USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 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 28:sc= 1.15 USER MOD Set 1.2: A 83 THR OG1 : rot 134:sc= 0.25! USER MOD Set 1.3: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= -0.4 (180deg=-0.911!) USER MOD Single : A 14 MET CE :methyl -161:sc= -0.922 (180deg=-2.31!) USER MOD Single : A 16 HIS : no HE2:sc= 0.00325 X(o=0.0032,f=-0.19) USER MOD Single : A 17 TYR OH : rot 125:sc= 1.41 USER MOD Single : A 18 THR OG1 : rot -54:sc= 0.271 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.155 K(o=0.15,f=-1.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -5.52! C(o=-5.5!,f=-3.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -31:sc= 0.854 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 18:sc= 0.099 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.24) 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 75 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.57) USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl 139:sc= -0.0901 (180deg=-0.482) USER MOD Single : A 91 ASN : amide:sc= -0.399 K(o=-0.4,f=-2.3!) USER MOD Single : A 112 GLN : amide:sc= -2.36! K(o=-2.4!,f=-0.1) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.959 K(o=-0.96,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.308 3.125 8.768 1.00 0.00 N ATOM 100 CA LYS A 10 -3.439 1.728 8.372 1.00 0.00 C ATOM 101 C LYS A 10 -2.096 1.162 7.919 1.00 0.00 C ATOM 102 O LYS A 10 -1.345 1.822 7.201 1.00 0.00 O ATOM 103 CB LYS A 10 -4.467 1.590 7.246 1.00 0.00 C ATOM 104 CG LYS A 10 -5.155 0.236 7.214 1.00 0.00 C ATOM 105 CD LYS A 10 -6.038 0.089 5.986 1.00 0.00 C ATOM 106 CE LYS A 10 -5.257 -0.458 4.801 1.00 0.00 C ATOM 107 NZ LYS A 10 -4.333 0.560 4.228 1.00 0.00 N ATOM 0 HA LYS A 10 -3.779 1.161 9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.221 2.369 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.971 1.759 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.405 -0.555 7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.758 0.111 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.871 -0.577 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.466 1.057 5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.685 -1.331 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.952 -0.792 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.960 0.218 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.848 1.451 4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.545 0.723 4.886 1.00 0.00 H new ATOM 121 N GLU A 11 -1.802 -0.063 8.344 1.00 0.00 N ATOM 122 CA GLU A 11 -0.549 -0.716 7.981 1.00 0.00 C ATOM 123 C GLU A 11 -0.654 -2.228 8.154 1.00 0.00 C ATOM 124 O GLU A 11 -1.641 -2.736 8.684 1.00 0.00 O ATOM 125 CB GLU A 11 0.600 -0.172 8.832 1.00 0.00 C ATOM 126 CG GLU A 11 0.449 -0.463 10.316 1.00 0.00 C ATOM 127 CD GLU A 11 1.152 0.561 11.186 1.00 0.00 C ATOM 128 OE1 GLU A 11 0.865 1.767 11.031 1.00 0.00 O ATOM 129 OE2 GLU A 11 1.988 0.158 12.020 1.00 0.00 O ATOM 0 H GLU A 11 -2.413 -0.622 8.939 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.347 -0.501 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.537 -0.602 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.670 0.906 8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.610 -0.486 10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.850 -1.453 10.531 1.00 0.00 H new ATOM 136 N GLY A 12 0.372 -2.943 7.702 1.00 0.00 N ATOM 137 CA GLY A 12 0.376 -4.389 7.816 1.00 0.00 C ATOM 138 C GLY A 12 1.290 -5.048 6.801 1.00 0.00 C ATOM 139 O GLY A 12 1.827 -4.382 5.916 1.00 0.00 O ATOM 0 H GLY A 12 1.200 -2.546 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.691 -4.670 8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.639 -4.764 7.684 1.00 0.00 H new ATOM 143 N TRP A 13 1.468 -6.357 6.931 1.00 0.00 N ATOM 144 CA TRP A 13 2.325 -7.106 6.018 1.00 0.00 C ATOM 145 C TRP A 13 1.615 -7.365 4.694 1.00 0.00 C ATOM 146 O TRP A 13 0.595 -8.052 4.651 1.00 0.00 O ATOM 147 CB TRP A 13 2.747 -8.432 6.654 1.00 0.00 C ATOM 148 CG TRP A 13 3.693 -8.265 7.804 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.372 -8.223 9.130 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.115 -8.115 7.729 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.508 -8.057 9.885 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.591 -7.988 9.048 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.033 -8.078 6.675 1.00 0.00 C ATOM 154 CZ2 TRP A 13 6.943 -7.826 9.339 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.374 -7.916 6.966 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.819 -7.793 8.289 1.00 0.00 C ATOM 0 H TRP A 13 1.031 -6.922 7.659 1.00 0.00 H new ATOM 0 HA TRP A 13 3.214 -6.507 5.820 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.858 -8.961 6.998 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.216 -9.058 5.895 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.371 -8.308 9.528 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.540 -7.995 10.903 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.700 -8.174 5.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.288 -7.730 10.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.092 -7.884 6.160 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.874 -7.670 8.483 1.00 0.00 H new ATOM 167 N MET A 14 2.162 -6.813 3.616 1.00 0.00 N ATOM 168 CA MET A 14 1.580 -6.987 2.290 1.00 0.00 C ATOM 169 C MET A 14 2.643 -7.410 1.282 1.00 0.00 C ATOM 170 O MET A 14 3.826 -7.114 1.450 1.00 0.00 O ATOM 171 CB MET A 14 0.910 -5.691 1.830 1.00 0.00 C ATOM 172 CG MET A 14 0.225 -5.809 0.478 1.00 0.00 C ATOM 173 SD MET A 14 -1.188 -4.700 0.318 1.00 0.00 S ATOM 174 CE MET A 14 -2.499 -5.724 0.983 1.00 0.00 C ATOM 0 H MET A 14 3.007 -6.242 3.634 1.00 0.00 H new ATOM 0 HA MET A 14 0.828 -7.774 2.350 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.175 -5.387 2.575 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.660 -4.901 1.781 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.945 -5.590 -0.310 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.106 -6.837 0.331 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.464 -5.338 0.655 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.377 -6.747 0.627 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.454 -5.711 2.072 1.00 0.00 H new ATOM 184 N VAL A 15 2.214 -8.105 0.233 1.00 0.00 N ATOM 185 CA VAL A 15 3.130 -8.568 -0.804 1.00 0.00 C ATOM 186 C VAL A 15 2.868 -7.856 -2.126 1.00 0.00 C ATOM 187 O VAL A 15 1.727 -7.529 -2.452 1.00 0.00 O ATOM 188 CB VAL A 15 3.010 -10.089 -1.019 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.133 -10.828 0.305 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.696 -10.427 -1.708 1.00 0.00 C ATOM 0 H VAL A 15 1.239 -8.360 0.079 1.00 0.00 H new ATOM 0 HA VAL A 15 4.139 -8.335 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 15 3.827 -10.413 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.046 -11.901 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.102 -10.610 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.340 -10.503 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.628 -11.505 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.864 -10.090 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.654 -9.928 -2.676 1.00 0.00 H new ATOM 200 N HIS A 16 3.933 -7.619 -2.885 1.00 0.00 N ATOM 201 CA HIS A 16 3.819 -6.946 -4.174 1.00 0.00 C ATOM 202 C HIS A 16 4.959 -7.354 -5.102 1.00 0.00 C ATOM 203 O HIS A 16 5.905 -8.021 -4.684 1.00 0.00 O ATOM 204 CB HIS A 16 3.819 -5.429 -3.983 1.00 0.00 C ATOM 205 CG HIS A 16 5.190 -4.829 -3.956 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.148 -5.181 -3.028 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.764 -3.896 -4.751 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.250 -4.489 -3.252 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.044 -3.702 -4.292 1.00 0.00 N ATOM 0 H HIS A 16 4.885 -7.883 -2.630 1.00 0.00 H new ATOM 0 HA HIS A 16 2.876 -7.247 -4.631 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.246 -4.970 -4.789 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.308 -5.188 -3.051 1.00 0.00 H new ATOM 0 HD1 HIS A 16 6.024 -5.869 -2.285 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.302 -3.397 -5.590 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.165 -4.555 -2.681 1.00 0.00 H new ATOM 218 N TYR A 17 4.862 -6.948 -6.363 1.00 0.00 N ATOM 219 CA TYR A 17 5.884 -7.273 -7.352 1.00 0.00 C ATOM 220 C TYR A 17 5.950 -6.205 -8.439 1.00 0.00 C ATOM 221 O TYR A 17 4.922 -5.725 -8.919 1.00 0.00 O ATOM 222 CB TYR A 17 5.599 -8.639 -7.979 1.00 0.00 C ATOM 223 CG TYR A 17 4.328 -8.676 -8.797 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.106 -8.972 -8.205 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.348 -8.417 -10.162 1.00 0.00 C ATOM 226 CE1 TYR A 17 1.942 -9.008 -8.948 1.00 0.00 C ATOM 227 CE2 TYR A 17 3.189 -8.450 -10.912 1.00 0.00 C ATOM 228 CZ TYR A 17 1.989 -8.746 -10.301 1.00 0.00 C ATOM 229 OH TYR A 17 0.832 -8.780 -11.045 1.00 0.00 O ATOM 0 H TYR A 17 4.086 -6.393 -6.725 1.00 0.00 H new ATOM 0 HA TYR A 17 6.848 -7.307 -6.844 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.439 -8.920 -8.615 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.534 -9.386 -7.188 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.066 -9.177 -7.145 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.286 -8.186 -10.645 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.001 -9.240 -8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.222 -8.245 -11.972 1.00 0.00 H new ATOM 0 HH TYR A 17 0.722 -7.929 -11.518 1.00 0.00 H new ATOM 239 N THR A 18 7.168 -5.837 -8.825 1.00 0.00 N ATOM 240 CA THR A 18 7.370 -4.826 -9.854 1.00 0.00 C ATOM 241 C THR A 18 7.307 -5.440 -11.248 1.00 0.00 C ATOM 242 O THR A 18 7.262 -6.661 -11.397 1.00 0.00 O ATOM 243 CB THR A 18 8.724 -4.112 -9.682 1.00 0.00 C ATOM 244 OG1 THR A 18 9.768 -4.887 -10.282 1.00 0.00 O ATOM 245 CG2 THR A 18 9.034 -3.888 -8.209 1.00 0.00 C ATOM 0 H THR A 18 8.029 -6.225 -8.440 1.00 0.00 H new ATOM 0 HA THR A 18 6.566 -4.098 -9.743 1.00 0.00 H new ATOM 0 HB THR A 18 8.663 -3.142 -10.176 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.754 -5.795 -9.914 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.995 -3.382 -8.112 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.253 -3.272 -7.762 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.076 -4.849 -7.696 1.00 0.00 H new ATOM 253 N SER A 19 7.305 -4.586 -12.267 1.00 0.00 N ATOM 254 CA SER A 19 7.245 -5.046 -13.649 1.00 0.00 C ATOM 255 C SER A 19 8.535 -5.758 -14.042 1.00 0.00 C ATOM 256 O SER A 19 8.516 -6.727 -14.801 1.00 0.00 O ATOM 257 CB SER A 19 6.993 -3.866 -14.590 1.00 0.00 C ATOM 258 OG SER A 19 6.523 -4.311 -15.851 1.00 0.00 O ATOM 0 H SER A 19 7.344 -3.572 -12.161 1.00 0.00 H new ATOM 0 HA SER A 19 6.420 -5.754 -13.735 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.263 -3.190 -14.144 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.914 -3.298 -14.721 1.00 0.00 H new ATOM 0 HG SER A 19 6.368 -3.538 -16.434 1.00 0.00 H new ATOM 264 N ARG A 20 9.656 -5.270 -13.520 1.00 0.00 N ATOM 265 CA ARG A 20 10.956 -5.858 -13.816 1.00 0.00 C ATOM 266 C ARG A 20 11.248 -7.030 -12.883 1.00 0.00 C ATOM 267 O ARG A 20 11.332 -8.178 -13.320 1.00 0.00 O ATOM 268 CB ARG A 20 12.057 -4.804 -13.689 1.00 0.00 C ATOM 269 CG ARG A 20 13.448 -5.335 -13.998 1.00 0.00 C ATOM 270 CD ARG A 20 14.364 -4.233 -14.506 1.00 0.00 C ATOM 271 NE ARG A 20 14.309 -4.102 -15.959 1.00 0.00 N ATOM 272 CZ ARG A 20 15.231 -3.469 -16.676 1.00 0.00 C ATOM 273 NH1 ARG A 20 16.276 -2.914 -16.077 1.00 0.00 N ATOM 274 NH2 ARG A 20 15.111 -3.392 -17.995 1.00 0.00 N ATOM 0 H ARG A 20 9.689 -4.469 -12.890 1.00 0.00 H new ATOM 0 HA ARG A 20 10.934 -6.229 -14.841 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.835 -3.976 -14.363 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.048 -4.402 -12.676 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.876 -5.781 -13.100 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.379 -6.126 -14.745 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.082 -3.286 -14.046 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.389 -4.443 -14.200 1.00 0.00 H new ATOM 0 HE ARG A 20 13.519 -4.520 -16.451 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.373 -2.973 -15.063 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.982 -2.429 -16.630 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.310 -3.819 -18.460 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.820 -2.906 -18.544 1.00 0.00 H new ATOM 288 N ASP A 21 11.403 -6.731 -11.598 1.00 0.00 N ATOM 289 CA ASP A 21 11.686 -7.759 -10.603 1.00 0.00 C ATOM 290 C ASP A 21 10.396 -8.412 -10.114 1.00 0.00 C ATOM 291 O ASP A 21 9.818 -7.992 -9.113 1.00 0.00 O ATOM 292 CB ASP A 21 12.448 -7.159 -9.421 1.00 0.00 C ATOM 293 CG ASP A 21 13.439 -6.095 -9.851 1.00 0.00 C ATOM 294 OD1 ASP A 21 12.999 -4.977 -10.191 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.655 -6.381 -9.847 1.00 0.00 O ATOM 0 H ASP A 21 11.338 -5.786 -11.221 1.00 0.00 H new ATOM 0 HA ASP A 21 12.304 -8.524 -11.073 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.738 -6.726 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.977 -7.952 -8.893 1.00 0.00 H new ATOM 300 N ASN A 22 9.951 -9.439 -10.830 1.00 0.00 N ATOM 301 CA ASN A 22 8.728 -10.148 -10.470 1.00 0.00 C ATOM 302 C ASN A 22 8.826 -10.718 -9.058 1.00 0.00 C ATOM 303 O ASN A 22 7.826 -10.810 -8.343 1.00 0.00 O ATOM 304 CB ASN A 22 8.454 -11.275 -11.468 1.00 0.00 C ATOM 305 CG ASN A 22 9.687 -12.114 -11.746 1.00 0.00 C ATOM 306 OD1 ASN A 22 10.544 -11.733 -12.543 1.00 0.00 O ATOM 307 ND2 ASN A 22 9.780 -13.263 -11.087 1.00 0.00 N ATOM 0 H ASN A 22 10.418 -9.799 -11.662 1.00 0.00 H new ATOM 0 HA ASN A 22 7.903 -9.436 -10.500 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.662 -11.916 -11.080 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.090 -10.848 -12.403 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.587 -13.870 -11.232 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.045 -13.538 -10.436 1.00 0.00 H new ATOM 314 N LEU A 23 10.035 -11.099 -8.662 1.00 0.00 N ATOM 315 CA LEU A 23 10.264 -11.659 -7.334 1.00 0.00 C ATOM 316 C LEU A 23 9.413 -10.947 -6.288 1.00 0.00 C ATOM 317 O LEU A 23 9.750 -9.850 -5.841 1.00 0.00 O ATOM 318 CB LEU A 23 11.744 -11.552 -6.963 1.00 0.00 C ATOM 319 CG LEU A 23 12.085 -11.782 -5.490 1.00 0.00 C ATOM 320 CD1 LEU A 23 12.342 -13.257 -5.225 1.00 0.00 C ATOM 321 CD2 LEU A 23 13.291 -10.947 -5.085 1.00 0.00 C ATOM 0 H LEU A 23 10.872 -11.031 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 23 9.976 -12.710 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.301 -12.273 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.098 -10.561 -7.247 1.00 0.00 H new ATOM 0 HG LEU A 23 11.233 -11.469 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.583 -13.401 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.451 -13.832 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.177 -13.597 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.519 -11.123 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.150 -11.228 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.069 -9.891 -5.236 1.00 0.00 H new ATOM 333 N ARG A 24 8.310 -11.578 -5.900 1.00 0.00 N ATOM 334 CA ARG A 24 7.411 -11.005 -4.906 1.00 0.00 C ATOM 335 C ARG A 24 8.186 -10.542 -3.676 1.00 0.00 C ATOM 336 O ARG A 24 9.211 -11.123 -3.318 1.00 0.00 O ATOM 337 CB ARG A 24 6.349 -12.028 -4.497 1.00 0.00 C ATOM 338 CG ARG A 24 5.030 -11.402 -4.077 1.00 0.00 C ATOM 339 CD ARG A 24 3.970 -12.460 -3.813 1.00 0.00 C ATOM 340 NE ARG A 24 3.712 -13.282 -4.992 1.00 0.00 N ATOM 341 CZ ARG A 24 4.432 -14.351 -5.314 1.00 0.00 C ATOM 342 NH1 ARG A 24 5.449 -14.725 -4.548 1.00 0.00 N ATOM 343 NH2 ARG A 24 4.136 -15.049 -6.403 1.00 0.00 N ATOM 0 H ARG A 24 8.017 -12.487 -6.259 1.00 0.00 H new ATOM 0 HA ARG A 24 6.920 -10.140 -5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.170 -12.706 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.734 -12.630 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.180 -10.804 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.683 -10.724 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.292 -13.098 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.045 -11.976 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 24 2.937 -13.021 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.679 -14.191 -3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.000 -15.546 -4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.355 -14.765 -6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.690 -15.870 -6.649 1.00 0.00 H new ATOM 357 N LYS A 25 7.689 -9.491 -3.031 1.00 0.00 N ATOM 358 CA LYS A 25 8.333 -8.948 -1.841 1.00 0.00 C ATOM 359 C LYS A 25 7.298 -8.580 -0.783 1.00 0.00 C ATOM 360 O LYS A 25 6.364 -7.825 -1.052 1.00 0.00 O ATOM 361 CB LYS A 25 9.168 -7.718 -2.203 1.00 0.00 C ATOM 362 CG LYS A 25 9.997 -7.895 -3.464 1.00 0.00 C ATOM 363 CD LYS A 25 10.855 -6.673 -3.744 1.00 0.00 C ATOM 364 CE LYS A 25 12.068 -6.622 -2.829 1.00 0.00 C ATOM 365 NZ LYS A 25 13.182 -7.469 -3.337 1.00 0.00 N ATOM 0 H LYS A 25 6.842 -8.998 -3.313 1.00 0.00 H new ATOM 0 HA LYS A 25 8.989 -9.716 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.504 -6.863 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.832 -7.483 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.635 -8.773 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.337 -8.079 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.183 -6.688 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.259 -5.770 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.409 -5.591 -2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.784 -6.956 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.990 -7.407 -2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.865 -8.457 -3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.470 -7.135 -4.279 1.00 0.00 H new ATOM 379 N ARG A 26 7.472 -9.116 0.421 1.00 0.00 N ATOM 380 CA ARG A 26 6.553 -8.843 1.519 1.00 0.00 C ATOM 381 C ARG A 26 7.201 -7.929 2.555 1.00 0.00 C ATOM 382 O ARG A 26 8.241 -8.260 3.126 1.00 0.00 O ATOM 383 CB ARG A 26 6.112 -10.150 2.180 1.00 0.00 C ATOM 384 CG ARG A 26 5.433 -9.953 3.525 1.00 0.00 C ATOM 385 CD ARG A 26 4.883 -11.262 4.069 1.00 0.00 C ATOM 386 NE ARG A 26 5.868 -11.977 4.876 1.00 0.00 N ATOM 387 CZ ARG A 26 6.787 -12.789 4.365 1.00 0.00 C ATOM 388 NH1 ARG A 26 6.845 -12.989 3.056 1.00 0.00 N ATOM 389 NH2 ARG A 26 7.649 -13.403 5.165 1.00 0.00 N ATOM 0 H ARG A 26 8.241 -9.742 0.660 1.00 0.00 H new ATOM 0 HA ARG A 26 5.678 -8.338 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.429 -10.673 1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.983 -10.792 2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.145 -9.533 4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.623 -9.231 3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.998 -11.060 4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.566 -11.894 3.240 1.00 0.00 H new ATOM 0 HE ARG A 26 5.849 -11.846 5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.183 -12.519 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.552 -13.613 2.666 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.606 -13.252 6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.354 -14.026 4.772 1.00 0.00 H new ATOM 403 N HIS A 27 6.579 -6.778 2.793 1.00 0.00 N ATOM 404 CA HIS A 27 7.095 -5.817 3.761 1.00 0.00 C ATOM 405 C HIS A 27 5.955 -5.147 4.522 1.00 0.00 C ATOM 406 O HIS A 27 4.809 -5.151 4.072 1.00 0.00 O ATOM 407 CB HIS A 27 7.945 -4.759 3.057 1.00 0.00 C ATOM 408 CG HIS A 27 8.820 -5.315 1.976 1.00 0.00 C ATOM 409 ND1 HIS A 27 8.813 -4.838 0.682 1.00 0.00 N ATOM 410 CD2 HIS A 27 9.733 -6.314 2.002 1.00 0.00 C ATOM 411 CE1 HIS A 27 9.684 -5.520 -0.041 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.256 -6.422 0.737 1.00 0.00 N ATOM 0 H HIS A 27 5.718 -6.489 2.329 1.00 0.00 H new ATOM 0 HA HIS A 27 7.717 -6.356 4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.287 -4.003 2.628 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.569 -4.256 3.796 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.000 -6.915 2.859 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.893 -5.366 -1.089 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.970 -7.090 0.445 1.00 0.00 H new ATOM 421 N TYR A 28 6.277 -4.572 5.675 1.00 0.00 N ATOM 422 CA TYR A 28 5.279 -3.901 6.500 1.00 0.00 C ATOM 423 C TYR A 28 4.867 -2.569 5.880 1.00 0.00 C ATOM 424 O TYR A 28 5.436 -1.524 6.193 1.00 0.00 O ATOM 425 CB TYR A 28 5.823 -3.673 7.911 1.00 0.00 C ATOM 426 CG TYR A 28 4.750 -3.644 8.976 1.00 0.00 C ATOM 427 CD1 TYR A 28 4.083 -4.803 9.350 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.405 -2.456 9.609 1.00 0.00 C ATOM 429 CE1 TYR A 28 3.102 -4.781 10.322 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.426 -2.424 10.584 1.00 0.00 C ATOM 431 CZ TYR A 28 2.777 -3.589 10.936 1.00 0.00 C ATOM 432 OH TYR A 28 1.801 -3.563 11.906 1.00 0.00 O ATOM 0 H TYR A 28 7.221 -4.557 6.060 1.00 0.00 H new ATOM 0 HA TYR A 28 4.400 -4.543 6.556 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.537 -4.462 8.148 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.370 -2.731 7.933 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.336 -5.738 8.872 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.911 -1.542 9.334 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.592 -5.692 10.600 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.171 -1.493 11.067 1.00 0.00 H new ATOM 0 HH TYR A 28 1.694 -2.647 12.238 1.00 0.00 H new ATOM 442 N TRP A 29 3.873 -2.617 5.000 1.00 0.00 N ATOM 443 CA TRP A 29 3.383 -1.414 4.336 1.00 0.00 C ATOM 444 C TRP A 29 2.765 -0.450 5.342 1.00 0.00 C ATOM 445 O TRP A 29 1.941 -0.844 6.168 1.00 0.00 O ATOM 446 CB TRP A 29 2.355 -1.782 3.265 1.00 0.00 C ATOM 447 CG TRP A 29 2.972 -2.146 1.949 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.092 -2.900 1.749 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.504 -1.768 0.649 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.349 -3.015 0.404 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.389 -2.330 -0.292 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.423 -1.012 0.189 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.224 -2.157 -1.664 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.261 -0.841 -1.173 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.157 -1.412 -2.086 1.00 0.00 C ATOM 0 H TRP A 29 3.391 -3.474 4.730 1.00 0.00 H new ATOM 0 HA TRP A 29 4.231 -0.919 3.862 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.755 -2.619 3.621 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.676 -0.942 3.120 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.689 -3.342 2.533 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.128 -3.527 -0.009 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.726 -0.569 0.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.914 -2.595 -2.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.430 -0.257 -1.540 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.002 -1.261 -3.144 1.00 0.00 H new ATOM 466 N ARG A 30 3.167 0.814 5.268 1.00 0.00 N ATOM 467 CA ARG A 30 2.653 1.834 6.174 1.00 0.00 C ATOM 468 C ARG A 30 1.911 2.922 5.403 1.00 0.00 C ATOM 469 O ARG A 30 2.438 3.486 4.442 1.00 0.00 O ATOM 470 CB ARG A 30 3.796 2.454 6.980 1.00 0.00 C ATOM 471 CG ARG A 30 4.498 1.468 7.898 1.00 0.00 C ATOM 472 CD ARG A 30 3.674 1.181 9.143 1.00 0.00 C ATOM 473 NE ARG A 30 3.928 2.153 10.204 1.00 0.00 N ATOM 474 CZ ARG A 30 3.222 3.267 10.365 1.00 0.00 C ATOM 475 NH1 ARG A 30 2.224 3.548 9.539 1.00 0.00 N ATOM 476 NH2 ARG A 30 3.514 4.102 11.354 1.00 0.00 N ATOM 0 H ARG A 30 3.847 1.157 4.590 1.00 0.00 H new ATOM 0 HA ARG A 30 1.953 1.356 6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.526 2.879 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.404 3.277 7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.683 0.538 7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.470 1.868 8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.615 1.192 8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.903 0.179 9.507 1.00 0.00 H new ATOM 0 HE ARG A 30 4.689 1.966 10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.997 2.908 8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.684 4.404 9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.281 3.889 11.992 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.971 4.957 11.477 1.00 0.00 H new ATOM 490 N LEU A 31 0.687 3.212 5.828 1.00 0.00 N ATOM 491 CA LEU A 31 -0.128 4.232 5.178 1.00 0.00 C ATOM 492 C LEU A 31 -0.713 5.197 6.204 1.00 0.00 C ATOM 493 O LEU A 31 -1.030 4.807 7.328 1.00 0.00 O ATOM 494 CB LEU A 31 -1.254 3.579 4.375 1.00 0.00 C ATOM 495 CG LEU A 31 -2.318 4.525 3.818 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.724 5.424 2.744 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.496 3.736 3.265 1.00 0.00 C ATOM 0 H LEU A 31 0.236 2.755 6.621 1.00 0.00 H new ATOM 0 HA LEU A 31 0.513 4.796 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.810 3.033 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.747 2.844 5.011 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.678 5.155 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.496 6.090 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.914 6.015 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.335 4.811 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.244 4.425 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.152 3.081 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.938 3.136 4.061 1.00 0.00 H new ATOM 509 N ASP A 32 -0.857 6.458 5.808 1.00 0.00 N ATOM 510 CA ASP A 32 -1.408 7.478 6.692 1.00 0.00 C ATOM 511 C ASP A 32 -1.969 8.648 5.889 1.00 0.00 C ATOM 512 O ASP A 32 -1.948 8.635 4.658 1.00 0.00 O ATOM 513 CB ASP A 32 -0.335 7.977 7.662 1.00 0.00 C ATOM 514 CG ASP A 32 1.056 7.925 7.062 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.496 6.820 6.679 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.705 8.988 6.976 1.00 0.00 O ATOM 0 H ASP A 32 -0.600 6.797 4.881 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.221 7.029 7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.563 9.002 7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.359 7.373 8.569 1.00 0.00 H new ATOM 521 N SER A 33 -2.470 9.657 6.594 1.00 0.00 N ATOM 522 CA SER A 33 -3.041 10.832 5.947 1.00 0.00 C ATOM 523 C SER A 33 -1.942 11.743 5.408 1.00 0.00 C ATOM 524 O SER A 33 -2.211 12.847 4.933 1.00 0.00 O ATOM 525 CB SER A 33 -3.923 11.604 6.930 1.00 0.00 C ATOM 526 OG SER A 33 -4.544 12.710 6.298 1.00 0.00 O ATOM 0 H SER A 33 -2.492 9.684 7.613 1.00 0.00 H new ATOM 0 HA SER A 33 -3.652 10.494 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.685 10.940 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.320 11.952 7.769 1.00 0.00 H new ATOM 0 HG SER A 33 -3.957 13.056 5.593 1.00 0.00 H new ATOM 532 N LYS A 34 -0.702 11.274 5.487 1.00 0.00 N ATOM 533 CA LYS A 34 0.440 12.044 5.007 1.00 0.00 C ATOM 534 C LYS A 34 1.018 11.426 3.737 1.00 0.00 C ATOM 535 O LYS A 34 0.856 11.969 2.643 1.00 0.00 O ATOM 536 CB LYS A 34 1.521 12.119 6.088 1.00 0.00 C ATOM 537 CG LYS A 34 2.723 12.957 5.689 1.00 0.00 C ATOM 538 CD LYS A 34 3.958 12.577 6.488 1.00 0.00 C ATOM 539 CE LYS A 34 3.816 12.963 7.952 1.00 0.00 C ATOM 540 NZ LYS A 34 4.723 12.168 8.826 1.00 0.00 N ATOM 0 H LYS A 34 -0.461 10.364 5.879 1.00 0.00 H new ATOM 0 HA LYS A 34 0.096 13.052 4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.086 12.533 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.856 11.109 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.922 12.826 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.499 14.013 5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.128 11.503 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.833 13.070 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.035 14.024 8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.784 12.814 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.596 12.461 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.497 11.157 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.710 12.330 8.541 1.00 0.00 H new ATOM 554 N CYS A 35 1.690 10.291 3.890 1.00 0.00 N ATOM 555 CA CYS A 35 2.291 9.600 2.755 1.00 0.00 C ATOM 556 C CYS A 35 2.481 8.117 3.060 1.00 0.00 C ATOM 557 O CYS A 35 2.498 7.708 4.221 1.00 0.00 O ATOM 558 CB CYS A 35 3.635 10.235 2.398 1.00 0.00 C ATOM 559 SG CYS A 35 3.502 11.889 1.680 1.00 0.00 S ATOM 0 H CYS A 35 1.833 9.830 4.788 1.00 0.00 H new ATOM 0 HA CYS A 35 1.616 9.694 1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.249 10.289 3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.156 9.586 1.694 1.00 0.00 H new ATOM 0 HG CYS A 35 2.328 12.383 1.942 1.00 0.00 H new ATOM 565 N LEU A 36 2.621 7.316 2.009 1.00 0.00 N ATOM 566 CA LEU A 36 2.807 5.878 2.163 1.00 0.00 C ATOM 567 C LEU A 36 4.286 5.533 2.308 1.00 0.00 C ATOM 568 O LEU A 36 5.118 5.966 1.510 1.00 0.00 O ATOM 569 CB LEU A 36 2.214 5.135 0.965 1.00 0.00 C ATOM 570 CG LEU A 36 2.462 3.627 0.920 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.533 2.904 1.882 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.283 3.099 -0.496 1.00 0.00 C ATOM 0 H LEU A 36 2.609 7.638 1.041 1.00 0.00 H new ATOM 0 HA LEU A 36 2.289 5.565 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.138 5.306 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.617 5.577 0.054 1.00 0.00 H new ATOM 0 HG LEU A 36 3.490 3.438 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.724 1.832 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.710 3.261 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.497 3.100 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.463 2.024 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.266 3.300 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.991 3.594 -1.161 1.00 0.00 H new ATOM 584 N THR A 37 4.608 4.749 3.333 1.00 0.00 N ATOM 585 CA THR A 37 5.986 4.345 3.582 1.00 0.00 C ATOM 586 C THR A 37 6.099 2.831 3.719 1.00 0.00 C ATOM 587 O THR A 37 5.241 2.186 4.324 1.00 0.00 O ATOM 588 CB THR A 37 6.544 5.007 4.856 1.00 0.00 C ATOM 589 OG1 THR A 37 6.006 6.326 4.998 1.00 0.00 O ATOM 590 CG2 THR A 37 8.063 5.075 4.810 1.00 0.00 C ATOM 0 H THR A 37 3.933 4.382 4.004 1.00 0.00 H new ATOM 0 HA THR A 37 6.572 4.674 2.724 1.00 0.00 H new ATOM 0 HB THR A 37 6.250 4.401 5.713 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.364 6.740 5.811 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.434 5.546 5.720 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.470 4.067 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.375 5.661 3.945 1.00 0.00 H new ATOM 598 N LEU A 38 7.161 2.268 3.154 1.00 0.00 N ATOM 599 CA LEU A 38 7.387 0.828 3.213 1.00 0.00 C ATOM 600 C LEU A 38 8.542 0.496 4.152 1.00 0.00 C ATOM 601 O LEU A 38 9.621 1.083 4.058 1.00 0.00 O ATOM 602 CB LEU A 38 7.677 0.279 1.815 1.00 0.00 C ATOM 603 CG LEU A 38 6.457 -0.124 0.986 1.00 0.00 C ATOM 604 CD1 LEU A 38 5.739 1.109 0.459 1.00 0.00 C ATOM 605 CD2 LEU A 38 6.869 -1.035 -0.161 1.00 0.00 C ATOM 0 H LEU A 38 7.880 2.787 2.649 1.00 0.00 H new ATOM 0 HA LEU A 38 6.482 0.359 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.236 1.032 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.326 -0.591 1.915 1.00 0.00 H new ATOM 0 HG LEU A 38 5.769 -0.672 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.874 0.803 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.410 1.724 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.418 1.685 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.988 -1.312 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.577 -0.512 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.338 -1.934 0.239 1.00 0.00 H new ATOM 617 N PHE A 39 8.310 -0.450 5.056 1.00 0.00 N ATOM 618 CA PHE A 39 9.332 -0.861 6.011 1.00 0.00 C ATOM 619 C PHE A 39 9.588 -2.363 5.922 1.00 0.00 C ATOM 620 O PHE A 39 8.792 -3.168 6.404 1.00 0.00 O ATOM 621 CB PHE A 39 8.911 -0.488 7.434 1.00 0.00 C ATOM 622 CG PHE A 39 9.144 0.957 7.769 1.00 0.00 C ATOM 623 CD1 PHE A 39 8.177 1.910 7.495 1.00 0.00 C ATOM 624 CD2 PHE A 39 10.331 1.362 8.357 1.00 0.00 C ATOM 625 CE1 PHE A 39 8.388 3.241 7.803 1.00 0.00 C ATOM 626 CE2 PHE A 39 10.548 2.692 8.667 1.00 0.00 C ATOM 627 CZ PHE A 39 9.576 3.633 8.389 1.00 0.00 C ATOM 0 H PHE A 39 7.423 -0.946 5.147 1.00 0.00 H new ATOM 0 HA PHE A 39 10.255 -0.337 5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.853 -0.716 7.563 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.460 -1.110 8.141 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.247 1.610 7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 39 11.095 0.631 8.576 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.625 3.974 7.586 1.00 0.00 H new ATOM 0 HE2 PHE A 39 11.477 2.995 9.126 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.744 4.672 8.629 1.00 0.00 H new ATOM 637 N GLN A 40 10.704 -2.731 5.300 1.00 0.00 N ATOM 638 CA GLN A 40 11.063 -4.136 5.146 1.00 0.00 C ATOM 639 C GLN A 40 10.636 -4.945 6.367 1.00 0.00 C ATOM 640 O GLN A 40 10.212 -6.093 6.245 1.00 0.00 O ATOM 641 CB GLN A 40 12.571 -4.277 4.928 1.00 0.00 C ATOM 642 CG GLN A 40 13.052 -3.696 3.609 1.00 0.00 C ATOM 643 CD GLN A 40 14.526 -3.949 3.362 1.00 0.00 C ATOM 644 OE1 GLN A 40 15.316 -4.050 4.300 1.00 0.00 O ATOM 645 NE2 GLN A 40 14.904 -4.055 2.093 1.00 0.00 N ATOM 0 H GLN A 40 11.374 -2.077 4.895 1.00 0.00 H new ATOM 0 HA GLN A 40 10.538 -4.526 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.096 -3.783 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.838 -5.333 4.969 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.472 -4.127 2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.865 -2.622 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.215 -3.965 1.346 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.883 -4.227 1.865 1.00 0.00 H new ATOM 654 N ASN A 41 10.752 -4.337 7.543 1.00 0.00 N ATOM 655 CA ASN A 41 10.379 -5.001 8.787 1.00 0.00 C ATOM 656 C ASN A 41 9.428 -4.131 9.604 1.00 0.00 C ATOM 657 O ASN A 41 9.138 -2.994 9.233 1.00 0.00 O ATOM 658 CB ASN A 41 11.627 -5.326 9.610 1.00 0.00 C ATOM 659 CG ASN A 41 12.613 -6.191 8.849 1.00 0.00 C ATOM 660 OD1 ASN A 41 12.224 -7.124 8.148 1.00 0.00 O ATOM 661 ND2 ASN A 41 13.897 -5.883 8.985 1.00 0.00 N ATOM 0 H ASN A 41 11.101 -3.386 7.661 1.00 0.00 H new ATOM 0 HA ASN A 41 9.867 -5.930 8.535 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.115 -4.398 9.906 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.332 -5.837 10.526 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.607 -6.429 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.174 -5.100 9.577 1.00 0.00 H new ATOM 755 N TYR A 48 12.548 2.146 3.915 1.00 0.00 N ATOM 756 CA TYR A 48 13.030 1.558 2.670 1.00 0.00 C ATOM 757 C TYR A 48 12.757 2.484 1.489 1.00 0.00 C ATOM 758 O TYR A 48 13.676 2.896 0.781 1.00 0.00 O ATOM 759 CB TYR A 48 12.368 0.200 2.433 1.00 0.00 C ATOM 760 CG TYR A 48 12.221 -0.154 0.970 1.00 0.00 C ATOM 761 CD1 TYR A 48 13.266 0.050 0.077 1.00 0.00 C ATOM 762 CD2 TYR A 48 11.038 -0.693 0.481 1.00 0.00 C ATOM 763 CE1 TYR A 48 13.136 -0.271 -1.260 1.00 0.00 C ATOM 764 CE2 TYR A 48 10.900 -1.019 -0.854 1.00 0.00 C ATOM 765 CZ TYR A 48 11.951 -0.806 -1.721 1.00 0.00 C ATOM 766 OH TYR A 48 11.817 -1.128 -3.052 1.00 0.00 O ATOM 0 HA TYR A 48 14.108 1.418 2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.956 -0.573 2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.383 0.199 2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 48 14.196 0.467 0.435 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.212 -0.860 1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.958 -0.104 -1.941 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.974 -1.439 -1.217 1.00 0.00 H new ATOM 0 HH TYR A 48 10.922 -1.495 -3.211 1.00 0.00 H new ATOM 776 N LYS A 49 11.485 2.807 1.282 1.00 0.00 N ATOM 777 CA LYS A 49 11.086 3.686 0.188 1.00 0.00 C ATOM 778 C LYS A 49 9.929 4.587 0.608 1.00 0.00 C ATOM 779 O LYS A 49 9.247 4.315 1.595 1.00 0.00 O ATOM 780 CB LYS A 49 10.685 2.860 -1.036 1.00 0.00 C ATOM 781 CG LYS A 49 11.866 2.389 -1.866 1.00 0.00 C ATOM 782 CD LYS A 49 12.399 3.498 -2.757 1.00 0.00 C ATOM 783 CE LYS A 49 11.587 3.623 -4.038 1.00 0.00 C ATOM 784 NZ LYS A 49 11.903 4.878 -4.774 1.00 0.00 N ATOM 0 H LYS A 49 10.712 2.473 1.858 1.00 0.00 H new ATOM 0 HA LYS A 49 11.938 4.315 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.114 1.992 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.024 3.456 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.659 2.039 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.565 1.541 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.375 4.444 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.442 3.298 -3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.787 2.765 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.524 3.600 -3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.330 4.926 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.688 5.698 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.912 4.888 -5.026 1.00 0.00 H new ATOM 798 N GLU A 50 9.715 5.659 -0.149 1.00 0.00 N ATOM 799 CA GLU A 50 8.640 6.599 0.146 1.00 0.00 C ATOM 800 C GLU A 50 7.734 6.787 -1.067 1.00 0.00 C ATOM 801 O GLU A 50 8.208 7.023 -2.178 1.00 0.00 O ATOM 802 CB GLU A 50 9.217 7.948 0.580 1.00 0.00 C ATOM 803 CG GLU A 50 8.175 8.908 1.128 1.00 0.00 C ATOM 804 CD GLU A 50 8.767 10.244 1.532 1.00 0.00 C ATOM 805 OE1 GLU A 50 8.836 11.147 0.673 1.00 0.00 O ATOM 806 OE2 GLU A 50 9.161 10.386 2.709 1.00 0.00 O ATOM 0 H GLU A 50 10.271 5.898 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 50 8.045 6.187 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.979 7.780 1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.714 8.412 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.404 9.070 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.688 8.455 1.991 1.00 0.00 H new ATOM 813 N ILE A 51 6.428 6.679 -0.845 1.00 0.00 N ATOM 814 CA ILE A 51 5.456 6.838 -1.919 1.00 0.00 C ATOM 815 C ILE A 51 4.374 7.842 -1.537 1.00 0.00 C ATOM 816 O ILE A 51 3.361 7.499 -0.926 1.00 0.00 O ATOM 817 CB ILE A 51 4.791 5.496 -2.279 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.854 4.418 -2.501 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.920 5.651 -3.517 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.339 3.011 -2.295 1.00 0.00 C ATOM 0 H ILE A 51 6.019 6.482 0.069 1.00 0.00 H new ATOM 0 HA ILE A 51 6.002 7.208 -2.787 1.00 0.00 H new ATOM 0 HB ILE A 51 4.156 5.188 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.246 4.508 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.687 4.595 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.457 4.694 -3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.144 6.392 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.535 5.979 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.146 2.299 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.974 2.903 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.526 2.815 -2.994 1.00 0.00 H new ATOM 832 N PRO A 52 4.590 9.113 -1.906 1.00 0.00 N ATOM 833 CA PRO A 52 3.643 10.194 -1.615 1.00 0.00 C ATOM 834 C PRO A 52 2.358 10.074 -2.427 1.00 0.00 C ATOM 835 O PRO A 52 2.395 9.829 -3.634 1.00 0.00 O ATOM 836 CB PRO A 52 4.412 11.456 -2.014 1.00 0.00 C ATOM 837 CG PRO A 52 5.396 10.994 -3.033 1.00 0.00 C ATOM 838 CD PRO A 52 5.775 9.594 -2.637 1.00 0.00 C ATOM 0 HA PRO A 52 3.322 10.185 -0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.744 12.214 -2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.912 11.903 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.961 11.013 -4.032 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.271 11.644 -3.054 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.989 8.974 -3.508 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.666 9.581 -2.010 1.00 0.00 H new ATOM 846 N LEU A 53 1.223 10.247 -1.759 1.00 0.00 N ATOM 847 CA LEU A 53 -0.074 10.159 -2.420 1.00 0.00 C ATOM 848 C LEU A 53 -0.022 10.785 -3.810 1.00 0.00 C ATOM 849 O LEU A 53 -0.790 10.415 -4.698 1.00 0.00 O ATOM 850 CB LEU A 53 -1.146 10.851 -1.576 1.00 0.00 C ATOM 851 CG LEU A 53 -1.238 10.412 -0.114 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.351 11.162 0.600 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.460 8.909 -0.022 1.00 0.00 C ATOM 0 H LEU A 53 1.175 10.449 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.328 9.105 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.962 11.925 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.115 10.683 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.295 10.651 0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.401 10.836 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.149 12.233 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.302 10.956 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.523 8.614 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.388 8.647 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.628 8.389 -0.496 1.00 0.00 H new ATOM 865 N SER A 54 0.891 11.734 -3.992 1.00 0.00 N ATOM 866 CA SER A 54 1.043 12.413 -5.273 1.00 0.00 C ATOM 867 C SER A 54 1.593 11.460 -6.330 1.00 0.00 C ATOM 868 O SER A 54 1.021 11.319 -7.411 1.00 0.00 O ATOM 869 CB SER A 54 1.969 13.621 -5.128 1.00 0.00 C ATOM 870 OG SER A 54 1.942 14.428 -6.292 1.00 0.00 O ATOM 0 H SER A 54 1.537 12.050 -3.268 1.00 0.00 H new ATOM 0 HA SER A 54 0.059 12.756 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.667 14.213 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.988 13.282 -4.941 1.00 0.00 H new ATOM 0 HG SER A 54 2.541 15.194 -6.173 1.00 0.00 H new ATOM 876 N GLU A 55 2.707 10.809 -6.010 1.00 0.00 N ATOM 877 CA GLU A 55 3.335 9.871 -6.932 1.00 0.00 C ATOM 878 C GLU A 55 2.286 9.014 -7.635 1.00 0.00 C ATOM 879 O GLU A 55 2.168 9.041 -8.860 1.00 0.00 O ATOM 880 CB GLU A 55 4.325 8.974 -6.186 1.00 0.00 C ATOM 881 CG GLU A 55 5.474 8.483 -7.052 1.00 0.00 C ATOM 882 CD GLU A 55 6.657 9.431 -7.043 1.00 0.00 C ATOM 883 OE1 GLU A 55 6.439 10.653 -7.183 1.00 0.00 O ATOM 884 OE2 GLU A 55 7.801 8.952 -6.895 1.00 0.00 O ATOM 0 H GLU A 55 3.193 10.914 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 55 3.873 10.447 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.731 9.523 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.791 8.113 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.796 7.503 -6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.123 8.355 -8.076 1.00 0.00 H new ATOM 891 N ILE A 56 1.528 8.255 -6.851 1.00 0.00 N ATOM 892 CA ILE A 56 0.489 7.391 -7.398 1.00 0.00 C ATOM 893 C ILE A 56 -0.401 8.152 -8.374 1.00 0.00 C ATOM 894 O ILE A 56 -1.186 9.012 -7.974 1.00 0.00 O ATOM 895 CB ILE A 56 -0.387 6.790 -6.283 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.476 6.003 -5.294 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.465 5.898 -6.880 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.233 5.681 -3.997 1.00 0.00 C ATOM 0 H ILE A 56 1.614 8.221 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 56 0.995 6.583 -7.926 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.873 7.604 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.797 5.073 -5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.377 6.576 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.076 5.480 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.094 6.486 -7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.998 5.088 -7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.438 5.122 -3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.530 6.607 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.119 5.081 -4.206 1.00 0.00 H new ATOM 910 N LEU A 57 -0.274 7.829 -9.657 1.00 0.00 N ATOM 911 CA LEU A 57 -1.068 8.481 -10.692 1.00 0.00 C ATOM 912 C LEU A 57 -2.486 7.918 -10.726 1.00 0.00 C ATOM 913 O LEU A 57 -3.461 8.658 -10.601 1.00 0.00 O ATOM 914 CB LEU A 57 -0.404 8.305 -12.059 1.00 0.00 C ATOM 915 CG LEU A 57 0.993 8.909 -12.209 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.717 8.290 -13.394 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.907 10.420 -12.363 1.00 0.00 C ATOM 0 H LEU A 57 0.371 7.120 -10.005 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.124 9.544 -10.457 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.342 7.239 -12.276 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.052 8.747 -12.815 1.00 0.00 H new ATOM 0 HG LEU A 57 1.563 8.688 -11.306 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.709 8.732 -13.485 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.811 7.215 -13.242 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.150 8.479 -14.306 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.910 10.833 -12.468 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.320 10.663 -13.249 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.429 10.849 -11.482 1.00 0.00 H new ATOM 929 N ARG A 58 -2.591 6.604 -10.895 1.00 0.00 N ATOM 930 CA ARG A 58 -3.888 5.941 -10.944 1.00 0.00 C ATOM 931 C ARG A 58 -3.742 4.440 -10.712 1.00 0.00 C ATOM 932 O ARG A 58 -2.632 3.906 -10.723 1.00 0.00 O ATOM 933 CB ARG A 58 -4.564 6.196 -12.293 1.00 0.00 C ATOM 934 CG ARG A 58 -3.702 5.817 -13.486 1.00 0.00 C ATOM 935 CD ARG A 58 -4.495 5.867 -14.783 1.00 0.00 C ATOM 936 NE ARG A 58 -4.664 7.233 -15.269 1.00 0.00 N ATOM 937 CZ ARG A 58 -5.494 7.567 -16.251 1.00 0.00 C ATOM 938 NH1 ARG A 58 -6.227 6.637 -16.849 1.00 0.00 N ATOM 939 NH2 ARG A 58 -5.593 8.832 -16.638 1.00 0.00 N ATOM 0 H ARG A 58 -1.793 5.978 -11.000 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.509 6.355 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.496 5.633 -12.335 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.826 7.252 -12.365 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.851 6.495 -13.552 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.300 4.814 -13.342 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.986 5.273 -15.542 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.474 5.414 -14.627 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.114 7.972 -14.830 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.154 5.663 -16.555 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.864 6.896 -17.603 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.031 9.550 -16.181 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.231 9.086 -17.392 1.00 0.00 H new ATOM 953 N ILE A 59 -4.867 3.767 -10.500 1.00 0.00 N ATOM 954 CA ILE A 59 -4.864 2.328 -10.266 1.00 0.00 C ATOM 955 C ILE A 59 -5.462 1.577 -11.450 1.00 0.00 C ATOM 956 O ILE A 59 -6.566 1.886 -11.901 1.00 0.00 O ATOM 957 CB ILE A 59 -5.648 1.964 -8.991 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.098 2.735 -7.790 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.582 0.464 -8.740 1.00 0.00 C ATOM 960 CD1 ILE A 59 -3.638 2.456 -7.509 1.00 0.00 C ATOM 0 H ILE A 59 -5.793 4.195 -10.485 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.823 2.031 -10.140 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.692 2.244 -9.131 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.228 3.803 -7.964 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.684 2.482 -6.907 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.140 0.221 -7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.016 -0.066 -9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.542 0.161 -8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.316 3.037 -6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.504 1.394 -7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.041 2.736 -8.377 1.00 0.00 H new ATOM 972 N SER A 60 -4.728 0.587 -11.949 1.00 0.00 N ATOM 973 CA SER A 60 -5.185 -0.208 -13.082 1.00 0.00 C ATOM 974 C SER A 60 -5.945 -1.443 -12.608 1.00 0.00 C ATOM 975 O SER A 60 -5.805 -1.869 -11.461 1.00 0.00 O ATOM 976 CB SER A 60 -3.998 -0.627 -13.950 1.00 0.00 C ATOM 977 OG SER A 60 -4.433 -1.139 -15.198 1.00 0.00 O ATOM 0 H SER A 60 -3.814 0.317 -11.586 1.00 0.00 H new ATOM 0 HA SER A 60 -5.861 0.407 -13.676 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.343 0.229 -14.113 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.411 -1.383 -13.428 1.00 0.00 H new ATOM 0 HG SER A 60 -3.655 -1.398 -15.735 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.599 -10.797 -8.841 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.574 -9.549 -8.088 1.00 0.00 C ATOM 1187 C HIS A 75 -4.936 -8.863 -8.126 1.00 0.00 C ATOM 1188 O HIS A 75 -5.793 -9.208 -8.941 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.502 -8.613 -8.648 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.740 -8.214 -10.072 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -2.660 -9.101 -11.124 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -3.059 -7.016 -10.614 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -2.917 -8.465 -12.253 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -3.163 -7.199 -11.971 1.00 0.00 N ATOM 0 HA HIS A 75 -3.335 -9.784 -7.051 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.456 -7.716 -8.031 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.530 -9.101 -8.574 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.205 -6.089 -10.079 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.925 -8.906 -13.239 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.393 -6.474 -12.651 1.00 0.00 H new ATOM 1203 N CYS A 76 -5.129 -7.892 -7.241 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.388 -7.159 -7.172 1.00 0.00 C ATOM 1205 C CYS A 76 -6.266 -5.804 -7.862 1.00 0.00 C ATOM 1206 O CYS A 76 -7.143 -5.404 -8.628 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.812 -6.967 -5.715 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.313 -5.981 -5.507 1.00 0.00 S ATOM 0 H CYS A 76 -4.430 -7.594 -6.561 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.149 -7.743 -7.690 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.967 -7.946 -5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.998 -6.489 -5.171 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.592 -5.876 -4.242 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.174 -5.100 -7.583 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.938 -3.788 -8.174 1.00 0.00 C ATOM 1216 C PHE A 77 -3.446 -3.540 -8.371 1.00 0.00 C ATOM 1217 O PHE A 77 -2.610 -4.294 -7.873 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.537 -2.692 -7.290 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.839 -2.540 -5.968 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -5.094 -3.422 -4.931 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.929 -1.516 -5.763 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.454 -3.286 -3.713 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -3.285 -1.375 -4.549 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.549 -2.260 -3.522 1.00 0.00 C ATOM 0 H PHE A 77 -4.438 -5.416 -6.951 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.423 -3.764 -9.150 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.497 -1.743 -7.824 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.589 -2.914 -7.113 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.801 -4.225 -5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.720 -0.820 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.661 -3.981 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.576 -0.574 -4.403 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.049 -2.150 -2.571 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.119 -2.478 -9.101 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.728 -2.132 -9.365 1.00 0.00 C ATOM 1236 C GLU A 78 -1.478 -0.648 -9.110 1.00 0.00 C ATOM 1237 O GLU A 78 -2.178 0.211 -9.647 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.357 -2.482 -10.808 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.842 -3.854 -11.246 1.00 0.00 C ATOM 1240 CD GLU A 78 -3.249 -3.821 -11.812 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -4.210 -3.837 -11.015 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -3.388 -3.779 -13.052 1.00 0.00 O ATOM 0 H GLU A 78 -3.799 -1.843 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.102 -2.710 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.776 -1.728 -11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.273 -2.437 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.161 -4.253 -11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.812 -4.535 -10.395 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.477 -0.356 -8.286 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.135 1.023 -7.960 1.00 0.00 C ATOM 1251 C ILE A 79 0.795 1.622 -9.010 1.00 0.00 C ATOM 1252 O ILE A 79 2.006 1.404 -8.977 1.00 0.00 O ATOM 1253 CB ILE A 79 0.536 1.124 -6.578 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.338 0.460 -5.512 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.800 2.580 -6.223 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.161 0.677 -4.101 1.00 0.00 C ATOM 0 H ILE A 79 0.111 -1.055 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.069 1.585 -7.943 1.00 0.00 H new ATOM 0 HB ILE A 79 1.491 0.600 -6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.354 0.848 -5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.389 -0.611 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.275 2.635 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.458 3.023 -6.971 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.143 3.126 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.507 0.179 -3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.165 0.264 -4.003 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.185 1.745 -3.884 1.00 0.00 H new ATOM 1268 N ILE A 80 0.220 2.377 -9.939 1.00 0.00 N ATOM 1269 CA ILE A 80 0.998 3.010 -10.997 1.00 0.00 C ATOM 1270 C ILE A 80 1.561 4.351 -10.538 1.00 0.00 C ATOM 1271 O ILE A 80 0.813 5.284 -10.246 1.00 0.00 O ATOM 1272 CB ILE A 80 0.151 3.228 -12.265 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.212 1.884 -12.900 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.901 4.104 -13.258 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.509 1.303 -12.383 1.00 0.00 C ATOM 0 H ILE A 80 -0.782 2.566 -9.981 1.00 0.00 H new ATOM 0 HA ILE A 80 1.821 2.334 -11.231 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.771 3.737 -11.985 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.284 2.009 -13.980 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.594 1.174 -12.715 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.290 4.249 -14.149 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.113 5.071 -12.802 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.837 3.620 -13.535 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.703 0.351 -12.877 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.434 1.145 -11.307 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.326 1.994 -12.592 1.00 0.00 H new ATOM 1287 N THR A 81 2.886 4.442 -10.480 1.00 0.00 N ATOM 1288 CA THR A 81 3.550 5.668 -10.058 1.00 0.00 C ATOM 1289 C THR A 81 4.473 6.197 -11.149 1.00 0.00 C ATOM 1290 O THR A 81 4.853 5.465 -12.063 1.00 0.00 O ATOM 1291 CB THR A 81 4.368 5.450 -8.771 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.066 4.202 -8.840 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.465 5.465 -7.547 1.00 0.00 C ATOM 0 H THR A 81 3.520 3.680 -10.720 1.00 0.00 H new ATOM 0 HA THR A 81 2.766 6.400 -9.862 1.00 0.00 H new ATOM 0 HB THR A 81 5.088 6.264 -8.682 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.245 3.978 -9.777 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.065 5.309 -6.650 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.957 6.427 -7.481 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.725 4.669 -7.631 1.00 0.00 H new ATOM 1301 N ASP A 82 4.831 7.473 -11.048 1.00 0.00 N ATOM 1302 CA ASP A 82 5.712 8.100 -12.027 1.00 0.00 C ATOM 1303 C ASP A 82 7.016 7.319 -12.163 1.00 0.00 C ATOM 1304 O ASP A 82 7.583 7.221 -13.252 1.00 0.00 O ATOM 1305 CB ASP A 82 6.008 9.545 -11.626 1.00 0.00 C ATOM 1306 CG ASP A 82 4.803 10.451 -11.792 1.00 0.00 C ATOM 1307 OD1 ASP A 82 4.417 10.719 -12.950 1.00 0.00 O ATOM 1308 OD2 ASP A 82 4.246 10.890 -10.765 1.00 0.00 O ATOM 0 H ASP A 82 4.525 8.093 -10.298 1.00 0.00 H new ATOM 0 HA ASP A 82 5.205 8.096 -12.992 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.338 9.570 -10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.831 9.925 -12.231 1.00 0.00 H new ATOM 1313 N THR A 83 7.487 6.766 -11.050 1.00 0.00 N ATOM 1314 CA THR A 83 8.725 5.996 -11.044 1.00 0.00 C ATOM 1315 C THR A 83 8.561 4.685 -11.804 1.00 0.00 C ATOM 1316 O THR A 83 9.045 4.543 -12.926 1.00 0.00 O ATOM 1317 CB THR A 83 9.189 5.690 -9.607 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.216 4.876 -8.942 1.00 0.00 O ATOM 1319 CG2 THR A 83 9.406 6.975 -8.823 1.00 0.00 C ATOM 0 H THR A 83 7.030 6.837 -10.141 1.00 0.00 H new ATOM 0 HA THR A 83 9.480 6.607 -11.539 1.00 0.00 H new ATOM 0 HB THR A 83 10.136 5.153 -9.660 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.667 4.142 -8.476 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.733 6.733 -7.812 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.168 7.578 -9.317 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.472 7.536 -8.778 1.00 0.00 H new ATOM 1327 N MET A 84 7.875 3.730 -11.185 1.00 0.00 N ATOM 1328 CA MET A 84 7.646 2.430 -11.805 1.00 0.00 C ATOM 1329 C MET A 84 6.274 1.881 -11.426 1.00 0.00 C ATOM 1330 O MET A 84 5.601 2.418 -10.546 1.00 0.00 O ATOM 1331 CB MET A 84 8.736 1.442 -11.388 1.00 0.00 C ATOM 1332 CG MET A 84 9.958 1.468 -12.291 1.00 0.00 C ATOM 1333 SD MET A 84 11.281 0.393 -11.703 1.00 0.00 S ATOM 1334 CE MET A 84 10.482 -1.207 -11.793 1.00 0.00 C ATOM 0 H MET A 84 7.468 3.832 -10.255 1.00 0.00 H new ATOM 0 HA MET A 84 7.680 2.561 -12.887 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.045 1.664 -10.366 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.319 0.435 -11.383 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.668 1.164 -13.297 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.330 2.490 -12.362 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.186 -1.944 -12.179 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.153 -1.506 -10.798 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.620 -1.146 -12.457 1.00 0.00 H new ATOM 1344 N VAL A 85 5.864 0.809 -12.096 1.00 0.00 N ATOM 1345 CA VAL A 85 4.573 0.187 -11.829 1.00 0.00 C ATOM 1346 C VAL A 85 4.694 -0.892 -10.758 1.00 0.00 C ATOM 1347 O VAL A 85 5.642 -1.678 -10.758 1.00 0.00 O ATOM 1348 CB VAL A 85 3.975 -0.436 -13.104 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.556 -0.918 -12.848 1.00 0.00 C ATOM 1350 CG2 VAL A 85 4.009 0.563 -14.251 1.00 0.00 C ATOM 0 H VAL A 85 6.408 0.353 -12.828 1.00 0.00 H new ATOM 0 HA VAL A 85 3.910 0.975 -11.474 1.00 0.00 H new ATOM 0 HB VAL A 85 4.580 -1.298 -13.385 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.150 -1.355 -13.760 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.564 -1.669 -12.058 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.935 -0.076 -12.542 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.583 0.106 -15.144 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.428 1.445 -13.982 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.040 0.854 -14.450 1.00 0.00 H new ATOM 1360 N TYR A 86 3.727 -0.924 -9.847 1.00 0.00 N ATOM 1361 CA TYR A 86 3.726 -1.905 -8.769 1.00 0.00 C ATOM 1362 C TYR A 86 2.449 -2.740 -8.794 1.00 0.00 C ATOM 1363 O TYR A 86 1.374 -2.242 -9.128 1.00 0.00 O ATOM 1364 CB TYR A 86 3.865 -1.206 -7.415 1.00 0.00 C ATOM 1365 CG TYR A 86 5.090 -0.326 -7.311 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.359 -0.837 -7.552 1.00 0.00 C ATOM 1367 CD2 TYR A 86 4.978 1.016 -6.970 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.481 -0.037 -7.458 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.095 1.824 -6.875 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.344 1.293 -7.119 1.00 0.00 C ATOM 1371 OH TYR A 86 8.459 2.094 -7.024 1.00 0.00 O ATOM 0 H TYR A 86 2.934 -0.282 -9.834 1.00 0.00 H new ATOM 0 HA TYR A 86 4.577 -2.570 -8.916 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.977 -0.601 -7.235 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.902 -1.960 -6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.470 -1.878 -7.817 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.002 1.435 -6.776 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.460 -0.451 -7.649 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.990 2.866 -6.611 1.00 0.00 H new ATOM 0 HH TYR A 86 8.189 3.003 -6.777 1.00 0.00 H new ATOM 1381 N PHE A 87 2.577 -4.014 -8.437 1.00 0.00 N ATOM 1382 CA PHE A 87 1.434 -4.920 -8.418 1.00 0.00 C ATOM 1383 C PHE A 87 1.198 -5.469 -7.014 1.00 0.00 C ATOM 1384 O PHE A 87 1.975 -6.282 -6.515 1.00 0.00 O ATOM 1385 CB PHE A 87 1.656 -6.074 -9.398 1.00 0.00 C ATOM 1386 CG PHE A 87 1.794 -5.630 -10.827 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.946 -4.993 -11.260 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.772 -5.849 -11.736 1.00 0.00 C ATOM 1389 CE1 PHE A 87 3.075 -4.583 -12.573 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.895 -5.441 -13.051 1.00 0.00 C ATOM 1391 CZ PHE A 87 2.049 -4.808 -13.470 1.00 0.00 C ATOM 0 H PHE A 87 3.460 -4.442 -8.157 1.00 0.00 H new ATOM 0 HA PHE A 87 0.551 -4.358 -8.722 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.554 -6.619 -9.107 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.821 -6.771 -9.321 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.752 -4.815 -10.563 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.132 -6.344 -11.413 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.978 -4.087 -12.898 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.090 -5.617 -13.750 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.149 -4.490 -14.497 1.00 0.00 H new ATOM 1401 N VAL A 88 0.120 -5.017 -6.382 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.220 -5.461 -5.036 1.00 0.00 C ATOM 1403 C VAL A 88 -1.510 -6.275 -5.036 1.00 0.00 C ATOM 1404 O VAL A 88 -2.498 -5.892 -5.660 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.378 -4.269 -4.074 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.480 -4.753 -2.636 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.781 -3.297 -4.237 1.00 0.00 C ATOM 0 H VAL A 88 -0.533 -4.343 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 88 0.603 -6.088 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.301 -3.744 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.591 -3.897 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.346 -5.407 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.424 -5.302 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.654 -2.460 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.718 -3.808 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.803 -2.925 -5.261 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.493 -7.401 -4.328 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.667 -8.251 -4.259 1.00 0.00 C ATOM 1419 C GLY A 89 -2.322 -9.724 -4.345 1.00 0.00 C ATOM 1420 O GLY A 89 -1.730 -10.173 -5.327 1.00 0.00 O ATOM 0 H GLY A 89 -0.687 -7.739 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.196 -8.059 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.347 -7.992 -5.070 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.690 -10.479 -3.314 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.413 -11.910 -3.278 1.00 0.00 C ATOM 1426 C GLU A 90 -3.656 -12.695 -2.870 1.00 0.00 C ATOM 1427 O GLU A 90 -4.034 -12.714 -1.700 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.268 -12.205 -2.307 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.063 -13.687 -2.041 1.00 0.00 C ATOM 1430 CD GLU A 90 -0.132 -14.337 -3.047 1.00 0.00 C ATOM 1431 OE1 GLU A 90 -0.018 -13.814 -4.175 1.00 0.00 O ATOM 1432 OE2 GLU A 90 0.484 -15.368 -2.704 1.00 0.00 O ATOM 0 H GLU A 90 -3.180 -10.123 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.120 -12.223 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.345 -11.785 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.464 -11.698 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.658 -13.820 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.028 -14.193 -2.064 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.288 -13.340 -3.846 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.489 -14.125 -3.590 1.00 0.00 C ATOM 1441 C ASN A 91 -5.160 -15.613 -3.512 1.00 0.00 C ATOM 1442 O ASN A 91 -4.641 -16.195 -4.463 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.529 -13.878 -4.685 1.00 0.00 C ATOM 1444 CG ASN A 91 -7.899 -14.411 -4.313 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -8.039 -15.563 -3.902 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -8.918 -13.572 -4.455 1.00 0.00 N ATOM 0 H ASN A 91 -3.988 -13.334 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.900 -13.811 -2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.599 -12.808 -4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.198 -14.350 -5.610 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.864 -13.874 -4.220 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.755 -12.626 -4.799 1.00 0.00 H new ATOM 1646 N GLY A 107 -4.882 -12.468 0.915 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.199 -12.653 0.334 1.00 0.00 C ATOM 1648 C GLY A 107 -6.786 -11.359 -0.195 1.00 0.00 C ATOM 1649 O GLY A 107 -6.242 -10.280 0.042 1.00 0.00 O ATOM 0 HA2 GLY A 107 -6.136 -13.378 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.869 -13.072 1.085 1.00 0.00 H new ATOM 1653 N LEU A 108 -7.898 -11.466 -0.914 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.559 -10.295 -1.479 1.00 0.00 C ATOM 1655 C LEU A 108 -9.185 -9.440 -0.382 1.00 0.00 C ATOM 1656 O LEU A 108 -9.034 -8.219 -0.371 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.631 -10.725 -2.482 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.552 -9.618 -2.995 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.862 -8.811 -4.084 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.857 -10.207 -3.511 1.00 0.00 C ATOM 0 H LEU A 108 -8.361 -12.352 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.807 -9.697 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.136 -11.184 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.246 -11.496 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.781 -8.949 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.533 -8.028 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.955 -8.358 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.602 -9.468 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.501 -9.405 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.647 -10.899 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.360 -10.740 -2.704 1.00 0.00 H new ATOM 1672 N ASP A 109 -9.887 -10.091 0.539 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.534 -9.391 1.643 1.00 0.00 C ATOM 1674 C ASP A 109 -9.687 -8.211 2.109 1.00 0.00 C ATOM 1675 O ASP A 109 -10.118 -7.060 2.043 1.00 0.00 O ATOM 1676 CB ASP A 109 -10.780 -10.351 2.809 1.00 0.00 C ATOM 1677 CG ASP A 109 -11.816 -11.407 2.480 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -11.469 -12.382 1.782 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -12.976 -11.258 2.921 1.00 0.00 O ATOM 0 H ASP A 109 -10.023 -11.102 0.543 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.492 -9.010 1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -9.843 -10.837 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.108 -9.784 3.680 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.480 -8.506 2.582 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.572 -7.470 3.060 1.00 0.00 C ATOM 1686 C VAL A 110 -7.254 -6.466 1.956 1.00 0.00 C ATOM 1687 O VAL A 110 -7.158 -5.265 2.205 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.256 -8.074 3.583 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.605 -8.942 2.516 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.308 -6.974 4.038 1.00 0.00 C ATOM 0 H VAL A 110 -8.108 -9.454 2.644 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.079 -6.959 3.878 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.483 -8.705 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.676 -9.360 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.282 -9.752 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.390 -8.336 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.383 -7.419 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.086 -6.315 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.775 -6.399 4.837 1.00 0.00 H new ATOM 1700 N ALA A 111 -7.093 -6.968 0.736 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.789 -6.115 -0.406 1.00 0.00 C ATOM 1702 C ALA A 111 -7.857 -5.043 -0.591 1.00 0.00 C ATOM 1703 O ALA A 111 -7.547 -3.856 -0.689 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.655 -6.953 -1.669 1.00 0.00 C ATOM 0 H ALA A 111 -7.168 -7.961 0.513 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.840 -5.615 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.428 -6.303 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.850 -7.677 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.591 -7.480 -1.857 1.00 0.00 H new ATOM 1710 N GLN A 112 -9.115 -5.470 -0.637 1.00 0.00 N ATOM 1711 CA GLN A 112 -10.229 -4.545 -0.812 1.00 0.00 C ATOM 1712 C GLN A 112 -10.055 -3.311 0.068 1.00 0.00 C ATOM 1713 O GLN A 112 -10.271 -2.184 -0.376 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.552 -5.239 -0.483 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.958 -6.289 -1.504 1.00 0.00 C ATOM 1716 CD GLN A 112 -12.558 -5.683 -2.757 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.514 -4.909 -2.691 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -11.999 -6.031 -3.910 1.00 0.00 N ATOM 0 H GLN A 112 -9.388 -6.449 -0.556 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.244 -4.226 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.472 -5.709 0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.339 -4.488 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.086 -6.884 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.680 -6.969 -1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.208 -6.675 -3.919 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -12.360 -5.654 -4.786 1.00 0.00 H new ATOM 1727 N SER A 113 -9.664 -3.533 1.319 1.00 0.00 N ATOM 1728 CA SER A 113 -9.466 -2.440 2.263 1.00 0.00 C ATOM 1729 C SER A 113 -8.326 -1.533 1.812 1.00 0.00 C ATOM 1730 O SER A 113 -8.460 -0.309 1.798 1.00 0.00 O ATOM 1731 CB SER A 113 -9.172 -2.991 3.660 1.00 0.00 C ATOM 1732 OG SER A 113 -10.203 -3.862 4.092 1.00 0.00 O ATOM 0 H SER A 113 -9.478 -4.460 1.702 1.00 0.00 H new ATOM 0 HA SER A 113 -10.383 -1.852 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.221 -3.524 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.069 -2.166 4.365 1.00 0.00 H new ATOM 0 HG SER A 113 -9.991 -4.202 4.986 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.205 -2.141 1.443 1.00 0.00 N ATOM 1739 CA TRP A 114 -6.040 -1.389 0.991 1.00 0.00 C ATOM 1740 C TRP A 114 -6.355 -0.611 -0.282 1.00 0.00 C ATOM 1741 O TRP A 114 -6.319 0.619 -0.293 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.860 -2.332 0.748 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.103 -2.670 1.997 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.286 -3.763 2.795 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.046 -1.909 2.590 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.405 -3.727 3.850 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.633 -2.600 3.746 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.406 -0.713 2.256 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.611 -2.132 4.568 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.392 -0.249 3.073 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.002 -0.958 4.217 1.00 0.00 C ATOM 0 H TRP A 114 -7.078 -3.153 1.448 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.772 -0.678 1.773 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.227 -3.252 0.294 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.179 -1.873 0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.015 -4.541 2.623 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.337 -4.426 4.590 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.698 -0.161 1.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.310 -2.676 5.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.892 0.676 2.825 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.205 -0.570 4.834 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.663 -1.337 -1.353 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.984 -0.712 -2.631 1.00 0.00 C ATOM 1764 C GLU A 115 -7.910 0.485 -2.435 1.00 0.00 C ATOM 1765 O GLU A 115 -7.753 1.519 -3.085 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.638 -1.728 -3.570 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.883 -1.192 -4.971 1.00 0.00 C ATOM 1768 CD GLU A 115 -9.084 -1.833 -5.639 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -10.095 -2.064 -4.944 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -9.012 -2.104 -6.856 1.00 0.00 O ATOM 0 H GLU A 115 -6.697 -2.356 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.054 -0.360 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.003 -2.612 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.588 -2.048 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.032 -0.113 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -6.997 -1.364 -5.582 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.875 0.337 -1.534 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.827 1.404 -1.250 1.00 0.00 C ATOM 1779 C LYS A 116 -9.142 2.571 -0.547 1.00 0.00 C ATOM 1780 O LYS A 116 -9.055 3.672 -1.091 1.00 0.00 O ATOM 1781 CB LYS A 116 -10.974 0.876 -0.385 1.00 0.00 C ATOM 1782 CG LYS A 116 -11.992 0.057 -1.160 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.057 0.940 -1.788 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.284 0.135 -2.188 1.00 0.00 C ATOM 1785 NZ LYS A 116 -15.448 1.012 -2.492 1.00 0.00 N ATOM 0 H LYS A 116 -9.018 -0.512 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.230 1.759 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.561 0.263 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.480 1.718 0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -11.485 -0.513 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.463 -0.665 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.346 1.720 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -12.646 1.439 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -14.050 -0.474 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -14.547 -0.551 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.264 0.425 -2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.688 1.575 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.207 1.649 -3.278 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.656 2.323 0.665 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.975 3.352 1.441 1.00 0.00 C ATOM 1801 C ALA A 117 -6.999 4.139 0.572 1.00 0.00 C ATOM 1802 O ALA A 117 -7.095 5.362 0.466 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.248 2.728 2.623 1.00 0.00 C ATOM 0 H ALA A 117 -8.721 1.418 1.131 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.727 4.046 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.744 3.508 3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.967 2.217 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.512 2.011 2.260 1.00 0.00 H new ATOM 1809 N ILE A 118 -6.060 3.430 -0.046 1.00 0.00 N ATOM 1810 CA ILE A 118 -5.067 4.063 -0.905 1.00 0.00 C ATOM 1811 C ILE A 118 -5.732 4.955 -1.948 1.00 0.00 C ATOM 1812 O ILE A 118 -5.466 6.155 -2.013 1.00 0.00 O ATOM 1813 CB ILE A 118 -4.194 3.016 -1.622 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -3.289 2.301 -0.617 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -3.365 3.676 -2.713 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.622 1.064 -1.177 1.00 0.00 C ATOM 0 H ILE A 118 -5.966 2.417 0.032 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.433 4.672 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.846 2.276 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.521 2.995 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.879 2.022 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.753 2.923 -3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.028 4.144 -3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.719 4.434 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.996 0.609 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.384 0.351 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.005 1.339 -2.032 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.598 4.360 -2.762 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.301 5.100 -3.802 1.00 0.00 C ATOM 1830 C ARG A 119 -7.998 6.327 -3.220 1.00 0.00 C ATOM 1831 O ARG A 119 -8.062 7.377 -3.859 1.00 0.00 O ATOM 1832 CB ARG A 119 -8.326 4.200 -4.495 1.00 0.00 C ATOM 1833 CG ARG A 119 -9.010 4.857 -5.682 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.675 3.828 -6.582 1.00 0.00 C ATOM 1835 NE ARG A 119 -10.794 3.163 -5.920 1.00 0.00 N ATOM 1836 CZ ARG A 119 -11.325 2.021 -6.343 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -10.840 1.419 -7.420 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -12.342 1.477 -5.686 1.00 0.00 N ATOM 0 H ARG A 119 -6.829 3.367 -2.721 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.566 5.433 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.829 3.290 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -9.083 3.901 -3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.757 5.567 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.278 5.425 -6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.029 4.316 -7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -8.939 3.083 -6.886 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.190 3.599 -5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -10.057 1.833 -7.926 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -11.250 0.542 -7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.717 1.936 -4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -12.749 0.600 -6.012 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.517 6.185 -2.005 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.210 7.282 -1.338 1.00 0.00 C ATOM 1854 C GLN A 120 -8.216 8.301 -0.791 1.00 0.00 C ATOM 1855 O GLN A 120 -8.557 9.464 -0.580 1.00 0.00 O ATOM 1856 CB GLN A 120 -10.085 6.745 -0.204 1.00 0.00 C ATOM 1857 CG GLN A 120 -11.523 6.479 -0.619 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.676 5.185 -1.393 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -11.437 5.138 -2.600 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -12.077 4.124 -0.702 1.00 0.00 N ATOM 0 H GLN A 120 -8.471 5.322 -1.462 1.00 0.00 H new ATOM 0 HA GLN A 120 -9.844 7.779 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -9.648 5.821 0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -10.079 7.461 0.618 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -12.153 6.443 0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.880 7.308 -1.230 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -12.264 4.207 0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -12.198 3.226 -1.171 1.00 0.00 H new ATOM 1869 N ALA A 121 -6.984 7.855 -0.562 1.00 0.00 N ATOM 1870 CA ALA A 121 -5.940 8.729 -0.041 1.00 0.00 C ATOM 1871 C ALA A 121 -5.626 9.854 -1.021 1.00 0.00 C ATOM 1872 O ALA A 121 -5.262 10.959 -0.618 1.00 0.00 O ATOM 1873 CB ALA A 121 -4.684 7.926 0.264 1.00 0.00 C ATOM 0 H ALA A 121 -6.685 6.894 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.304 9.179 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.912 8.591 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.912 7.162 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.326 7.449 -0.649 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.767 9.566 -2.311 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.497 10.554 -3.349 1.00 0.00 C ATOM 1881 C LEU A 122 -6.560 11.648 -3.349 1.00 0.00 C ATOM 1882 O LEU A 122 -6.251 12.826 -3.524 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.444 9.879 -4.721 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.187 9.061 -5.019 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -4.179 7.778 -4.201 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -4.094 8.748 -6.505 1.00 0.00 C ATOM 0 H LEU A 122 -6.067 8.656 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.531 11.012 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.310 9.224 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.542 10.649 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.316 9.653 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.277 7.209 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.198 8.023 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.056 7.182 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.193 8.165 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.969 8.175 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.053 9.679 -7.071 1.00 0.00 H new