -7.773 -7.023 12.560 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.752 -6.062 13.357 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.688 -7.873 12.536 1.00 0.00 O ATOM 0 H ASP A 38 -4.765 -5.732 10.853 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.380 -6.916 13.304 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.658 -6.335 10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.768 -8.079 10.993 1.00 0.00 H new ATOM 614 N MET A 39 -4.078 -8.970 11.090 1.00 0.00 N ATOM 615 CA MET A 39 -3.494 -10.299 10.921 1.00 0.00 C ATOM 616 C MET A 39 -2.841 -10.454 9.550 1.00 0.00 C ATOM 617 O MET A 39 -1.923 -11.256 9.383 1.00 0.00 O ATOM 618 CB MET A 39 -4.565 -11.379 11.102 1.00 0.00 C ATOM 619 CG MET A 39 -5.775 -11.193 10.201 1.00 0.00 C ATOM 620 SD MET A 39 -6.399 -12.751 9.543 1.00 0.00 S ATOM 621 CE MET A 39 -7.792 -13.045 10.628 1.00 0.00 C ATOM 0 H MET A 39 -3.964 -8.354 10.285 1.00 0.00 H new ATOM 0 HA MET A 39 -2.724 -10.417 11.683 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.122 -12.355 10.904 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.893 -11.383 12.141 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.567 -10.697 10.762 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.509 -10.535 9.374 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.283 -13.977 10.346 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.442 -13.116 11.658 1.00 0.00 H new ATOM 0 HE3 MET A 39 -8.501 -12.221 10.542 1.00 0.00 H new ATOM 631 N GLU A 40 -3.328 -9.694 8.570 1.00 0.00 N ATOM 632 CA GLU A 40 -2.801 -9.755 7.210 1.00 0.00 C ATOM 633 C GLU A 40 -1.272 -9.720 7.201 1.00 0.00 C ATOM 634 O GLU A 40 -0.623 -10.767 7.203 1.00 0.00 O ATOM 635 CB GLU A 40 -3.362 -8.605 6.371 1.00 0.00 C ATOM 636 CG GLU A 40 -4.881 -8.565 6.331 1.00 0.00 C ATOM 637 CD GLU A 40 -5.500 -9.935 6.130 1.00 0.00 C ATOM 638 OE1 GLU A 40 -5.007 -10.690 5.264 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.478 -10.255 6.838 1.00 0.00 O ATOM 0 H GLU A 40 -4.089 -9.027 8.695 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.117 -10.702 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.993 -7.661 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.982 -8.690 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.253 -8.136 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.201 -7.905 5.525 1.00 0.00 H new ATOM 646 N GLY A 41 -0.700 -8.519 7.187 1.00 0.00 N ATOM 647 CA GLY A 41 0.750 -8.397 7.175 1.00 0.00 C ATOM 648 C GLY A 41 1.246 -7.059 7.686 1.00 0.00 C ATOM 649 O GLY A 41 1.448 -6.874 8.886 1.00 0.00 O ATOM 0 H GLY A 41 -1.208 -7.635 7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.179 -9.192 7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.111 -8.545 6.157 1.00 0.00 H new ATOM 653 N GLN A 42 1.467 -6.141 6.760 1.00 0.00 N ATOM 654 CA GLN A 42 1.973 -4.816 7.069 1.00 0.00 C ATOM 655 C GLN A 42 1.523 -3.871 5.982 1.00 0.00 C ATOM 656 O GLN A 42 1.152 -4.316 4.903 1.00 0.00 O ATOM 657 CB GLN A 42 3.501 -4.830 7.129 1.00 0.00 C ATOM 658 CG GLN A 42 4.125 -3.443 7.149 1.00 0.00 C ATOM 659 CD GLN A 42 5.638 -3.480 7.073 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.297 -4.131 7.884 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.196 -2.780 6.092 1.00 0.00 N ATOM 0 H GLN A 42 1.299 -6.296 5.766 1.00 0.00 H new ATOM 0 HA GLN A 42 1.591 -4.495 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.816 -5.373 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.885 -5.379 6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.738 -2.863 6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.824 -2.927 8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.610 -2.255 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.211 -2.767 5.988 1.00 0.00 H new ATOM 670 N LEU A 43 1.555 -2.577 6.221 1.00 0.00 N ATOM 671 CA LEU A 43 1.148 -1.691 5.171 1.00 0.00 C ATOM 672 C LEU A 43 2.274 -1.675 4.151 1.00 0.00 C ATOM 673 O LEU A 43 3.391 -1.237 4.425 1.00 0.00 O ATOM 674 CB LEU A 43 0.877 -0.289 5.724 1.00 0.00 C ATOM 675 CG LEU A 43 -0.266 0.483 5.062 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.551 -0.326 5.083 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.470 1.818 5.756 1.00 0.00 C ATOM 0 H LEU A 43 1.846 -2.137 7.094 1.00 0.00 H new ATOM 0 HA LEU A 43 0.220 -2.028 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.662 -0.375 6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.789 0.300 5.630 1.00 0.00 H new ATOM 0 HG LEU A 43 0.003 0.665 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.348 0.245 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.401 -1.261 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.827 -0.543 6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.286 2.357 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.715 1.649 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.444 2.407 5.687 1.00 0.00 H new ATOM 689 N VAL A 44 1.944 -2.222 2.992 1.00 0.00 N ATOM 690 CA VAL A 44 2.857 -2.385 1.867 1.00 0.00 C ATOM 691 C VAL A 44 4.039 -1.429 1.872 1.00 0.00 C ATOM 692 O VAL A 44 5.180 -1.844 2.082 1.00 0.00 O ATOM 693 CB VAL A 44 2.097 -2.246 0.542 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.834 -3.617 -0.047 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.792 -1.492 0.757 1.00 0.00 C ATOM 0 H VAL A 44 1.007 -2.576 2.800 1.00 0.00 H new ATOM 0 HA VAL A 44 3.272 -3.387 1.974 1.00 0.00 H new ATOM 0 HB VAL A 44 2.706 -1.677 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.294 -3.511 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.782 -4.123 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.236 -4.204 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.264 -1.401 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.170 -2.036 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.007 -0.498 1.149 1.00 0.00 H new ATOM 705 N SER A 45 3.768 -0.168 1.603 1.00 0.00 N ATOM 706 CA SER A 45 4.820 0.843 1.537 1.00 0.00 C ATOM 707 C SER A 45 5.741 0.532 0.364 1.00 0.00 C ATOM 708 O SER A 45 6.938 0.296 0.535 1.00 0.00 O ATOM 709 CB SER A 45 5.623 0.881 2.836 1.00 0.00 C ATOM 710 OG SER A 45 6.079 2.192 3.114 1.00 0.00 O ATOM 0 H SER A 45 2.829 0.188 1.425 1.00 0.00 H new ATOM 0 HA SER A 45 4.360 1.821 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.005 0.525 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.474 0.205 2.761 1.00 0.00 H new ATOM 0 HG SER A 45 5.664 2.514 3.941 1.00 0.00 H new ATOM 716 N ILE A 46 5.153 0.516 -0.823 1.00 0.00 N ATOM 717 CA ILE A 46 5.876 0.212 -2.054 1.00 0.00 C ATOM 718 C ILE A 46 7.143 1.049 -2.185 1.00 0.00 C ATOM 719 O ILE A 46 7.128 2.262 -1.973 1.00 0.00 O ATOM 720 CB ILE A 46 4.994 0.425 -3.306 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.671 1.110 -2.940 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.729 -0.901 -4.002 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.627 0.168 -2.372 1.00 0.00 C ATOM 0 H ILE A 46 4.162 0.713 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 46 6.152 -0.841 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 46 5.535 1.078 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.870 1.897 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.265 1.593 -3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.107 -0.733 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.675 -1.347 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.215 -1.575 -3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.721 0.727 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.397 -0.605 -3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.011 -0.296 -1.464 1.00 0.00 H new ATOM 735 N HIS A 47 8.241 0.385 -2.538 1.00 0.00 N ATOM 736 CA HIS A 47 9.527 1.050 -2.701 1.00 0.00 C ATOM 737 C HIS A 47 10.088 0.808 -4.101 1.00 0.00 C ATOM 738 O HIS A 47 11.146 1.327 -4.455 1.00 0.00 O ATOM 739 CB HIS A 47 10.518 0.549 -1.647 1.00 0.00 C ATOM 740 CG HIS A 47 11.785 1.344 -1.579 1.00 0.00 C ATOM 741 ND1 HIS A 47 13.025 0.770 -1.394 1.00 0.00 N ATOM 742 CD2 HIS A 47 12.002 2.679 -1.677 1.00 0.00 C ATOM 743 CE1 HIS A 47 13.949 1.716 -1.379 1.00 0.00 C ATOM 744 NE2 HIS A 47 13.354 2.881 -1.549 1.00 0.00 N ATOM 0 H HIS A 47 8.263 -0.619 -2.717 1.00 0.00 H new ATOM 0 HA HIS A 47 9.377 2.122 -2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.035 0.569 -0.670 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.764 -0.491 -1.860 1.00 0.00 H new ATOM 0 HD1 HIS A 47 13.202 -0.229 -1.286 1.00 0.00 H new ATOM 0 HD2 HIS A 47 11.252 3.441 -1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 47 15.010 1.561 -1.250 1.00 0.00 H new ATOM 753 N SER A 48 9.367 0.021 -4.898 1.00 0.00 N ATOM 754 CA SER A 48 9.791 -0.281 -6.253 1.00 0.00 C ATOM 755 C SER A 48 8.730 0.166 -7.247 1.00 0.00 C ATOM 756 O SER A 48 7.586 -0.280 -7.178 1.00 0.00 O ATOM 757 CB SER A 48 10.058 -1.778 -6.409 1.00 0.00 C ATOM 758 OG SER A 48 11.128 -2.016 -7.308 1.00 0.00 O ATOM 0 H SER A 48 8.487 -0.416 -4.624 1.00 0.00 H new ATOM 0 HA SER A 48 10.715 0.260 -6.455 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.293 -2.212 -5.437 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.158 -2.275 -6.771 1.00 0.00 H new ATOM 0 HG SER A 48 11.279 -2.981 -7.388 1.00 0.00 H new ATOM 764 N PRO A 49 9.091 1.056 -8.186 1.00 0.00 N ATOM 765 CA PRO A 49 8.155 1.554 -9.193 1.00 0.00 C ATOM 766 C PRO A 49 7.348 0.423 -9.816 1.00 0.00 C ATOM 767 O PRO A 49 6.204 0.614 -10.230 1.00 0.00 O ATOM 768 CB PRO A 49 9.072 2.210 -10.224 1.00 0.00 C ATOM 769 CG PRO A 49 10.246 2.669 -9.428 1.00 0.00 C ATOM 770 CD PRO A 49 10.437 1.644 -8.344 1.00 0.00 C ATOM 0 HA PRO A 49 7.413 2.237 -8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.368 1.504 -11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.578 3.044 -10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.135 2.746 -10.053 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.068 3.657 -9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.173 0.892 -8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.788 2.099 -7.418 1.00 0.00 H new ATOM 778 N GLU A 50 7.947 -0.764 -9.859 1.00 0.00 N ATOM 779 CA GLU A 50 7.284 -1.936 -10.407 1.00 0.00 C ATOM 780 C GLU A 50 6.212 -2.440 -9.456 1.00 0.00 C ATOM 781 O GLU A 50 5.099 -2.757 -9.871 1.00 0.00 O ATOM 782 CB GLU A 50 8.294 -3.050 -10.672 1.00 0.00 C ATOM 783 CG GLU A 50 7.652 -4.353 -11.106 1.00 0.00 C ATOM 784 CD GLU A 50 8.581 -5.542 -10.951 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.095 -5.752 -9.833 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.795 -6.263 -11.949 1.00 0.00 O ATOM 0 H GLU A 50 8.893 -0.936 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 50 6.817 -1.646 -11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.991 -2.722 -11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.877 -3.224 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.750 -4.523 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.343 -4.272 -12.148 1.00 0.00 H new ATOM 793 N GLU A 51 6.562 -2.522 -8.178 1.00 0.00 N ATOM 794 CA GLU A 51 5.634 -2.996 -7.165 1.00 0.00 C ATOM 795 C GLU A 51 4.443 -2.054 -7.045 1.00 0.00 C ATOM 796 O GLU A 51 3.296 -2.495 -6.975 1.00 0.00 O ATOM 797 CB GLU A 51 6.342 -3.132 -5.817 1.00 0.00 C ATOM 798 CG GLU A 51 7.416 -4.208 -5.799 1.00 0.00 C ATOM 799 CD GLU A 51 8.071 -4.355 -4.440 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.582 -3.344 -3.915 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.074 -5.482 -3.902 1.00 0.00 O ATOM 0 H GLU A 51 7.482 -2.266 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 51 5.267 -3.977 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.794 -2.175 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.602 -3.356 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.975 -5.161 -6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.177 -3.969 -6.541 1.00 0.00 H new ATOM 808 N GLN A 52 4.722 -0.755 -7.035 1.00 0.00 N ATOM 809 CA GLN A 52 3.667 0.248 -6.935 1.00 0.00 C ATOM 810 C GLN A 52 2.759 0.169 -8.155 1.00 0.00 C ATOM 811 O GLN A 52 1.538 0.250 -8.042 1.00 0.00 O ATOM 812 CB GLN A 52 4.270 1.653 -6.785 1.00 0.00 C ATOM 813 CG GLN A 52 4.703 2.298 -8.098 1.00 0.00 C ATOM 814 CD GLN A 52 3.553 2.873 -8.916 1.00 0.00 C ATOM 815 OE1 GLN A 52 2.377 3.008 -8.309 1.00 0.00 O flip ATOM 816 NE2 GLN A 52 3.724 3.193 -10.092 1.00 0.00 N flip ATOM 0 H GLN A 52 5.666 -0.373 -7.095 1.00 0.00 H new ATOM 0 HA GLN A 52 3.069 0.046 -6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.538 2.299 -6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.132 1.596 -6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.415 3.094 -7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.228 1.556 -8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.640 3.075 -10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.950 3.576 -10.634 1.00 0.00 H new ATOM 825 N ASP A 53 3.369 -0.014 -9.317 1.00 0.00 N ATOM 826 CA ASP A 53 2.633 -0.134 -10.563 1.00 0.00 C ATOM 827 C ASP A 53 1.834 -1.428 -10.563 1.00 0.00 C ATOM 828 O ASP A 53 0.738 -1.502 -11.113 1.00 0.00 O ATOM 829 CB ASP A 53 3.590 -0.107 -11.756 1.00 0.00 C ATOM 830 CG ASP A 53 2.874 0.150 -13.067 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.684 1.333 -13.418 1.00 0.00 O ATOM 832 OD2 ASP A 53 2.503 -0.833 -13.743 1.00 0.00 O ATOM 0 H ASP A 53 4.381 -0.083 -9.421 1.00 0.00 H new ATOM 0 HA ASP A 53 1.950 0.711 -10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.341 0.667 -11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.119 -1.058 -11.815 1.00 0.00 H new ATOM 837 N PHE A 54 2.418 -2.451 -9.950 1.00 0.00 N ATOM 838 CA PHE A 54 1.808 -3.764 -9.873 1.00 0.00 C ATOM 839 C PHE A 54 0.466 -3.722 -9.154 1.00 0.00 C ATOM 840 O PHE A 54 -0.539 -4.218 -9.665 1.00 0.00 O ATOM 841 CB PHE A 54 2.755 -4.696 -9.122 1.00 0.00 C ATOM 842 CG PHE A 54 3.256 -5.845 -9.943 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.504 -6.998 -10.073 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.486 -5.772 -10.574 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.967 -8.060 -10.823 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.957 -6.829 -11.324 1.00 0.00 C ATOM 847 CZ PHE A 54 4.197 -7.977 -11.450 1.00 0.00 C ATOM 0 H PHE A 54 3.328 -2.389 -9.494 1.00 0.00 H new ATOM 0 HA PHE A 54 1.630 -4.123 -10.887 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.608 -4.119 -8.764 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.243 -5.087 -8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.544 -7.068 -9.583 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.083 -4.877 -10.478 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.370 -8.955 -10.920 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.918 -6.760 -11.812 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.563 -8.807 -12.037 1.00 0.00 H new ATOM 857 N LEU A 55 0.452 -3.121 -7.973 1.00 0.00 N ATOM 858 CA LEU A 55 -0.773 -3.009 -7.192 1.00 0.00 C ATOM 859 C LEU A 55 -1.701 -1.967 -7.791 1.00 0.00 C ATOM 860 O LEU A 55 -2.916 -2.144 -7.804 1.00 0.00 O ATOM 861 CB LEU A 55 -0.467 -2.660 -5.744 1.00 0.00 C ATOM 862 CG LEU A 55 0.738 -1.758 -5.547 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.289 -0.315 -5.451 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.511 -2.176 -4.310 1.00 0.00 C ATOM 0 H LEU A 55 1.273 -2.704 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.271 -3.978 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.341 -2.175 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.306 -3.584 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 55 1.404 -1.853 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.158 0.328 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.226 -0.032 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.389 -0.200 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.372 -1.521 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.865 -2.103 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.852 -3.205 -4.424 1.00 0.00 H new ATOM 876 N THR A 56 -1.119 -0.877 -8.283 1.00 0.00 N ATOM 877 CA THR A 56 -1.899 0.188 -8.884 1.00 0.00 C ATOM 878 C THR A 56 -2.665 -0.360 -10.081 1.00 0.00 C ATOM 879 O THR A 56 -3.826 -0.016 -10.304 1.00 0.00 O ATOM 880 CB THR A 56 -0.989 1.353 -9.295 1.00 0.00 C ATOM 881 OG1 THR A 56 -1.360 2.540 -8.619 1.00 0.00 O ATOM 882 CG2 THR A 56 -1.003 1.652 -10.779 1.00 0.00 C ATOM 0 H THR A 56 -0.112 -0.713 -8.275 1.00 0.00 H new ATOM 0 HA THR A 56 -2.614 0.569 -8.155 1.00 0.00 H new ATOM 0 HB THR A 56 0.016 1.031 -9.022 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.768 3.271 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.335 2.488 -10.988 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.669 0.773 -11.330 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.016 1.911 -11.088 1.00 0.00 H new ATOM 890 N LYS A 57 -2.009 -1.242 -10.828 1.00 0.00 N ATOM 891 CA LYS A 57 -2.625 -1.873 -11.981 1.00 0.00 C ATOM 892 C LYS A 57 -3.615 -2.922 -11.506 1.00 0.00 C ATOM 893 O LYS A 57 -4.672 -3.121 -12.105 1.00 0.00 O ATOM 894 CB LYS A 57 -1.563 -2.521 -12.869 1.00 0.00 C ATOM 895 CG LYS A 57 -0.854 -1.541 -13.788 1.00 0.00 C ATOM 896 CD LYS A 57 -1.698 -1.211 -15.009 1.00 0.00 C ATOM 897 CE LYS A 57 -2.383 0.138 -14.862 1.00 0.00 C ATOM 898 NZ LYS A 57 -3.676 0.187 -15.599 1.00 0.00 N ATOM 0 H LYS A 57 -1.048 -1.534 -10.652 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.145 -1.116 -12.567 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.824 -3.012 -12.236 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.032 -3.298 -13.473 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.630 -0.625 -13.241 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.099 -1.964 -14.107 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.068 -1.206 -15.898 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.449 -1.988 -15.155 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.559 0.343 -13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.724 0.922 -15.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.112 1.123 -15.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.506 0.017 -16.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.315 -0.545 -15.228 1.00 0.00 H new ATOM 912 N HIS A 58 -3.261 -3.582 -10.407 1.00 0.00 N ATOM 913 CA HIS A 58 -4.110 -4.605 -9.819 1.00 0.00 C ATOM 914 C HIS A 58 -5.375 -3.979 -9.247 1.00 0.00 C ATOM 915 O HIS A 58 -6.433 -4.608 -9.214 1.00 0.00 O ATOM 916 CB HIS A 58 -3.359 -5.351 -8.716 1.00 0.00 C ATOM 917 CG HIS A 58 -3.986 -6.662 -8.357 1.00 0.00 C ATOM 918 ND1 HIS A 58 -4.977 -6.786 -7.407 1.00 0.00 N ATOM 919 CD2 HIS A 58 -3.762 -7.910 -8.831 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.335 -8.054 -7.311 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.613 -8.756 -8.165 1.00 0.00 N ATOM 0 H HIS A 58 -2.387 -3.423 -9.906 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.386 -5.313 -10.601 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.332 -5.523 -9.037 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.314 -4.722 -7.827 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.372 -6.019 -6.863 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.047 -8.188 -9.591 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.090 -8.449 -6.647 1.00 0.00 H new ATOM 983 N GLY A 63 -6.670 2.463 -7.080 1.00 0.00 N ATOM 984 CA GLY A 63 -6.408 3.126 -5.816 1.00 0.00 C ATOM 985 C GLY A 63 -6.090 2.149 -4.702 1.00 0.00 C ATOM 986 O GLY A 63 -6.975 1.452 -4.212 1.00 0.00 O ATOM 0 HA2 GLY A 63 -5.574 3.817 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.277 3.722 -5.535 1.00 0.00 H new ATOM 990 N SER A 64 -4.823 2.104 -4.298 1.00 0.00 N ATOM 991 CA SER A 64 -4.388 1.207 -3.230 1.00 0.00 C ATOM 992 C SER A 64 -3.772 2.000 -2.082 1.00 0.00 C ATOM 993 O SER A 64 -3.405 3.162 -2.251 1.00 0.00 O ATOM 994 CB SER A 64 -3.379 0.189 -3.766 1.00 0.00 C ATOM 995 OG SER A 64 -2.135 0.297 -3.096 1.00 0.00 O ATOM 0 H SER A 64 -4.079 2.678 -4.694 1.00 0.00 H new ATOM 0 HA SER A 64 -5.261 0.673 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.775 -0.819 -3.642 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.234 0.345 -4.835 1.00 0.00 H new ATOM 0 HG SER A 64 -1.649 1.078 -3.433 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.654 1.374 -0.914 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.072 2.054 0.240 1.00 0.00 C ATOM 1003 C TRP A 65 -1.687 1.512 0.534 1.00 0.00 C ATOM 1004 O TRP A 65 -1.476 0.301 0.561 1.00 0.00 O ATOM 1005 CB TRP A 65 -3.969 1.921 1.473 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.083 2.921 1.495 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -4.964 4.276 1.616 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.483 2.648 1.385 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.206 4.863 1.587 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.155 3.882 1.445 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.233 1.478 1.241 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.542 3.977 1.365 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.609 1.575 1.162 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.250 2.816 1.222 1.00 0.00 C ATOM 0 H TRP A 65 -3.948 0.413 -0.742 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.989 3.113 -0.004 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.389 0.916 1.503 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.363 2.040 2.371 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.030 4.808 1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.392 5.863 1.659 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.746 0.515 1.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.041 4.934 1.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.199 0.677 1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.327 2.859 1.154 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.744 2.420 0.736 1.00 0.00 N ATOM 1026 CA ILE A 66 0.630 2.038 1.010 1.00 0.00 C ATOM 1027 C ILE A 66 1.032 2.373 2.436 1.00 0.00 C ATOM 1028 O ILE A 66 0.343 3.115 3.134 1.00 0.00 O ATOM 1029 CB ILE A 66 1.601 2.714 0.024 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.958 4.128 0.494 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.981 2.749 -1.364 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.480 5.022 -0.608 1.00 0.00 C ATOM 0 H ILE A 66 -0.907 3.427 0.715 1.00 0.00 H new ATOM 0 HA ILE A 66 0.690 0.957 0.881 1.00 0.00 H new ATOM 0 HB ILE A 66 2.523 2.134 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.074 4.589 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.709 4.061 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.671 3.228 -2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.778 1.731 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.049 3.313 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.711 6.006 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.383 4.585 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.723 5.121 -1.386 1.00 0.00 H new ATOM 1044 N GLY A 67 2.152 1.805 2.857 1.00 0.00 N ATOM 1045 CA GLY A 67 2.651 2.029 4.198 1.00 0.00 C ATOM 1046 C GLY A 67 3.333 3.369 4.355 1.00 0.00 C ATOM 1047 O GLY A 67 4.478 3.440 4.799 1.00 0.00 O ATOM 0 H GLY A 67 2.729 1.187 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.823 1.963 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.354 1.237 4.456 1.00 0.00 H new ATOM 1051 N LEU A 68 2.631 4.433 3.993 1.00 0.00 N ATOM 1052 CA LEU A 68 3.183 5.773 4.100 1.00 0.00 C ATOM 1053 C LEU A 68 2.269 6.705 4.895 1.00 0.00 C ATOM 1054 O LEU A 68 1.088 6.854 4.583 1.00 0.00 O ATOM 1055 CB LEU A 68 3.431 6.357 2.708 1.00 0.00 C ATOM 1056 CG LEU A 68 4.751 7.100 2.547 1.00 0.00 C ATOM 1057 CD1 LEU A 68 4.815 7.786 1.194 1.00 0.00 C ATOM 1058 CD2 LEU A 68 4.922 8.104 3.672 1.00 0.00 C ATOM 0 H LEU A 68 1.681 4.394 3.624 1.00 0.00 H new ATOM 0 HA LEU A 68 4.128 5.693 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.396 5.547 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.616 7.039 2.466 1.00 0.00 H new ATOM 0 HG LEU A 68 5.569 6.381 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.765 8.312 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.731 7.040 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.995 8.499 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.868 8.631 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.102 8.821 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.919 7.582 4.629 1.00 0.00 H new ATOM 1070 N ARG A 69 2.843 7.345 5.908 1.00 0.00 N ATOM 1071 CA ARG A 69 2.115 8.291 6.747 1.00 0.00 C ATOM 1072 C ARG A 69 2.985 9.515 7.032 1.00 0.00 C ATOM 1073 O ARG A 69 4.079 9.389 7.580 1.00 0.00 O ATOM 1074 CB ARG A 69 1.687 7.621 8.056 1.00 0.00 C ATOM 1075 CG ARG A 69 1.484 8.591 9.210 1.00 0.00 C ATOM 1076 CD ARG A 69 2.534 8.399 10.291 1.00 0.00 C ATOM 1077 NE ARG A 69 2.330 9.304 11.419 1.00 0.00 N ATOM 1078 CZ ARG A 69 2.169 8.895 12.675 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.189 7.600 12.962 1.00 0.00 N ATOM 1080 NH2 ARG A 69 1.987 9.781 13.644 1.00 0.00 N ATOM 0 H ARG A 69 3.821 7.224 6.170 1.00 0.00 H new ATOM 0 HA ARG A 69 1.219 8.615 6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.759 7.075 7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.441 6.887 8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.527 9.615 8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.491 8.448 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.507 7.368 10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.525 8.565 9.868 1.00 0.00 H new ATOM 0 HE ARG A 69 2.310 10.307 11.233 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.328 6.915 12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.065 7.289 13.926 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.970 10.778 13.427 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.864 9.466 14.606 1.00 0.00 H new ATOM 1094 N ASN A 70 2.502 10.697 6.662 1.00 0.00 N ATOM 1095 CA ASN A 70 3.258 11.924 6.889 1.00 0.00 C ATOM 1096 C ASN A 70 3.018 12.462 8.296 1.00 0.00 C ATOM 1097 O ASN A 70 1.972 12.218 8.897 1.00 0.00 O ATOM 1098 CB ASN A 70 2.891 12.980 5.845 1.00 0.00 C ATOM 1099 CG ASN A 70 3.845 14.157 5.853 1.00 0.00 C ATOM 1100 OD1 ASN A 70 4.790 14.212 5.067 1.00 0.00 O ATOM 1101 ND2 ASN A 70 3.601 15.111 6.745 1.00 0.00 N ATOM 0 H ASN A 70 1.599 10.831 6.208 1.00 0.00 H new ATOM 0 HA ASN A 70 4.318 11.690 6.791 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.890 12.523 4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.878 13.336 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.209 15.929 6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.806 15.026 7.378 1.00 0.00 H new ATOM 1202 N PHE A 77 7.157 12.751 5.191 1.00 0.00 N ATOM 1203 CA PHE A 77 6.484 11.476 5.001 1.00 0.00 C ATOM 1204 C PHE A 77 7.313 10.314 5.545 1.00 0.00 C ATOM 1205 O PHE A 77 8.445 10.077 5.124 1.00 0.00 O ATOM 1206 CB PHE A 77 6.138 11.259 3.519 1.00 0.00 C ATOM 1207 CG PHE A 77 7.281 11.391 2.538 1.00 0.00 C ATOM 1208 CD1 PHE A 77 8.538 11.843 2.921 1.00 0.00 C ATOM 1209 CD2 PHE A 77 7.078 11.057 1.207 1.00 0.00 C ATOM 1210 CE1 PHE A 77 9.562 11.958 2.000 1.00 0.00 C ATOM 1211 CE2 PHE A 77 8.099 11.174 0.285 1.00 0.00 C ATOM 1212 CZ PHE A 77 9.341 11.625 0.681 1.00 0.00 C ATOM 0 HA PHE A 77 5.554 11.506 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.707 10.264 3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.364 11.974 3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.717 12.108 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.109 10.701 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.534 12.308 2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.925 10.912 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 77 10.139 11.717 -0.041 1.00 0.00 H new ATOM 1222 N ILE A 78 6.726 9.598 6.498 1.00 0.00 N ATOM 1223 CA ILE A 78 7.373 8.461 7.133 1.00 0.00 C ATOM 1224 C ILE A 78 6.535 7.201 6.952 1.00 0.00 C ATOM 1225 O ILE A 78 5.312 7.249 7.020 1.00 0.00 O ATOM 1226 CB ILE A 78 7.598 8.725 8.637 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.986 9.342 8.853 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.414 7.449 9.453 1.00 0.00 C ATOM 1229 CD1 ILE A 78 10.010 8.401 9.458 1.00 0.00 C ATOM 0 H ILE A 78 5.788 9.791 6.850 1.00 0.00 H new ATOM 0 HA ILE A 78 8.342 8.317 6.655 1.00 0.00 H new ATOM 0 HB ILE A 78 6.849 9.435 8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.363 9.700 7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.885 10.213 9.501 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.579 7.665 10.509 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.401 7.071 9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.131 6.698 9.120 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.960 8.923 9.574 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.661 8.062 10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.146 7.541 8.802 1.00 0.00 H new ATOM 1241 N TRP A 79 7.198 6.076 6.723 1.00 0.00 N ATOM 1242 CA TRP A 79 6.494 4.814 6.529 1.00 0.00 C ATOM 1243 C TRP A 79 5.961 4.276 7.851 1.00 0.00 C ATOM 1244 O TRP A 79 6.527 4.533 8.913 1.00 0.00 O ATOM 1245 CB TRP A 79 7.422 3.779 5.889 1.00 0.00 C ATOM 1246 CG TRP A 79 7.863 4.137 4.501 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.340 5.108 3.696 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.918 3.520 3.753 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.006 5.134 2.494 1.00 0.00 N ATOM 1250 CE2 TRP A 79 8.980 4.169 2.506 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.818 2.484 4.019 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.905 3.815 1.527 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.736 2.134 3.048 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.774 2.797 1.815 1.00 0.00 C ATOM 0 H TRP A 79 8.214 6.010 6.667 1.00 0.00 H new ATOM 0 HA TRP A 79 5.651 5.001 5.864 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.303 3.655 6.519 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.912 2.816 5.861 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.522 5.760 3.965 1.00 0.00 H new ATOM 0 HE1 TRP A 79 7.808 5.768 1.720 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.796 1.967 4.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.936 4.325 0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 11.436 1.335 3.243 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.504 2.499 1.076 1.00 0.00 H new ATOM 1265 N VAL A 80 4.864 3.529 7.772 1.00 0.00 N ATOM 1266 CA VAL A 80 4.241 2.942 8.954 1.00 0.00 C ATOM 1267 C VAL A 80 5.219 2.023 9.679 1.00 0.00 C ATOM 1268 O VAL A 80 5.107 1.801 10.885 1.00 0.00 O ATOM 1269 CB VAL A 80 2.974 2.145 8.570 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.208 1.377 7.283 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.549 1.207 9.692 1.00 0.00 C ATOM 0 H VAL A 80 4.386 3.315 6.897 1.00 0.00 H new ATOM 0 HA VAL A 80 3.958 3.758 9.619 1.00 0.00 H new ATOM 0 HB VAL A 80 2.162 2.854 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.308 0.820 7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.447 2.075 6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.038 0.683 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.655 0.661 9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.353 0.501 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.335 1.787 10.590 1.00 0.00 H new ATOM 1281 N ASP A 81 6.186 1.497 8.933 1.00 0.00 N ATOM 1282 CA ASP A 81 7.191 0.605 9.496 1.00 0.00 C ATOM 1283 C ASP A 81 8.237 1.398 10.269 1.00 0.00 C ATOM 1284 O ASP A 81 9.168 0.830 10.842 1.00 0.00 O ATOM 1285 CB ASP A 81 7.865 -0.201 8.385 1.00 0.00 C ATOM 1286 CG ASP A 81 8.550 -1.448 8.910 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.903 -2.212 9.656 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.734 -1.660 8.575 1.00 0.00 O ATOM 0 H ASP A 81 6.294 1.675 7.934 1.00 0.00 H new ATOM 0 HA ASP A 81 6.695 -0.081 10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.120 -0.485 7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.598 0.427 7.878 1.00 0.00 H new ATOM 1293 N GLY A 82 8.071 2.716 10.283 1.00 0.00 N ATOM 1294 CA GLY A 82 8.997 3.575 10.990 1.00 0.00 C ATOM 1295 C GLY A 82 10.250 3.872 10.191 1.00 0.00 C ATOM 1296 O GLY A 82 11.355 3.865 10.734 1.00 0.00 O ATOM 0 H GLY A 82 7.308 3.205 9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.499 4.512 11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.276 3.103 11.932 1.00 0.00 H new ATOM 1300 N SER A 83 10.083 4.136 8.898 1.00 0.00 N ATOM 1301 CA SER A 83 11.217 4.437 8.032 1.00 0.00 C ATOM 1302 C SER A 83 10.870 5.533 7.028 1.00 0.00 C ATOM 1303 O SER A 83 9.951 5.381 6.225 1.00 0.00 O ATOM 1304 CB SER A 83 11.667 3.176 7.292 1.00 0.00 C ATOM 1305 OG SER A 83 12.982 2.805 7.669 1.00 0.00 O ATOM 0 H SER A 83 9.177 4.147 8.429 1.00 0.00 H new ATOM 0 HA SER A 83 12.032 4.796 8.660 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.979 2.359 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.629 3.349 6.216 1.00 0.00 H new ATOM 0 HG SER A 83 13.245 1.995 7.184 1.00 0.00 H new ATOM 1311 N HIS A 84 11.616 6.634 7.077 1.00 0.00 N ATOM 1312 CA HIS A 84 11.395 7.754 6.174 1.00 0.00 C ATOM 1313 C HIS A 84 11.354 7.281 4.724 1.00 0.00 C ATOM 1314 O HIS A 84 12.032 6.322 4.355 1.00 0.00 O ATOM 1315 CB HIS A 84 12.496 8.796 6.355 1.00 0.00 C ATOM 1316 CG HIS A 84 13.876 8.254 6.139 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.543 7.496 7.079 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.715 8.362 5.081 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.732 7.163 6.610 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.861 7.675 5.399 1.00 0.00 N ATOM 0 H HIS A 84 12.382 6.772 7.737 1.00 0.00 H new ATOM 0 HA HIS A 84 10.433 8.206 6.414 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.325 9.618 5.660 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.431 9.210 7.361 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.519 8.890 4.159 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.473 6.572 7.128 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.679 7.576 4.798 1.00 0.00 H new ATOM 1329 N VAL A 85 10.549 7.955 3.911 1.00 0.00 N ATOM 1330 CA VAL A 85 10.413 7.599 2.504 1.00 0.00 C ATOM 1331 C VAL A 85 11.720 7.805 1.744 1.00 0.00 C ATOM 1332 O VAL A 85 12.536 8.652 2.108 1.00 0.00 O ATOM 1333 CB VAL A 85 9.295 8.415 1.838 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.082 7.971 0.402 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.012 8.285 2.634 1.00 0.00 C ATOM 0 H VAL A 85 9.981 8.751 4.202 1.00 0.00 H new ATOM 0 HA VAL A 85 10.155 6.541 2.465 1.00 0.00 H new ATOM 0 HB VAL A 85 9.594 9.463 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.285 8.564 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.003 8.113 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.804 6.917 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.225 8.867 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.714 7.237 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.172 8.657 3.646 1.00 0.00 H new ATOM 1345 N ASP A 86 11.912 7.017 0.688 1.00 0.00 N ATOM 1346 CA ASP A 86 13.121 7.103 -0.123 1.00 0.00 C ATOM 1347 C ASP A 86 12.811 7.596 -1.535 1.00 0.00 C ATOM 1348 O ASP A 86 13.033 8.763 -1.857 1.00 0.00 O ATOM 1349 CB ASP A 86 13.809 5.738 -0.189 1.00 0.00 C ATOM 1350 CG ASP A 86 14.262 5.254 1.174 1.00 0.00 C ATOM 1351 OD1 ASP A 86 13.403 4.807 1.963 1.00 0.00 O ATOM 1352 OD2 ASP A 86 15.479 5.322 1.454 1.00 0.00 O ATOM 0 H ASP A 86 11.245 6.312 0.375 1.00 0.00 H new ATOM 0 HA ASP A 86 13.789 7.824 0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.124 5.009 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.670 5.800 -0.855 1.00 0.00 H new ATOM 1357 N TYR A 87 12.311 6.696 -2.378 1.00 0.00 N ATOM 1358 CA TYR A 87 11.986 7.037 -3.759 1.00 0.00 C ATOM 1359 C TYR A 87 10.740 7.910 -3.845 1.00 0.00 C ATOM 1360 O TYR A 87 10.775 9.001 -4.414 1.00 0.00 O ATOM 1361 CB TYR A 87 11.785 5.766 -4.590 1.00 0.00 C ATOM 1362 CG TYR A 87 13.037 5.304 -5.302 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.469 5.928 -6.465 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.787 4.244 -4.808 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.612 5.509 -7.117 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.932 3.818 -5.456 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.340 4.454 -6.608 1.00 0.00 C ATOM 1368 OH TYR A 87 16.480 4.035 -7.255 1.00 0.00 O ATOM 0 H TYR A 87 12.122 5.725 -2.128 1.00 0.00 H new ATOM 0 HA TYR A 87 12.826 7.604 -4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.432 4.967 -3.937 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.002 5.944 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.902 6.755 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.471 3.745 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.934 6.005 -8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.503 2.991 -5.061 1.00 0.00 H new ATOM 0 HH TYR A 87 16.875 3.283 -6.767 1.00 0.00 H new ATOM 1378 N SER A 88 9.640 7.413 -3.286 1.00 0.00 N ATOM 1379 CA SER A 88 8.363 8.127 -3.302 1.00 0.00 C ATOM 1380 C SER A 88 7.885 8.352 -4.732 1.00 0.00 C ATOM 1381 O SER A 88 8.678 8.622 -5.634 1.00 0.00 O ATOM 1382 CB SER A 88 8.465 9.463 -2.560 1.00 0.00 C ATOM 1383 OG SER A 88 9.775 9.688 -2.069 1.00 0.00 O ATOM 0 H SER A 88 9.606 6.511 -2.812 1.00 0.00 H new ATOM 0 HA SER A 88 7.632 7.506 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.183 10.275 -3.230 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.758 9.474 -1.731 1.00 0.00 H new ATOM 0 HG SER A 88 9.729 10.219 -1.246 1.00 0.00 H new ATOM 1389 N ASN A 89 6.581 8.221 -4.939 1.00 0.00 N ATOM 1390 CA ASN A 89 6.002 8.394 -6.263 1.00 0.00 C ATOM 1391 C ASN A 89 5.632 9.853 -6.527 1.00 0.00 C ATOM 1392 O ASN A 89 5.853 10.356 -7.628 1.00 0.00 O ATOM 1393 CB ASN A 89 4.787 7.477 -6.420 1.00 0.00 C ATOM 1394 CG ASN A 89 4.905 6.560 -7.620 1.00 0.00 C ATOM 1395 OD1 ASN A 89 4.368 5.353 -7.490 1.00 0.00 O flip ATOM 1396 ND2 ASN A 89 5.470 6.929 -8.648 1.00 0.00 N flip ATOM 0 H ASN A 89 5.906 7.996 -4.208 1.00 0.00 H new ATOM 0 HA ASN A 89 6.750 8.117 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.670 6.877 -5.518 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.887 8.084 -6.518 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.868 7.866 -8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.540 6.298 -9.446 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.263 11.242 4.421 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.381 9.892 3.882 1.00 0.00 C ATOM 1600 C CYS A 104 -1.143 9.908 2.378 1.00 0.00 C ATOM 1601 O CYS A 104 -1.516 10.859 1.686 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.763 9.306 4.188 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.812 10.385 5.218 1.00 0.00 S ATOM 0 HA CYS A 104 -0.627 9.264 4.356 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.278 9.105 3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.637 8.349 4.693 1.00 0.00 H new ATOM 0 HG CYS A 104 -3.151 11.459 5.535 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.513 8.859 1.874 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.226 8.766 0.454 1.00 0.00 C ATOM 1610 C VAL A 105 -1.099 7.713 -0.215 1.00 0.00 C ATOM 1611 O VAL A 105 -1.167 6.566 0.231 1.00 0.00 O ATOM 1612 CB VAL A 105 1.258 8.455 0.203 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.494 8.110 -1.256 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.113 9.640 0.616 1.00 0.00 C ATOM 0 H VAL A 105 -0.192 8.063 2.426 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.454 9.737 0.015 1.00 0.00 H new ATOM 0 HB VAL A 105 1.541 7.591 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.551 7.893 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.901 7.236 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.200 8.953 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.163 9.412 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.827 10.516 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.964 9.844 1.676 1.00 0.00 H new ATOM 1624 N MET A 106 -1.773 8.120 -1.281 1.00 0.00 N ATOM 1625 CA MET A 106 -2.661 7.236 -2.021 1.00 0.00 C ATOM 1626 C MET A 106 -2.280 7.197 -3.494 1.00 0.00 C ATOM 1627 O MET A 106 -1.479 8.002 -3.956 1.00 0.00 O ATOM 1628 CB MET A 106 -4.111 7.694 -1.870 1.00 0.00 C ATOM 1629 CG MET A 106 -4.404 9.023 -2.547 1.00 0.00 C ATOM 1630 SD MET A 106 -4.821 10.325 -1.372 1.00 0.00 S ATOM 1631 CE MET A 106 -4.368 11.783 -2.308 1.00 0.00 C ATOM 0 H MET A 106 -1.720 9.067 -1.656 1.00 0.00 H new ATOM 0 HA MET A 106 -2.560 6.231 -1.610 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.769 6.931 -2.286 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.349 7.776 -0.809 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.535 9.329 -3.129 1.00 0.00 H new ATOM 0 HG3 MET A 106 -5.228 8.895 -3.249 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.060 12.593 -2.078 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.355 12.085 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.413 11.560 -3.374 1.00 0.00 H new ATOM 1641 N MET A 107 -2.861 6.260 -4.229 1.00 0.00 N ATOM 1642 CA MET A 107 -2.580 6.130 -5.654 1.00 0.00 C ATOM 1643 C MET A 107 -3.864 6.255 -6.463 1.00 0.00 C ATOM 1644 O MET A 107 -4.857 5.592 -6.170 1.00 0.00 O ATOM 1645 CB MET A 107 -1.924 4.783 -5.963 1.00 0.00 C ATOM 1646 CG MET A 107 -2.041 3.760 -4.849 1.00 0.00 C ATOM 1647 SD MET A 107 -0.453 3.015 -4.430 1.00 0.00 S ATOM 1648 CE MET A 107 0.279 2.841 -6.057 1.00 0.00 C ATOM 0 H MET A 107 -3.528 5.580 -3.865 1.00 0.00 H new ATOM 0 HA MET A 107 -1.894 6.931 -5.930 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.374 4.372 -6.866 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.868 4.948 -6.180 1.00 0.00 H new ATOM 0 HG2 MET A 107 -2.460 4.238 -3.963 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.738 2.978 -5.149 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.313 2.510 -5.957 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.284 2.106 -6.632 1.00 0.00 H new ATOM 0 HE3 MET A 107 0.254 3.801 -6.572 1.00 0.00 H new ATOM 1707 N ARG A 112 0.479 6.400 -10.243 1.00 0.00 N ATOM 1708 CA ARG A 112 1.432 6.603 -9.162 1.00 0.00 C ATOM 1709 C ARG A 112 0.717 7.042 -7.885 1.00 0.00 C ATOM 1710 O ARG A 112 -0.463 6.751 -7.696 1.00 0.00 O ATOM 1711 CB ARG A 112 2.478 7.643 -9.564 1.00 0.00 C ATOM 1712 CG ARG A 112 1.880 8.924 -10.116 1.00 0.00 C ATOM 1713 CD ARG A 112 2.636 9.403 -11.342 1.00 0.00 C ATOM 1714 NE ARG A 112 2.449 8.512 -12.485 1.00 0.00 N ATOM 1715 CZ ARG A 112 2.780 8.831 -13.731 1.00 0.00 C ATOM 1716 NH1 ARG A 112 3.311 10.018 -13.999 1.00 0.00 N ATOM 1717 NH2 ARG A 112 2.580 7.964 -14.715 1.00 0.00 N ATOM 0 HA ARG A 112 1.934 5.655 -8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.092 7.883 -8.696 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.141 7.209 -10.313 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.834 8.758 -10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.901 9.698 -9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.300 10.406 -11.606 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.698 9.474 -11.108 1.00 0.00 H new ATOM 0 HE ARG A 112 2.041 7.593 -12.316 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.466 10.689 -13.247 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.564 10.259 -14.957 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.171 7.051 -14.515 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.835 8.210 -15.671 1.00 0.00 H new ATOM 1731 N TRP A 113 1.439 7.740 -7.014 1.00 0.00 N ATOM 1732 CA TRP A 113 0.879 8.215 -5.756 1.00 0.00 C ATOM 1733 C TRP A 113 0.689 9.711 -5.744 1.00 0.00 C ATOM 1734 O TRP A 113 1.333 10.447 -6.483 1.00 0.00 O ATOM 1735 CB TRP A 113 1.781 7.932 -4.560 1.00 0.00 C ATOM 1736 CG TRP A 113 2.400 6.584 -4.488 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.069 5.466 -5.186 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.483 6.228 -3.632 1.00 0.00 C ATOM 1739 NE1 TRP A 113 2.888 4.428 -4.815 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.765 4.872 -3.855 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.242 6.939 -2.695 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.778 4.204 -3.170 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.247 6.276 -2.017 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.506 4.919 -2.256 1.00 0.00 C ATOM 0 H TRP A 113 2.417 7.989 -7.159 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.068 7.680 -5.677 1.00 0.00 H new ATOM 0 HB2 TRP A 113 2.581 8.673 -4.556 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.198 8.086 -3.652 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.281 5.403 -5.922 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.851 3.481 -5.191 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.046 7.984 -2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 4.982 3.159 -3.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.842 6.811 -1.292 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.296 4.427 -1.708 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.133 10.140 -4.811 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.354 11.541 -4.567 1.00 0.00 C ATOM 1757 C ASN A 114 -0.282 11.745 -3.061 1.00 0.00 C ATOM 1758 O ASN A 114 -1.049 11.144 -2.309 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.716 11.983 -5.106 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.807 11.867 -6.615 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -1.982 10.776 -7.156 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -1.685 12.997 -7.304 1.00 0.00 N ATOM 0 H ASN A 114 -0.667 9.521 -4.200 1.00 0.00 H new ATOM 0 HA ASN A 114 0.398 12.142 -5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.498 11.376 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -1.902 13.016 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.735 12.981 -8.323 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.541 13.880 -6.814 1.00 0.00 H new ATOM 1769 N ASP A 115 0.653 12.571 -2.623 1.00 0.00 N ATOM 1770 CA ASP A 115 0.836 12.824 -1.204 1.00 0.00 C ATOM 1771 C ASP A 115 -0.065 13.963 -0.738 1.00 0.00 C ATOM 1772 O ASP A 115 0.205 15.133 -1.012 1.00 0.00 O ATOM 1773 CB ASP A 115 2.306 13.145 -0.922 1.00 0.00 C ATOM 1774 CG ASP A 115 2.696 12.868 0.518 1.00 0.00 C ATOM 1775 OD1 ASP A 115 1.812 12.946 1.397 1.00 0.00 O ATOM 1776 OD2 ASP A 115 3.883 12.573 0.765 1.00 0.00 O ATOM 0 H ASP A 115 1.297 13.078 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 115 0.557 11.929 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.937 12.554 -1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.496 14.194 -1.151 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.144 13.611 -0.041 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.089 14.600 0.450 1.00 0.00 C ATOM 1783 C ALA A 116 -2.880 14.064 1.635 1.00 0.00 C ATOM 1784 O ALA A 116 -2.949 12.856 1.852 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.030 15.022 -0.667 1.00 0.00 C ATOM 0 H ALA A 116 -1.381 12.647 0.194 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.526 15.470 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.734 15.763 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.453 15.454 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.578 14.152 -1.029 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.153 5.799 -1.577 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.717 4.727 -2.464 1.00 0.00 C ATOM 1881 C LEU A 122 -10.672 3.544 -2.382 1.00 0.00 C ATOM 1882 O LEU A 122 -11.794 3.676 -1.892 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.298 4.285 -2.107 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.218 5.333 -2.366 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -7.054 6.239 -1.159 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.897 4.665 -2.712 1.00 0.00 C ATOM 0 HA LEU A 122 -9.719 5.105 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.272 4.010 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.058 3.387 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.529 5.942 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.280 6.979 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.997 6.746 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.767 5.643 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.140 5.428 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.582 4.031 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.021 4.057 -3.608 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.229 2.389 -2.864 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.073 1.213 -2.831 1.00 0.00 C ATOM 1900 C GLY A 123 -10.293 -0.084 -2.922 1.00 0.00 C ATOM 1901 O GLY A 123 -10.805 -1.080 -3.433 1.00 0.00 O ATOM 0 H GLY A 123 -9.306 2.247 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.654 1.216 -1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.784 1.261 -3.656 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.060 -0.086 -2.422 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.242 -1.294 -2.460 1.00 0.00 C ATOM 1907 C ALA A 124 -7.388 -1.442 -1.211 1.00 0.00 C ATOM 1908 O ALA A 124 -6.686 -0.516 -0.807 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.369 -1.317 -3.701 1.00 0.00 C ATOM 0 H ALA A 124 -8.611 0.723 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.926 -2.142 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.769 -2.227 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.999 -1.293 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -6.711 -0.448 -3.699 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.450 -2.626 -0.615 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.682 -2.924 0.586 1.00 0.00 C ATOM 1917 C TRP A 125 -5.442 -3.733 0.233 1.00 0.00 C ATOM 1918 O TRP A 125 -5.522 -4.940 0.009 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.539 -3.703 1.589 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.685 -2.915 2.152 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.205 -1.751 1.662 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.456 -3.238 3.316 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -10.249 -1.332 2.449 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -10.423 -2.228 3.471 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -9.421 -4.286 4.241 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -11.346 -2.235 4.513 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -10.338 -4.291 5.275 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -11.290 -3.271 5.404 1.00 0.00 C ATOM 0 H TRP A 125 -8.027 -3.399 -0.946 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.375 -1.982 1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -7.930 -4.596 1.101 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -6.905 -4.040 2.409 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -8.847 -1.235 0.783 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.805 -0.490 2.298 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -8.691 -5.077 4.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -12.081 -1.450 4.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -10.321 -5.095 5.996 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -11.993 -3.304 6.223 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.295 -3.065 0.184 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.049 -3.730 -0.145 1.00 0.00 C ATOM 1941 C VAL A 126 -2.118 -3.750 1.069 1.00 0.00 C ATOM 1942 O VAL A 126 -1.900 -2.728 1.722 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.361 -3.051 -1.348 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.884 -3.338 -1.361 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.978 -3.516 -2.651 1.00 0.00 C ATOM 0 H VAL A 126 -4.207 -2.066 0.368 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.276 -4.759 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.508 -1.976 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.425 -2.847 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.432 -2.961 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.723 -4.414 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.478 -3.025 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.863 -4.596 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.038 -3.262 -2.663 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.601 -4.933 1.370 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.717 -5.148 2.514 1.00 0.00 C ATOM 1957 C CYS A 127 0.438 -6.057 2.124 1.00 0.00 C ATOM 1958 O CYS A 127 0.406 -6.680 1.071 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.487 -5.765 3.682 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.142 -5.052 3.944 1.00 0.00 S ATOM 0 H CYS A 127 -1.782 -5.777 0.826 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.322 -4.181 2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.588 -6.837 3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.902 -5.642 4.594 1.00 0.00 H new ATOM 1965 N ASP A 128 1.461 -6.128 2.964 1.00 0.00 N ATOM 1966 CA ASP A 128 2.602 -6.973 2.680 1.00 0.00 C ATOM 1967 C ASP A 128 2.868 -7.917 3.844 1.00 0.00 C ATOM 1968 O ASP A 128 2.709 -7.553 5.007 1.00 0.00 O ATOM 1969 CB ASP A 128 3.839 -6.123 2.408 1.00 0.00 C ATOM 1970 CG ASP A 128 4.361 -5.442 3.658 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.809 -4.387 4.033 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.321 -5.964 4.262 1.00 0.00 O ATOM 0 H ASP A 128 1.520 -5.612 3.842 1.00 0.00 H new ATOM 0 HA ASP A 128 2.378 -7.564 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.623 -6.752 1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.600 -5.368 1.659 1.00 0.00 H new ATOM 1977 N ARG A 129 3.275 -9.130 3.512 1.00 0.00 N ATOM 1978 CA ARG A 129 3.572 -10.147 4.509 1.00 0.00 C ATOM 1979 C ARG A 129 4.501 -11.197 3.922 1.00 0.00 C ATOM 1980 O ARG A 129 4.544 -11.380 2.708 1.00 0.00 O ATOM 1981 CB ARG A 129 2.281 -10.803 5.004 1.00 0.00 C ATOM 1982 CG ARG A 129 2.432 -11.509 6.342 1.00 0.00 C ATOM 1983 CD ARG A 129 2.048 -12.977 6.244 1.00 0.00 C ATOM 1984 NE ARG A 129 1.965 -13.609 7.557 1.00 0.00 N ATOM 1985 CZ ARG A 129 0.832 -14.058 8.089 1.00 0.00 C ATOM 1986 NH1 ARG A 129 -0.310 -13.943 7.423 1.00 0.00 N ATOM 1987 NH2 ARG A 129 0.839 -14.622 9.289 1.00 0.00 N ATOM 0 H ARG A 129 3.409 -9.438 2.549 1.00 0.00 H new ATOM 0 HA ARG A 129 4.066 -9.671 5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.506 -10.041 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.940 -11.522 4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.463 -11.424 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.806 -11.017 7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.087 -13.067 5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.782 -13.504 5.634 1.00 0.00 H new ATOM 0 HE ARG A 129 2.824 -13.712 8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -0.321 -13.509 6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -1.177 -14.289 7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.714 -14.712 9.805 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.031 -14.966 9.696 1.00 0.00 H new ATOM 2001 N LEU A 130 5.231 -11.893 4.778 1.00 0.00 N ATOM 2002 CA LEU A 130 6.142 -12.928 4.314 1.00 0.00 C ATOM 2003 C LEU A 130 5.364 -14.117 3.760 1.00 0.00 C ATOM 2004 O LEU A 130 4.406 -14.585 4.377 1.00 0.00 O ATOM 2005 CB LEU A 130 7.069 -13.368 5.449 1.00 0.00 C ATOM 2006 CG LEU A 130 8.324 -12.505 5.647 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.553 -13.227 5.118 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.172 -11.145 4.969 1.00 0.00 C ATOM 0 H LEU A 130 5.212 -11.763 5.789 1.00 0.00 H new ATOM 0 HA LEU A 130 6.753 -12.518 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.501 -13.371 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.381 -14.396 5.263 1.00 0.00 H new ATOM 0 HG LEU A 130 8.450 -12.335 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.434 -12.602 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.681 -14.167 5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.426 -13.430 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.076 -10.557 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.013 -11.287 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.318 -10.619 5.396 1.00 0.00 H new ATOM 2020 N ALA A 131 5.774 -14.589 2.585 1.00 0.00 N ATOM 2021 CA ALA A 131 5.110 -15.713 1.930 1.00 0.00 C ATOM 2022 C ALA A 131 5.106 -16.957 2.812 1.00 0.00 C ATOM 2023 O ALA A 131 5.997 -17.801 2.716 1.00 0.00 O ATOM 2024 CB ALA A 131 5.778 -16.013 0.598 1.00 0.00 C ATOM 0 H ALA A 131 6.565 -14.209 2.066 1.00 0.00 H new ATOM 0 HA ALA A 131 4.072 -15.429 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.274 -16.853 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.714 -15.136 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.825 -16.265 0.765 1.00 0.00 H new