USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 65 ASN : amide:sc= 0.0909 K(o=0.93,f=-5.9!) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.838 K(o=0.93,f=-5.7!) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc=-0.000253 (180deg=-0.113) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.922 X(o=-0.92,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.8) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 1.08 (180deg=1.08) USER MOD Single : A 34 LYS NZ :NH3+ 158:sc= 0.797 (180deg=0.475) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.00286 K(o=0.0029,f=-0.97) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.279 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00436 USER MOD Single : A 47 HIS : +bothHN:sc= 1.93 K(o=1.9,f=-6.1!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 52 SER OG : rot -134:sc= 0.621 USER MOD Single : A 53 SER OG : rot -31:sc= 0.287 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0526 K(o=-0.053,f=-5.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.172 USER MOD Single : A 70 GLN : amide:sc= -0.318 K(o=-0.32,f=-1.5) USER MOD Single : A 74 ASN : amide:sc= 0.829 K(o=0.83,f=0) USER MOD Single : A 77 MET CE :methyl -176:sc= -0.119 (180deg=-0.137) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 172:sc=-0.00972 (180deg=-0.172) USER MOD Single : A 81 GLN : amide:sc= -0.36 K(o=-0.36,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 10 9.092 14.779 -10.685 1.00 0.00 N ATOM 129 CA VAL A 10 9.093 15.567 -9.460 1.00 0.00 C ATOM 130 C VAL A 10 8.367 16.886 -9.701 1.00 0.00 C ATOM 131 O VAL A 10 8.281 17.363 -10.834 1.00 0.00 O ATOM 132 CB VAL A 10 10.529 15.824 -8.976 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.247 14.522 -8.628 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.336 16.556 -10.045 1.00 0.00 C ATOM 0 HA VAL A 10 8.573 15.008 -8.682 1.00 0.00 H new ATOM 0 HB VAL A 10 10.455 16.439 -8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.259 14.744 -8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.704 14.008 -7.835 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.291 13.884 -9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.349 16.728 -9.682 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.373 15.951 -10.951 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.863 17.513 -10.267 1.00 0.00 H new ATOM 144 N GLU A 11 7.842 17.478 -8.629 1.00 0.00 N ATOM 145 CA GLU A 11 7.132 18.750 -8.687 1.00 0.00 C ATOM 146 C GLU A 11 8.108 19.922 -8.702 1.00 0.00 C ATOM 147 O GLU A 11 9.275 19.770 -8.342 1.00 0.00 O ATOM 148 CB GLU A 11 6.181 18.861 -7.490 1.00 0.00 C ATOM 149 CG GLU A 11 5.084 17.795 -7.552 1.00 0.00 C ATOM 150 CD GLU A 11 4.159 17.950 -8.762 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.396 16.993 -9.022 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.213 19.014 -9.422 1.00 0.00 O ATOM 0 H GLU A 11 7.899 17.084 -7.690 1.00 0.00 H new ATOM 0 HA GLU A 11 6.555 18.786 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.745 18.753 -6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.728 19.852 -7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.547 16.808 -7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.489 17.842 -6.640 1.00 0.00 H new ATOM 159 N LYS A 12 7.621 21.094 -9.123 1.00 0.00 N ATOM 160 CA LYS A 12 8.414 22.311 -9.183 1.00 0.00 C ATOM 161 C LYS A 12 7.594 23.550 -8.846 1.00 0.00 C ATOM 162 O LYS A 12 6.395 23.610 -9.111 1.00 0.00 O ATOM 163 CB LYS A 12 9.072 22.471 -10.556 1.00 0.00 C ATOM 164 CG LYS A 12 10.433 21.780 -10.594 1.00 0.00 C ATOM 165 CD LYS A 12 11.122 22.044 -11.931 1.00 0.00 C ATOM 166 CE LYS A 12 12.547 21.483 -11.923 1.00 0.00 C ATOM 167 NZ LYS A 12 12.559 20.021 -11.736 1.00 0.00 N ATOM 0 H LYS A 12 6.657 21.218 -9.433 1.00 0.00 H new ATOM 0 HA LYS A 12 9.193 22.215 -8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.425 22.050 -11.325 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.191 23.530 -10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.057 22.144 -9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.308 20.707 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.550 21.586 -12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.148 23.116 -12.127 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.041 21.733 -12.862 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.119 21.956 -11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.526 19.662 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.235 19.791 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.925 19.577 -12.430 1.00 0.00 H new ATOM 181 N ILE A 13 8.271 24.538 -8.257 1.00 0.00 N ATOM 182 CA ILE A 13 7.715 25.839 -7.917 1.00 0.00 C ATOM 183 C ILE A 13 8.808 26.888 -8.106 1.00 0.00 C ATOM 184 O ILE A 13 9.990 26.581 -7.952 1.00 0.00 O ATOM 185 CB ILE A 13 7.184 25.834 -6.474 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.948 24.928 -6.368 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.841 27.252 -6.012 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.359 24.928 -4.957 1.00 0.00 C ATOM 0 H ILE A 13 9.253 24.446 -7.997 1.00 0.00 H new ATOM 0 HA ILE A 13 6.873 26.074 -8.567 1.00 0.00 H new ATOM 0 HB ILE A 13 7.967 25.444 -5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.191 25.263 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.219 23.910 -6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.468 27.221 -4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.735 27.874 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.076 27.672 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.487 24.275 -4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.107 24.568 -4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.063 25.941 -4.686 1.00 0.00 H new ATOM 200 N LYS A 14 8.420 28.121 -8.435 1.00 0.00 N ATOM 201 CA LYS A 14 9.347 29.233 -8.583 1.00 0.00 C ATOM 202 C LYS A 14 8.689 30.528 -8.116 1.00 0.00 C ATOM 203 O LYS A 14 7.531 30.785 -8.441 1.00 0.00 O ATOM 204 CB LYS A 14 9.813 29.328 -10.037 1.00 0.00 C ATOM 205 CG LYS A 14 10.689 30.568 -10.259 1.00 0.00 C ATOM 206 CD LYS A 14 11.225 30.625 -11.691 1.00 0.00 C ATOM 207 CE LYS A 14 10.081 30.678 -12.706 1.00 0.00 C ATOM 208 NZ LYS A 14 10.593 30.778 -14.083 1.00 0.00 N ATOM 0 H LYS A 14 7.447 28.373 -8.606 1.00 0.00 H new ATOM 0 HA LYS A 14 10.225 29.064 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.374 28.431 -10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.947 29.368 -10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.109 31.467 -10.050 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.523 30.556 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.861 31.502 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.847 29.751 -11.885 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.464 29.785 -12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.440 31.533 -12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.795 30.812 -14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.162 31.643 -14.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.185 29.949 -14.294 1.00 0.00 H new ATOM 222 N GLN A 15 9.429 31.337 -7.353 1.00 0.00 N ATOM 223 CA GLN A 15 8.934 32.606 -6.852 1.00 0.00 C ATOM 224 C GLN A 15 10.094 33.536 -6.489 1.00 0.00 C ATOM 225 O GLN A 15 11.169 33.077 -6.098 1.00 0.00 O ATOM 226 CB GLN A 15 8.007 32.357 -5.655 1.00 0.00 C ATOM 227 CG GLN A 15 7.542 33.660 -5.000 1.00 0.00 C ATOM 228 CD GLN A 15 6.848 34.588 -5.987 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.096 34.145 -6.850 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.095 35.890 -5.870 1.00 0.00 N ATOM 0 H GLN A 15 10.386 31.124 -7.070 1.00 0.00 H new ATOM 0 HA GLN A 15 8.359 33.104 -7.633 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.138 31.788 -5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.527 31.747 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.861 33.429 -4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.401 34.172 -4.566 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.725 36.226 -5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.654 36.552 -6.509 1.00 0.00 H new ATOM 239 N TRP A 16 9.870 34.846 -6.621 1.00 0.00 N ATOM 240 CA TRP A 16 10.847 35.874 -6.312 1.00 0.00 C ATOM 241 C TRP A 16 10.744 36.316 -4.854 1.00 0.00 C ATOM 242 O TRP A 16 9.662 36.306 -4.271 1.00 0.00 O ATOM 243 CB TRP A 16 10.600 37.074 -7.225 1.00 0.00 C ATOM 244 CG TRP A 16 10.650 36.783 -8.691 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.668 36.196 -9.409 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.743 37.014 -9.634 1.00 0.00 C ATOM 247 NE1 TRP A 16 10.070 36.046 -10.718 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.341 36.544 -10.918 1.00 0.00 C ATOM 249 CE3 TRP A 16 13.022 37.592 -9.540 1.00 0.00 C ATOM 250 CZ2 TRP A 16 12.171 36.631 -12.041 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.857 37.692 -10.665 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.437 37.211 -11.912 1.00 0.00 C ATOM 0 H TRP A 16 8.982 35.222 -6.954 1.00 0.00 H new ATOM 0 HA TRP A 16 11.846 35.468 -6.472 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.623 37.495 -6.988 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.341 37.841 -6.998 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.710 35.890 -9.015 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.499 35.620 -11.448 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.368 37.965 -8.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.838 36.254 -12.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.833 38.144 -10.568 1.00 0.00 H new ATOM 0 HH2 TRP A 16 14.088 37.288 -12.770 1.00 0.00 H new ATOM 263 N ILE A 17 11.882 36.712 -4.274 1.00 0.00 N ATOM 264 CA ILE A 17 11.940 37.339 -2.959 1.00 0.00 C ATOM 265 C ILE A 17 12.900 38.525 -3.073 1.00 0.00 C ATOM 266 O ILE A 17 13.893 38.436 -3.793 1.00 0.00 O ATOM 267 CB ILE A 17 12.393 36.342 -1.876 1.00 0.00 C ATOM 268 CG1 ILE A 17 13.911 36.122 -1.915 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.633 35.018 -1.981 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.371 35.081 -0.898 1.00 0.00 C ATOM 0 H ILE A 17 12.796 36.603 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 17 10.951 37.678 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 17 12.152 36.781 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.204 35.804 -2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.418 37.067 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.978 34.338 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.566 35.200 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.814 34.571 -2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.452 34.961 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.103 35.410 0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.886 34.128 -1.109 1.00 0.00 H new ATOM 282 N PRO A 18 12.626 39.633 -2.378 1.00 0.00 N ATOM 283 CA PRO A 18 13.453 40.824 -2.424 1.00 0.00 C ATOM 284 C PRO A 18 14.843 40.515 -1.879 1.00 0.00 C ATOM 285 O PRO A 18 14.998 39.707 -0.963 1.00 0.00 O ATOM 286 CB PRO A 18 12.721 41.862 -1.572 1.00 0.00 C ATOM 287 CG PRO A 18 11.884 41.015 -0.616 1.00 0.00 C ATOM 288 CD PRO A 18 11.499 39.820 -1.482 1.00 0.00 C ATOM 0 HA PRO A 18 13.600 41.194 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.419 42.503 -1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.096 42.513 -2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.454 40.712 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.008 41.555 -0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.324 38.932 -0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.581 40.013 -2.036 1.00 0.00 H new ATOM 296 N THR A 19 15.865 41.161 -2.443 1.00 0.00 N ATOM 297 CA THR A 19 17.247 40.937 -2.039 1.00 0.00 C ATOM 298 C THR A 19 17.565 41.247 -0.577 1.00 0.00 C ATOM 299 O THR A 19 18.632 40.892 -0.081 1.00 0.00 O ATOM 300 CB THR A 19 18.237 41.577 -3.016 1.00 0.00 C ATOM 301 OG1 THR A 19 17.663 41.690 -4.302 1.00 0.00 O ATOM 302 CG2 THR A 19 19.523 40.760 -3.115 1.00 0.00 C ATOM 0 H THR A 19 15.756 41.849 -3.188 1.00 0.00 H new ATOM 0 HA THR A 19 17.378 39.856 -2.097 1.00 0.00 H new ATOM 0 HB THR A 19 18.476 42.569 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.308 42.102 -4.913 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.206 41.240 -3.816 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.993 40.701 -2.133 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.289 39.755 -3.466 1.00 0.00 H new ATOM 310 N THR A 20 16.628 41.909 0.106 1.00 0.00 N ATOM 311 CA THR A 20 16.754 42.256 1.515 1.00 0.00 C ATOM 312 C THR A 20 16.549 41.103 2.490 1.00 0.00 C ATOM 313 O THR A 20 16.782 41.260 3.688 1.00 0.00 O ATOM 314 CB THR A 20 15.896 43.474 1.872 1.00 0.00 C ATOM 315 OG1 THR A 20 14.610 43.045 2.263 1.00 0.00 O ATOM 316 CG2 THR A 20 15.754 44.449 0.702 1.00 0.00 C ATOM 0 H THR A 20 15.752 42.221 -0.313 1.00 0.00 H new ATOM 0 HA THR A 20 17.803 42.524 1.642 1.00 0.00 H new ATOM 0 HB THR A 20 16.398 43.996 2.687 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.061 43.824 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.137 45.295 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.740 44.807 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.284 43.941 -0.140 1.00 0.00 H new ATOM 324 N GLU A 21 16.113 39.945 1.985 1.00 0.00 N ATOM 325 CA GLU A 21 15.900 38.767 2.815 1.00 0.00 C ATOM 326 C GLU A 21 16.494 37.499 2.202 1.00 0.00 C ATOM 327 O GLU A 21 16.328 36.415 2.760 1.00 0.00 O ATOM 328 CB GLU A 21 14.411 38.606 3.136 1.00 0.00 C ATOM 329 CG GLU A 21 13.559 38.281 1.907 1.00 0.00 C ATOM 330 CD GLU A 21 12.070 38.231 2.251 1.00 0.00 C ATOM 331 OE1 GLU A 21 11.717 38.540 3.412 1.00 0.00 O ATOM 332 OE2 GLU A 21 11.285 37.884 1.345 1.00 0.00 O ATOM 0 H GLU A 21 15.901 39.803 0.997 1.00 0.00 H new ATOM 0 HA GLU A 21 16.437 38.922 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.289 37.813 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.043 39.525 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.730 39.033 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.869 37.322 1.492 1.00 0.00 H new ATOM 339 N VAL A 22 17.190 37.609 1.064 1.00 0.00 N ATOM 340 CA VAL A 22 17.870 36.459 0.476 1.00 0.00 C ATOM 341 C VAL A 22 18.951 35.977 1.444 1.00 0.00 C ATOM 342 O VAL A 22 19.312 34.801 1.446 1.00 0.00 O ATOM 343 CB VAL A 22 18.505 36.873 -0.856 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.421 35.782 -1.411 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.425 37.157 -1.897 1.00 0.00 C ATOM 0 H VAL A 22 17.294 38.477 0.539 1.00 0.00 H new ATOM 0 HA VAL A 22 17.159 35.653 0.295 1.00 0.00 H new ATOM 0 HB VAL A 22 19.092 37.770 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 22 19.851 36.114 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.221 35.581 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.844 34.872 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.893 37.450 -2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.826 36.260 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.783 37.965 -1.545 1.00 0.00 H new ATOM 355 N GLY A 23 19.474 36.884 2.275 1.00 0.00 N ATOM 356 CA GLY A 23 20.514 36.561 3.235 1.00 0.00 C ATOM 357 C GLY A 23 19.995 35.693 4.379 1.00 0.00 C ATOM 358 O GLY A 23 20.789 35.122 5.122 1.00 0.00 O ATOM 0 H GLY A 23 19.183 37.861 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.326 36.041 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.930 37.483 3.641 1.00 0.00 H new ATOM 362 N LYS A 24 18.668 35.578 4.532 1.00 0.00 N ATOM 363 CA LYS A 24 18.083 34.729 5.560 1.00 0.00 C ATOM 364 C LYS A 24 18.056 33.268 5.117 1.00 0.00 C ATOM 365 O LYS A 24 18.067 32.373 5.958 1.00 0.00 O ATOM 366 CB LYS A 24 16.670 35.205 5.896 1.00 0.00 C ATOM 367 CG LYS A 24 16.687 36.632 6.453 1.00 0.00 C ATOM 368 CD LYS A 24 15.277 37.098 6.820 1.00 0.00 C ATOM 369 CE LYS A 24 14.664 36.201 7.896 1.00 0.00 C ATOM 370 NZ LYS A 24 13.314 36.661 8.260 1.00 0.00 N ATOM 0 H LYS A 24 17.985 36.066 3.952 1.00 0.00 H new ATOM 0 HA LYS A 24 18.704 34.801 6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.048 35.168 5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.220 34.532 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.328 36.674 7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.116 37.309 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.312 38.127 7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.645 37.090 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.617 35.174 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.302 36.199 8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.920 36.036 8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.365 37.633 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.702 36.639 7.420 1.00 0.00 H new ATOM 384 N ILE A 25 18.026 33.025 3.804 1.00 0.00 N ATOM 385 CA ILE A 25 18.015 31.670 3.259 1.00 0.00 C ATOM 386 C ILE A 25 19.446 31.155 3.116 1.00 0.00 C ATOM 387 O ILE A 25 19.728 30.001 3.431 1.00 0.00 O ATOM 388 CB ILE A 25 17.329 31.671 1.888 1.00 0.00 C ATOM 389 CG1 ILE A 25 15.888 32.189 1.992 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.360 30.265 1.280 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.235 32.248 0.611 1.00 0.00 C ATOM 0 H ILE A 25 18.009 33.758 3.095 1.00 0.00 H new ATOM 0 HA ILE A 25 17.466 31.017 3.938 1.00 0.00 H new ATOM 0 HB ILE A 25 17.877 32.346 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.308 31.538 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.884 33.181 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.870 30.279 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.394 29.943 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.838 29.572 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.214 32.618 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.805 32.918 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.220 31.250 0.173 1.00 0.00 H new ATOM 403 N LEU A 26 20.347 32.019 2.639 1.00 0.00 N ATOM 404 CA LEU A 26 21.721 31.643 2.342 1.00 0.00 C ATOM 405 C LEU A 26 22.674 31.934 3.501 1.00 0.00 C ATOM 406 O LEU A 26 23.871 31.679 3.394 1.00 0.00 O ATOM 407 CB LEU A 26 22.162 32.354 1.060 1.00 0.00 C ATOM 408 CG LEU A 26 21.249 32.040 -0.129 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.762 32.789 -1.353 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.253 30.541 -0.433 1.00 0.00 C ATOM 0 H LEU A 26 20.138 32.999 2.450 1.00 0.00 H new ATOM 0 HA LEU A 26 21.760 30.564 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.173 33.430 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.183 32.059 0.818 1.00 0.00 H new ATOM 0 HG LEU A 26 20.233 32.348 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.120 32.573 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.753 33.861 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.780 32.469 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.598 30.340 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.267 30.221 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.897 29.992 0.439 1.00 0.00 H new ATOM 422 N GLY A 27 22.152 32.463 4.609 1.00 0.00 N ATOM 423 CA GLY A 27 22.965 32.780 5.777 1.00 0.00 C ATOM 424 C GLY A 27 23.542 31.518 6.409 1.00 0.00 C ATOM 425 O GLY A 27 22.954 30.440 6.303 1.00 0.00 O ATOM 0 H GLY A 27 21.162 32.681 4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.776 33.448 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.360 33.313 6.510 1.00 0.00 H new ATOM 429 N ASN A 28 24.696 31.660 7.069 1.00 0.00 N ATOM 430 CA ASN A 28 25.397 30.568 7.732 1.00 0.00 C ATOM 431 C ASN A 28 25.512 29.350 6.815 1.00 0.00 C ATOM 432 O ASN A 28 24.955 28.294 7.106 1.00 0.00 O ATOM 433 CB ASN A 28 24.706 30.247 9.062 1.00 0.00 C ATOM 434 CG ASN A 28 25.489 29.231 9.891 1.00 0.00 C ATOM 435 OD1 ASN A 28 26.584 28.811 9.520 1.00 0.00 O ATOM 436 ND2 ASN A 28 24.928 28.833 11.024 1.00 0.00 N ATOM 0 H ASN A 28 25.174 32.557 7.156 1.00 0.00 H new ATOM 0 HA ASN A 28 26.419 30.874 7.955 1.00 0.00 H new ATOM 0 HB2 ASN A 28 24.584 31.165 9.637 1.00 0.00 H new ATOM 0 HB3 ASN A 28 23.706 29.859 8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 28 25.406 28.157 11.620 1.00 0.00 H new ATOM 0 HD22 ASN A 28 24.018 29.203 11.300 1.00 0.00 H new ATOM 443 N ARG A 29 26.238 29.501 5.698 1.00 0.00 N ATOM 444 CA ARG A 29 26.477 28.411 4.757 1.00 0.00 C ATOM 445 C ARG A 29 25.172 27.807 4.242 1.00 0.00 C ATOM 446 O ARG A 29 25.100 26.604 3.988 1.00 0.00 O ATOM 447 CB ARG A 29 27.402 27.365 5.391 1.00 0.00 C ATOM 448 CG ARG A 29 28.743 27.984 5.806 1.00 0.00 C ATOM 449 CD ARG A 29 29.507 27.029 6.724 1.00 0.00 C ATOM 450 NE ARG A 29 28.809 26.867 8.005 1.00 0.00 N ATOM 451 CZ ARG A 29 28.658 25.708 8.653 1.00 0.00 C ATOM 452 NH1 ARG A 29 29.163 24.579 8.166 1.00 0.00 N ATOM 453 NH2 ARG A 29 27.991 25.684 9.802 1.00 0.00 N ATOM 0 H ARG A 29 26.673 30.383 5.427 1.00 0.00 H new ATOM 0 HA ARG A 29 26.982 28.814 3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.916 26.928 6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.577 26.555 4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 29 29.340 28.203 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.571 28.931 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.615 26.059 6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 29 30.513 27.412 6.899 1.00 0.00 H new ATOM 0 HE ARG A 29 28.409 27.702 8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 29 29.675 24.588 7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 29 29.038 23.703 8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 29 27.599 26.546 10.182 1.00 0.00 H new ATOM 0 HH22 ARG A 29 27.871 24.804 10.304 1.00 0.00 H new ATOM 467 N ALA A 30 24.143 28.648 4.095 1.00 0.00 N ATOM 468 CA ALA A 30 22.813 28.246 3.659 1.00 0.00 C ATOM 469 C ALA A 30 22.208 27.152 4.540 1.00 0.00 C ATOM 470 O ALA A 30 21.353 26.394 4.088 1.00 0.00 O ATOM 471 CB ALA A 30 22.827 27.875 2.174 1.00 0.00 C ATOM 0 H ALA A 30 24.219 29.648 4.281 1.00 0.00 H new ATOM 0 HA ALA A 30 22.150 29.103 3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.825 27.577 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.147 28.736 1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.518 27.048 2.012 1.00 0.00 H new ATOM 477 N ALA A 31 22.637 27.060 5.802 1.00 0.00 N ATOM 478 CA ALA A 31 22.130 26.050 6.721 1.00 0.00 C ATOM 479 C ALA A 31 20.623 26.204 6.944 1.00 0.00 C ATOM 480 O ALA A 31 19.957 25.241 7.314 1.00 0.00 O ATOM 481 CB ALA A 31 22.877 26.180 8.046 1.00 0.00 C ATOM 0 H ALA A 31 23.339 27.679 6.208 1.00 0.00 H new ATOM 0 HA ALA A 31 22.295 25.062 6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.509 25.430 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 31 23.943 26.028 7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.713 27.175 8.460 1.00 0.00 H new ATOM 487 N VAL A 32 20.086 27.407 6.718 1.00 0.00 N ATOM 488 CA VAL A 32 18.662 27.657 6.859 1.00 0.00 C ATOM 489 C VAL A 32 17.914 27.017 5.693 1.00 0.00 C ATOM 490 O VAL A 32 16.821 26.485 5.877 1.00 0.00 O ATOM 491 CB VAL A 32 18.401 29.165 6.905 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.899 29.437 6.960 1.00 0.00 C ATOM 493 CG2 VAL A 32 19.077 29.775 8.134 1.00 0.00 C ATOM 0 H VAL A 32 20.627 28.224 6.435 1.00 0.00 H new ATOM 0 HA VAL A 32 18.304 27.217 7.790 1.00 0.00 H new ATOM 0 HB VAL A 32 18.814 29.619 6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.725 30.513 6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.421 29.019 6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.478 28.974 7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 32 18.886 30.848 8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.676 29.314 9.036 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.151 29.598 8.083 1.00 0.00 H new ATOM 503 N LYS A 33 18.498 27.058 4.488 1.00 0.00 N ATOM 504 CA LYS A 33 17.886 26.446 3.319 1.00 0.00 C ATOM 505 C LYS A 33 17.935 24.934 3.461 1.00 0.00 C ATOM 506 O LYS A 33 16.980 24.238 3.118 1.00 0.00 O ATOM 507 CB LYS A 33 18.643 26.894 2.065 1.00 0.00 C ATOM 508 CG LYS A 33 17.924 26.431 0.794 1.00 0.00 C ATOM 509 CD LYS A 33 18.661 26.923 -0.452 1.00 0.00 C ATOM 510 CE LYS A 33 20.003 26.206 -0.647 1.00 0.00 C ATOM 511 NZ LYS A 33 19.808 24.777 -0.966 1.00 0.00 N ATOM 0 H LYS A 33 19.394 27.511 4.305 1.00 0.00 H new ATOM 0 HA LYS A 33 16.845 26.756 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.735 27.980 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.655 26.489 2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.863 25.343 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.901 26.808 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.035 26.765 -1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.832 27.997 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.561 26.687 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.603 26.300 0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.732 24.328 -1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.327 24.307 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.228 24.689 -1.825 1.00 0.00 H new ATOM 525 N LYS A 34 19.058 24.421 3.979 1.00 0.00 N ATOM 526 CA LYS A 34 19.273 22.992 4.173 1.00 0.00 C ATOM 527 C LYS A 34 18.364 22.425 5.261 1.00 0.00 C ATOM 528 O LYS A 34 18.091 21.228 5.265 1.00 0.00 O ATOM 529 CB LYS A 34 20.747 22.760 4.517 1.00 0.00 C ATOM 530 CG LYS A 34 21.641 23.152 3.338 1.00 0.00 C ATOM 531 CD LYS A 34 23.103 23.220 3.784 1.00 0.00 C ATOM 532 CE LYS A 34 23.972 23.640 2.596 1.00 0.00 C ATOM 533 NZ LYS A 34 25.369 23.867 3.014 1.00 0.00 N ATOM 0 H LYS A 34 19.846 24.996 4.276 1.00 0.00 H new ATOM 0 HA LYS A 34 19.021 22.468 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.018 23.345 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.907 21.712 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.532 22.426 2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.329 24.118 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.214 23.933 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.426 22.250 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.940 22.868 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.570 24.550 2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.996 23.781 2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.459 24.820 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.637 23.160 3.728 1.00 0.00 H new ATOM 547 N HIS A 35 17.899 23.275 6.185 1.00 0.00 N ATOM 548 CA HIS A 35 16.978 22.843 7.229 1.00 0.00 C ATOM 549 C HIS A 35 15.593 22.570 6.650 1.00 0.00 C ATOM 550 O HIS A 35 14.898 21.672 7.116 1.00 0.00 O ATOM 551 CB HIS A 35 16.881 23.928 8.304 1.00 0.00 C ATOM 552 CG HIS A 35 15.907 23.572 9.395 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.130 22.679 10.428 1.00 0.00 N ATOM 554 CD2 HIS A 35 14.645 24.080 9.542 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.018 22.644 11.188 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.105 23.487 10.668 1.00 0.00 N ATOM 0 H HIS A 35 18.148 24.263 6.226 1.00 0.00 H new ATOM 0 HA HIS A 35 17.357 21.920 7.668 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.866 24.092 8.740 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.577 24.867 7.842 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.164 24.804 8.902 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.881 22.038 12.071 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.172 23.659 11.042 1.00 0.00 H new ATOM 565 N ILE A 36 15.192 23.339 5.634 1.00 0.00 N ATOM 566 CA ILE A 36 13.890 23.167 5.006 1.00 0.00 C ATOM 567 C ILE A 36 13.891 21.927 4.114 1.00 0.00 C ATOM 568 O ILE A 36 12.858 21.277 3.950 1.00 0.00 O ATOM 569 CB ILE A 36 13.536 24.435 4.218 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.444 25.626 5.182 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.213 24.256 3.469 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.286 26.952 4.441 1.00 0.00 C ATOM 0 H ILE A 36 15.756 24.087 5.232 1.00 0.00 H new ATOM 0 HA ILE A 36 13.128 23.015 5.770 1.00 0.00 H new ATOM 0 HB ILE A 36 14.318 24.624 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.598 25.484 5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.341 25.661 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.981 25.167 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.299 23.422 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.415 24.052 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.225 27.767 5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.145 27.109 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.375 26.928 3.843 1.00 0.00 H new ATOM 584 N GLU A 37 15.047 21.591 3.539 1.00 0.00 N ATOM 585 CA GLU A 37 15.173 20.424 2.673 1.00 0.00 C ATOM 586 C GLU A 37 15.019 19.119 3.451 1.00 0.00 C ATOM 587 O GLU A 37 14.518 18.139 2.905 1.00 0.00 O ATOM 588 CB GLU A 37 16.526 20.467 1.966 1.00 0.00 C ATOM 589 CG GLU A 37 16.564 21.653 0.996 1.00 0.00 C ATOM 590 CD GLU A 37 17.919 21.787 0.298 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.846 21.024 0.646 1.00 0.00 O ATOM 592 OE2 GLU A 37 18.008 22.663 -0.590 1.00 0.00 O ATOM 0 H GLU A 37 15.913 22.116 3.660 1.00 0.00 H new ATOM 0 HA GLU A 37 14.370 20.454 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.328 20.558 2.699 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.694 19.536 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.782 21.532 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.345 22.572 1.540 1.00 0.00 H new ATOM 599 N ARG A 38 15.439 19.090 4.722 1.00 0.00 N ATOM 600 CA ARG A 38 15.276 17.905 5.556 1.00 0.00 C ATOM 601 C ARG A 38 13.934 17.934 6.291 1.00 0.00 C ATOM 602 O ARG A 38 13.505 16.920 6.833 1.00 0.00 O ATOM 603 CB ARG A 38 16.449 17.796 6.538 1.00 0.00 C ATOM 604 CG ARG A 38 16.495 18.962 7.526 1.00 0.00 C ATOM 605 CD ARG A 38 17.660 18.794 8.501 1.00 0.00 C ATOM 606 NE ARG A 38 17.488 17.591 9.331 1.00 0.00 N ATOM 607 CZ ARG A 38 18.312 16.539 9.333 1.00 0.00 C ATOM 608 NH1 ARG A 38 19.392 16.515 8.558 1.00 0.00 N ATOM 609 NH2 ARG A 38 18.053 15.498 10.120 1.00 0.00 N ATOM 0 H ARG A 38 15.893 19.875 5.190 1.00 0.00 H new ATOM 0 HA ARG A 38 15.276 17.021 4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.371 16.859 7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.384 17.760 5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.600 19.902 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.557 19.016 8.078 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.596 18.726 7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.732 19.674 9.141 1.00 0.00 H new ATOM 0 HE ARG A 38 16.679 17.558 9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.601 17.307 7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.011 15.705 8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.228 15.505 10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.680 14.693 10.124 1.00 0.00 H new ATOM 623 N GLN A 39 13.276 19.097 6.305 1.00 0.00 N ATOM 624 CA GLN A 39 11.980 19.267 6.946 1.00 0.00 C ATOM 625 C GLN A 39 10.849 18.774 6.042 1.00 0.00 C ATOM 626 O GLN A 39 9.816 18.332 6.539 1.00 0.00 O ATOM 627 CB GLN A 39 11.805 20.752 7.266 1.00 0.00 C ATOM 628 CG GLN A 39 10.422 21.075 7.833 1.00 0.00 C ATOM 629 CD GLN A 39 10.306 22.540 8.246 1.00 0.00 C ATOM 630 OE1 GLN A 39 11.304 23.209 8.515 1.00 0.00 O ATOM 631 NE2 GLN A 39 9.083 23.054 8.300 1.00 0.00 N ATOM 0 H GLN A 39 13.633 19.947 5.869 1.00 0.00 H new ATOM 0 HA GLN A 39 11.940 18.675 7.860 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.567 21.057 7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.967 21.336 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.661 20.846 7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.225 20.438 8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.276 22.474 8.071 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.951 24.029 8.570 1.00 0.00 H new ATOM 640 N PHE A 40 11.055 18.850 4.721 1.00 0.00 N ATOM 641 CA PHE A 40 10.061 18.445 3.740 1.00 0.00 C ATOM 642 C PHE A 40 10.540 17.458 2.677 1.00 0.00 C ATOM 643 O PHE A 40 9.822 17.184 1.715 1.00 0.00 O ATOM 644 CB PHE A 40 9.362 19.667 3.147 1.00 0.00 C ATOM 645 CG PHE A 40 8.466 20.402 4.119 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.726 21.747 4.419 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.381 19.749 4.725 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.901 22.445 5.310 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.562 20.441 5.628 1.00 0.00 C ATOM 650 CZ PHE A 40 6.823 21.791 5.917 1.00 0.00 C ATOM 0 H PHE A 40 11.921 19.196 4.309 1.00 0.00 H new ATOM 0 HA PHE A 40 9.329 17.859 4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.118 20.358 2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.767 19.351 2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.566 22.247 3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.177 18.714 4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.096 23.485 5.528 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.732 19.937 6.101 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.190 22.326 6.610 1.00 0.00 H new ATOM 660 N ASN A 41 11.755 16.928 2.854 1.00 0.00 N ATOM 661 CA ASN A 41 12.409 16.039 1.902 1.00 0.00 C ATOM 662 C ASN A 41 12.538 16.667 0.509 1.00 0.00 C ATOM 663 O ASN A 41 12.797 15.966 -0.469 1.00 0.00 O ATOM 664 CB ASN A 41 11.707 14.677 1.874 1.00 0.00 C ATOM 665 CG ASN A 41 11.682 14.016 3.245 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.493 14.320 4.117 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.743 13.100 3.453 1.00 0.00 N ATOM 0 H ASN A 41 12.319 17.113 3.683 1.00 0.00 H new ATOM 0 HA ASN A 41 13.432 15.876 2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.686 14.804 1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.215 14.022 1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.682 12.628 4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.083 12.868 2.710 1.00 0.00 H new ATOM 674 N CYS A 42 12.357 17.987 0.417 1.00 0.00 N ATOM 675 CA CYS A 42 12.430 18.736 -0.821 1.00 0.00 C ATOM 676 C CYS A 42 13.858 19.224 -1.071 1.00 0.00 C ATOM 677 O CYS A 42 14.764 18.951 -0.286 1.00 0.00 O ATOM 678 CB CYS A 42 11.461 19.917 -0.722 1.00 0.00 C ATOM 679 SG CYS A 42 11.986 21.027 0.610 1.00 0.00 S ATOM 0 H CYS A 42 12.151 18.571 1.227 1.00 0.00 H new ATOM 0 HA CYS A 42 12.152 18.099 -1.661 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.433 20.457 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.451 19.556 -0.531 1.00 0.00 H new ATOM 0 HG CYS A 42 12.029 22.248 0.166 1.00 0.00 H new ATOM 685 N VAL A 43 14.046 19.956 -2.171 1.00 0.00 N ATOM 686 CA VAL A 43 15.304 20.606 -2.507 1.00 0.00 C ATOM 687 C VAL A 43 14.969 22.041 -2.906 1.00 0.00 C ATOM 688 O VAL A 43 13.924 22.286 -3.509 1.00 0.00 O ATOM 689 CB VAL A 43 16.003 19.853 -3.644 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.235 20.611 -4.142 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.440 18.466 -3.173 1.00 0.00 C ATOM 0 H VAL A 43 13.312 20.113 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 43 15.991 20.604 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 43 15.287 19.763 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.707 20.049 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.934 21.592 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.943 20.733 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.935 17.943 -3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.131 18.567 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.566 17.898 -2.855 1.00 0.00 H new ATOM 701 N ILE A 44 15.848 22.992 -2.576 1.00 0.00 N ATOM 702 CA ILE A 44 15.615 24.400 -2.860 1.00 0.00 C ATOM 703 C ILE A 44 16.861 25.009 -3.496 1.00 0.00 C ATOM 704 O ILE A 44 17.985 24.678 -3.115 1.00 0.00 O ATOM 705 CB ILE A 44 15.204 25.136 -1.577 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.921 24.516 -1.008 1.00 0.00 C ATOM 707 CG2 ILE A 44 15.006 26.631 -1.855 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.497 25.170 0.306 1.00 0.00 C ATOM 0 H ILE A 44 16.734 22.803 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 44 14.795 24.503 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 44 16.000 25.032 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.117 24.616 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.075 23.449 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.715 27.137 -0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.938 27.059 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.224 26.762 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.584 24.698 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.288 25.048 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.315 26.232 0.142 1.00 0.00 H new ATOM 720 N THR A 45 16.658 25.906 -4.464 1.00 0.00 N ATOM 721 CA THR A 45 17.744 26.559 -5.175 1.00 0.00 C ATOM 722 C THR A 45 17.563 28.050 -5.417 1.00 0.00 C ATOM 723 O THR A 45 16.700 28.456 -6.194 1.00 0.00 O ATOM 724 CB THR A 45 18.112 25.816 -6.465 1.00 0.00 C ATOM 725 OG1 THR A 45 17.911 24.425 -6.333 1.00 0.00 O ATOM 726 CG2 THR A 45 19.564 26.099 -6.848 1.00 0.00 C ATOM 0 H THR A 45 15.730 26.196 -4.773 1.00 0.00 H new ATOM 0 HA THR A 45 18.587 26.497 -4.487 1.00 0.00 H new ATOM 0 HB THR A 45 17.456 26.181 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.153 23.979 -7.171 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.809 25.564 -7.766 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.697 27.169 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.223 25.766 -6.047 1.00 0.00 H new ATOM 734 N VAL A 46 18.379 28.871 -4.750 1.00 0.00 N ATOM 735 CA VAL A 46 18.383 30.310 -4.971 1.00 0.00 C ATOM 736 C VAL A 46 19.212 30.625 -6.214 1.00 0.00 C ATOM 737 O VAL A 46 20.195 29.935 -6.491 1.00 0.00 O ATOM 738 CB VAL A 46 18.893 31.053 -3.728 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.817 32.565 -3.937 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.052 30.683 -2.508 1.00 0.00 C ATOM 0 H VAL A 46 19.048 28.555 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 46 17.365 30.658 -5.143 1.00 0.00 H new ATOM 0 HB VAL A 46 19.930 30.760 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.183 33.074 -3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.431 32.845 -4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.783 32.855 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.425 31.217 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.012 30.958 -2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.118 29.609 -2.333 1.00 0.00 H new ATOM 750 N HIS A 47 18.826 31.661 -6.958 1.00 0.00 N ATOM 751 CA HIS A 47 19.483 32.035 -8.197 1.00 0.00 C ATOM 752 C HIS A 47 19.872 33.511 -8.177 1.00 0.00 C ATOM 753 O HIS A 47 19.348 34.310 -8.951 1.00 0.00 O ATOM 754 CB HIS A 47 18.566 31.672 -9.368 1.00 0.00 C ATOM 755 CG HIS A 47 18.536 30.190 -9.658 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.536 29.459 -10.275 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.502 29.336 -9.387 1.00 0.00 C ATOM 758 CE1 HIS A 47 19.115 28.184 -10.376 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.878 28.088 -9.847 1.00 0.00 N ATOM 0 H HIS A 47 18.042 32.265 -6.711 1.00 0.00 H new ATOM 0 HA HIS A 47 20.415 31.483 -8.316 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.554 32.014 -9.149 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.897 32.204 -10.260 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.433 29.822 -10.596 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.569 29.589 -8.905 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.677 27.370 -10.810 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.316 27.239 -9.795 1.00 0.00 H new ATOM 768 N THR A 48 20.802 33.874 -7.288 1.00 0.00 N ATOM 769 CA THR A 48 21.328 35.234 -7.213 1.00 0.00 C ATOM 770 C THR A 48 22.040 35.698 -8.481 1.00 0.00 C ATOM 771 O THR A 48 22.356 36.878 -8.630 1.00 0.00 O ATOM 772 CB THR A 48 22.182 35.463 -5.961 1.00 0.00 C ATOM 773 OG1 THR A 48 23.519 35.114 -6.237 1.00 0.00 O ATOM 774 CG2 THR A 48 21.701 34.645 -4.764 1.00 0.00 C ATOM 0 H THR A 48 21.207 33.234 -6.605 1.00 0.00 H new ATOM 0 HA THR A 48 20.447 35.869 -7.126 1.00 0.00 H new ATOM 0 HB THR A 48 22.095 36.518 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.067 35.261 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.341 34.846 -3.905 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.674 34.921 -4.523 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.743 33.584 -5.008 1.00 0.00 H new ATOM 782 N GLU A 49 22.287 34.758 -9.402 1.00 0.00 N ATOM 783 CA GLU A 49 22.811 35.038 -10.729 1.00 0.00 C ATOM 784 C GLU A 49 21.743 35.723 -11.593 1.00 0.00 C ATOM 785 O GLU A 49 21.993 36.035 -12.758 1.00 0.00 O ATOM 786 CB GLU A 49 23.284 33.725 -11.362 1.00 0.00 C ATOM 787 CG GLU A 49 22.128 32.735 -11.529 1.00 0.00 C ATOM 788 CD GLU A 49 22.609 31.308 -11.785 1.00 0.00 C ATOM 789 OE1 GLU A 49 23.810 31.130 -12.088 1.00 0.00 O ATOM 790 OE2 GLU A 49 21.757 30.397 -11.672 1.00 0.00 O ATOM 0 H GLU A 49 22.122 33.765 -9.235 1.00 0.00 H new ATOM 0 HA GLU A 49 23.657 35.721 -10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.733 33.929 -12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 49 24.060 33.279 -10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.509 32.750 -10.632 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.497 33.056 -12.358 1.00 0.00 H new ATOM 797 N VAL A 50 20.555 35.952 -11.017 1.00 0.00 N ATOM 798 CA VAL A 50 19.438 36.626 -11.662 1.00 0.00 C ATOM 799 C VAL A 50 18.881 37.741 -10.792 1.00 0.00 C ATOM 800 O VAL A 50 18.836 37.614 -9.570 1.00 0.00 O ATOM 801 CB VAL A 50 18.332 35.634 -12.042 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.375 36.254 -13.060 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.892 34.326 -12.603 1.00 0.00 C ATOM 0 H VAL A 50 20.346 35.662 -10.062 1.00 0.00 H new ATOM 0 HA VAL A 50 19.820 37.075 -12.579 1.00 0.00 H new ATOM 0 HB VAL A 50 17.792 35.403 -11.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.598 35.533 -13.315 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.916 37.145 -12.632 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.927 36.526 -13.959 1.00 0.00 H new ATOM 0 HG21 VAL A 50 18.070 33.657 -12.857 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.479 34.535 -13.497 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.527 33.852 -11.855 1.00 0.00 H new ATOM 813 N GLN A 51 18.454 38.839 -11.423 1.00 0.00 N ATOM 814 CA GLN A 51 17.845 39.953 -10.716 1.00 0.00 C ATOM 815 C GLN A 51 16.985 40.766 -11.677 1.00 0.00 C ATOM 816 O GLN A 51 17.492 41.326 -12.651 1.00 0.00 O ATOM 817 CB GLN A 51 18.948 40.818 -10.091 1.00 0.00 C ATOM 818 CG GLN A 51 18.356 42.052 -9.410 1.00 0.00 C ATOM 819 CD GLN A 51 19.414 42.857 -8.664 1.00 0.00 C ATOM 820 OE1 GLN A 51 20.581 42.476 -8.595 1.00 0.00 O ATOM 821 NE2 GLN A 51 19.017 43.992 -8.097 1.00 0.00 N ATOM 0 H GLN A 51 18.523 38.974 -12.432 1.00 0.00 H new ATOM 0 HA GLN A 51 17.201 39.582 -9.919 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.508 40.230 -9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.654 41.127 -10.862 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.880 42.685 -10.158 1.00 0.00 H new ATOM 0 HG3 GLN A 51 17.578 41.742 -8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.043 44.285 -8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.687 44.570 -7.589 1.00 0.00 H new ATOM 830 N SER A 52 15.681 40.834 -11.398 1.00 0.00 N ATOM 831 CA SER A 52 14.750 41.626 -12.189 1.00 0.00 C ATOM 832 C SER A 52 14.729 43.070 -11.689 1.00 0.00 C ATOM 833 O SER A 52 15.285 43.380 -10.636 1.00 0.00 O ATOM 834 CB SER A 52 13.356 41.004 -12.109 1.00 0.00 C ATOM 835 OG SER A 52 12.488 41.695 -12.981 1.00 0.00 O ATOM 0 H SER A 52 15.246 40.341 -10.618 1.00 0.00 H new ATOM 0 HA SER A 52 15.073 41.633 -13.230 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.399 39.949 -12.381 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.980 41.055 -11.087 1.00 0.00 H new ATOM 0 HG SER A 52 11.644 41.885 -12.520 1.00 0.00 H new ATOM 841 N SER A 53 14.083 43.960 -12.446 1.00 0.00 N ATOM 842 CA SER A 53 13.933 45.357 -12.064 1.00 0.00 C ATOM 843 C SER A 53 13.109 45.487 -10.782 1.00 0.00 C ATOM 844 O SER A 53 13.041 46.564 -10.189 1.00 0.00 O ATOM 845 CB SER A 53 13.276 46.118 -13.216 1.00 0.00 C ATOM 846 OG SER A 53 13.151 47.493 -12.907 1.00 0.00 O ATOM 0 H SER A 53 13.651 43.728 -13.340 1.00 0.00 H new ATOM 0 HA SER A 53 14.915 45.785 -11.862 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.870 45.997 -14.122 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.292 45.696 -13.421 1.00 0.00 H new ATOM 0 HG SER A 53 13.028 47.601 -11.941 1.00 0.00 H new ATOM 852 N PHE A 54 12.479 44.391 -10.344 1.00 0.00 N ATOM 853 CA PHE A 54 11.725 44.349 -9.101 1.00 0.00 C ATOM 854 C PHE A 54 12.592 44.467 -7.850 1.00 0.00 C ATOM 855 O PHE A 54 12.077 44.690 -6.756 1.00 0.00 O ATOM 856 CB PHE A 54 10.895 43.066 -9.042 1.00 0.00 C ATOM 857 CG PHE A 54 9.818 42.971 -10.095 1.00 0.00 C ATOM 858 CD1 PHE A 54 9.896 41.978 -11.080 1.00 0.00 C ATOM 859 CD2 PHE A 54 8.746 43.870 -10.087 1.00 0.00 C ATOM 860 CE1 PHE A 54 8.897 41.879 -12.059 1.00 0.00 C ATOM 861 CE2 PHE A 54 7.745 43.771 -11.066 1.00 0.00 C ATOM 862 CZ PHE A 54 7.819 42.775 -12.053 1.00 0.00 C ATOM 0 H PHE A 54 12.482 43.506 -10.851 1.00 0.00 H new ATOM 0 HA PHE A 54 11.076 45.224 -9.105 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.563 42.211 -9.145 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.432 42.992 -8.058 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.727 41.288 -11.085 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.689 44.638 -9.330 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.958 41.113 -12.817 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.916 44.463 -11.060 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.048 42.699 -12.805 1.00 0.00 H new ATOM 872 N GLY A 55 13.912 44.312 -8.004 1.00 0.00 N ATOM 873 CA GLY A 55 14.830 44.350 -6.878 1.00 0.00 C ATOM 874 C GLY A 55 14.775 43.040 -6.096 1.00 0.00 C ATOM 875 O GLY A 55 14.916 43.044 -4.873 1.00 0.00 O ATOM 0 H GLY A 55 14.363 44.159 -8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.845 44.524 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.575 45.182 -6.222 1.00 0.00 H new ATOM 879 N ALA A 56 14.561 41.925 -6.799 1.00 0.00 N ATOM 880 CA ALA A 56 14.376 40.624 -6.178 1.00 0.00 C ATOM 881 C ALA A 56 15.160 39.525 -6.891 1.00 0.00 C ATOM 882 O ALA A 56 15.564 39.683 -8.044 1.00 0.00 O ATOM 883 CB ALA A 56 12.884 40.304 -6.170 1.00 0.00 C ATOM 0 H ALA A 56 14.512 41.906 -7.818 1.00 0.00 H new ATOM 0 HA ALA A 56 14.762 40.663 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.723 39.330 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.351 41.067 -5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.510 40.285 -7.194 1.00 0.00 H new ATOM 889 N THR A 57 15.364 38.408 -6.188 1.00 0.00 N ATOM 890 CA THR A 57 16.110 37.256 -6.678 1.00 0.00 C ATOM 891 C THR A 57 15.108 36.104 -6.708 1.00 0.00 C ATOM 892 O THR A 57 14.353 35.917 -5.751 1.00 0.00 O ATOM 893 CB THR A 57 17.230 36.959 -5.678 1.00 0.00 C ATOM 894 OG1 THR A 57 18.300 37.856 -5.889 1.00 0.00 O ATOM 895 CG2 THR A 57 17.758 35.536 -5.814 1.00 0.00 C ATOM 0 H THR A 57 15.005 38.281 -5.242 1.00 0.00 H new ATOM 0 HA THR A 57 16.552 37.416 -7.661 1.00 0.00 H new ATOM 0 HB THR A 57 16.812 37.076 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.017 37.667 -5.248 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.551 35.371 -5.085 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.948 34.829 -5.636 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.153 35.389 -6.819 1.00 0.00 H new ATOM 903 N PRO A 58 15.083 35.321 -7.794 1.00 0.00 N ATOM 904 CA PRO A 58 14.200 34.175 -7.931 1.00 0.00 C ATOM 905 C PRO A 58 14.732 32.967 -7.166 1.00 0.00 C ATOM 906 O PRO A 58 15.933 32.853 -6.919 1.00 0.00 O ATOM 907 CB PRO A 58 14.148 33.903 -9.435 1.00 0.00 C ATOM 908 CG PRO A 58 15.539 34.327 -9.906 1.00 0.00 C ATOM 909 CD PRO A 58 15.896 35.492 -8.984 1.00 0.00 C ATOM 0 HA PRO A 58 13.211 34.369 -7.515 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.952 32.852 -9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.363 34.480 -9.923 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.257 33.512 -9.817 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.531 34.633 -10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.957 35.483 -8.736 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.689 36.448 -9.465 1.00 0.00 H new ATOM 917 N VAL A 59 13.824 32.062 -6.795 1.00 0.00 N ATOM 918 CA VAL A 59 14.138 30.826 -6.084 1.00 0.00 C ATOM 919 C VAL A 59 13.318 29.669 -6.638 1.00 0.00 C ATOM 920 O VAL A 59 12.178 29.870 -7.051 1.00 0.00 O ATOM 921 CB VAL A 59 13.931 30.983 -4.571 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.511 29.787 -3.815 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.568 32.264 -4.039 1.00 0.00 C ATOM 0 H VAL A 59 12.828 32.173 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 59 15.193 30.602 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 59 12.855 31.035 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.352 29.921 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.015 28.874 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.580 29.713 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.398 32.336 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.640 32.247 -4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.122 33.126 -4.535 1.00 0.00 H new ATOM 933 N GLU A 60 13.889 28.466 -6.651 1.00 0.00 N ATOM 934 CA GLU A 60 13.229 27.272 -7.159 1.00 0.00 C ATOM 935 C GLU A 60 13.093 26.217 -6.065 1.00 0.00 C ATOM 936 O GLU A 60 13.874 26.197 -5.115 1.00 0.00 O ATOM 937 CB GLU A 60 14.021 26.715 -8.345 1.00 0.00 C ATOM 938 CG GLU A 60 13.926 27.646 -9.553 1.00 0.00 C ATOM 939 CD GLU A 60 14.864 27.220 -10.684 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.697 27.762 -11.798 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.739 26.360 -10.437 1.00 0.00 O ATOM 0 H GLU A 60 14.833 28.294 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 60 12.226 27.539 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.066 26.587 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.640 25.729 -8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.900 27.659 -9.920 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.168 28.663 -9.246 1.00 0.00 H new ATOM 948 N ILE A 61 12.098 25.337 -6.208 1.00 0.00 N ATOM 949 CA ILE A 61 11.827 24.265 -5.261 1.00 0.00 C ATOM 950 C ILE A 61 11.523 22.982 -6.032 1.00 0.00 C ATOM 951 O ILE A 61 10.941 23.034 -7.114 1.00 0.00 O ATOM 952 CB ILE A 61 10.659 24.649 -4.338 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.925 26.000 -3.660 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.388 23.545 -3.308 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.758 26.434 -2.777 1.00 0.00 C ATOM 0 H ILE A 61 11.452 25.354 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 61 12.702 24.099 -4.633 1.00 0.00 H new ATOM 0 HB ILE A 61 9.761 24.755 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.830 25.931 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.106 26.759 -4.421 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.557 23.841 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.135 22.619 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.278 23.389 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.988 27.395 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.858 26.529 -3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.594 25.689 -1.999 1.00 0.00 H new ATOM 967 N VAL A 62 11.916 21.836 -5.465 1.00 0.00 N ATOM 968 CA VAL A 62 11.661 20.521 -6.040 1.00 0.00 C ATOM 969 C VAL A 62 11.268 19.546 -4.935 1.00 0.00 C ATOM 970 O VAL A 62 11.862 19.568 -3.859 1.00 0.00 O ATOM 971 CB VAL A 62 12.899 20.017 -6.795 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.626 18.654 -7.429 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.320 20.993 -7.890 1.00 0.00 C ATOM 0 H VAL A 62 12.426 21.801 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 62 10.839 20.595 -6.752 1.00 0.00 H new ATOM 0 HB VAL A 62 13.705 19.931 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.516 18.315 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.371 17.935 -6.650 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.796 18.739 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.199 20.605 -8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.505 21.112 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.557 21.959 -7.445 1.00 0.00 H new ATOM 983 N ALA A 63 10.274 18.691 -5.188 1.00 0.00 N ATOM 984 CA ALA A 63 9.824 17.714 -4.205 1.00 0.00 C ATOM 985 C ALA A 63 9.112 16.548 -4.889 1.00 0.00 C ATOM 986 O ALA A 63 8.790 16.610 -6.074 1.00 0.00 O ATOM 987 CB ALA A 63 8.888 18.391 -3.202 1.00 0.00 C ATOM 0 H ALA A 63 9.766 18.659 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 63 10.692 17.319 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.552 17.660 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.419 19.197 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.025 18.800 -3.728 1.00 0.00 H new ATOM 993 N GLN A 64 8.868 15.474 -4.131 1.00 0.00 N ATOM 994 CA GLN A 64 8.248 14.272 -4.658 1.00 0.00 C ATOM 995 C GLN A 64 6.764 14.491 -4.955 1.00 0.00 C ATOM 996 O GLN A 64 6.187 13.751 -5.756 1.00 0.00 O ATOM 997 CB GLN A 64 8.378 13.129 -3.645 1.00 0.00 C ATOM 998 CG GLN A 64 9.834 12.807 -3.298 1.00 0.00 C ATOM 999 CD GLN A 64 10.457 13.811 -2.332 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.760 14.556 -1.652 1.00 0.00 O ATOM 1001 NE2 GLN A 64 11.784 13.837 -2.263 1.00 0.00 N ATOM 0 H GLN A 64 9.097 15.422 -3.138 1.00 0.00 H new ATOM 0 HA GLN A 64 8.761 14.020 -5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.842 13.395 -2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.899 12.236 -4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.884 11.811 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.422 12.781 -4.215 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.337 13.205 -2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.249 14.489 -1.632 1.00 0.00 H new ATOM 1010 N ASN A 65 6.142 15.489 -4.322 1.00 0.00 N ATOM 1011 CA ASN A 65 4.714 15.723 -4.463 1.00 0.00 C ATOM 1012 C ASN A 65 4.344 17.151 -4.054 1.00 0.00 C ATOM 1013 O ASN A 65 5.155 17.859 -3.451 1.00 0.00 O ATOM 1014 CB ASN A 65 3.969 14.677 -3.626 1.00 0.00 C ATOM 1015 CG ASN A 65 4.379 14.709 -2.160 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.425 15.766 -1.540 1.00 0.00 O ATOM 1017 ND2 ASN A 65 4.680 13.545 -1.592 1.00 0.00 N ATOM 0 H ASN A 65 6.614 16.149 -3.704 1.00 0.00 H new ATOM 0 HA ASN A 65 4.422 15.620 -5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.896 14.850 -3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.162 13.685 -4.033 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.960 13.513 -0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.631 12.684 -2.137 1.00 0.00 H new ATOM 1024 N LYS A 66 3.117 17.579 -4.379 1.00 0.00 N ATOM 1025 CA LYS A 66 2.650 18.923 -4.062 1.00 0.00 C ATOM 1026 C LYS A 66 2.402 19.090 -2.565 1.00 0.00 C ATOM 1027 O LYS A 66 2.465 20.206 -2.052 1.00 0.00 O ATOM 1028 CB LYS A 66 1.364 19.210 -4.842 1.00 0.00 C ATOM 1029 CG LYS A 66 1.633 19.214 -6.350 1.00 0.00 C ATOM 1030 CD LYS A 66 0.343 19.405 -7.153 1.00 0.00 C ATOM 1031 CE LYS A 66 -0.326 20.742 -6.829 1.00 0.00 C ATOM 1032 NZ LYS A 66 -1.538 20.939 -7.642 1.00 0.00 N ATOM 0 H LYS A 66 2.429 17.004 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 66 3.425 19.633 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.613 18.457 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.956 20.174 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.335 20.012 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.106 18.275 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.566 19.357 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.347 18.590 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.585 20.776 -5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.375 21.557 -7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.972 21.853 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.285 20.930 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.214 20.173 -7.448 1.00 0.00 H new ATOM 1046 N GLU A 67 2.124 17.990 -1.866 1.00 0.00 N ATOM 1047 CA GLU A 67 1.873 17.995 -0.433 1.00 0.00 C ATOM 1048 C GLU A 67 3.139 18.305 0.370 1.00 0.00 C ATOM 1049 O GLU A 67 3.082 18.389 1.597 1.00 0.00 O ATOM 1050 CB GLU A 67 1.271 16.653 0.002 1.00 0.00 C ATOM 1051 CG GLU A 67 -0.147 16.455 -0.545 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.199 15.970 -1.997 1.00 0.00 C ATOM 1053 OE1 GLU A 67 0.876 15.692 -2.571 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -1.331 15.881 -2.524 1.00 0.00 O ATOM 0 H GLU A 67 2.067 17.063 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 67 1.158 18.791 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.910 15.840 -0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.250 16.601 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.670 15.736 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.688 17.398 -0.469 1.00 0.00 H new ATOM 1061 N GLN A 68 4.280 18.478 -0.310 1.00 0.00 N ATOM 1062 CA GLN A 68 5.537 18.834 0.331 1.00 0.00 C ATOM 1063 C GLN A 68 6.220 19.990 -0.394 1.00 0.00 C ATOM 1064 O GLN A 68 6.998 20.718 0.215 1.00 0.00 O ATOM 1065 CB GLN A 68 6.461 17.612 0.361 1.00 0.00 C ATOM 1066 CG GLN A 68 5.880 16.479 1.216 1.00 0.00 C ATOM 1067 CD GLN A 68 6.613 15.162 0.975 1.00 0.00 C ATOM 1068 OE1 GLN A 68 5.999 14.097 0.962 1.00 0.00 O ATOM 1069 NE2 GLN A 68 7.927 15.211 0.784 1.00 0.00 N ATOM 0 H GLN A 68 4.350 18.373 -1.322 1.00 0.00 H new ATOM 0 HA GLN A 68 5.325 19.158 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.623 17.254 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.435 17.902 0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.948 16.746 2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.822 16.355 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.412 16.108 0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.451 14.351 0.622 1.00 0.00 H new ATOM 1078 N CYS A 69 5.941 20.177 -1.689 1.00 0.00 N ATOM 1079 CA CYS A 69 6.547 21.268 -2.442 1.00 0.00 C ATOM 1080 C CYS A 69 5.903 22.589 -2.019 1.00 0.00 C ATOM 1081 O CYS A 69 6.578 23.612 -1.935 1.00 0.00 O ATOM 1082 CB CYS A 69 6.309 21.020 -3.930 1.00 0.00 C ATOM 1083 SG CYS A 69 7.458 22.041 -4.884 1.00 0.00 S ATOM 0 H CYS A 69 5.305 19.590 -2.229 1.00 0.00 H new ATOM 0 HA CYS A 69 7.618 21.319 -2.247 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.457 19.966 -4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.280 21.264 -4.193 1.00 0.00 H new ATOM 0 HG CYS A 69 7.267 21.838 -6.154 1.00 0.00 H new ATOM 1089 N GLN A 70 4.592 22.572 -1.752 1.00 0.00 N ATOM 1090 CA GLN A 70 3.870 23.767 -1.333 1.00 0.00 C ATOM 1091 C GLN A 70 4.195 24.131 0.110 1.00 0.00 C ATOM 1092 O GLN A 70 4.152 25.303 0.478 1.00 0.00 O ATOM 1093 CB GLN A 70 2.362 23.529 -1.452 1.00 0.00 C ATOM 1094 CG GLN A 70 1.915 23.287 -2.898 1.00 0.00 C ATOM 1095 CD GLN A 70 2.040 24.532 -3.776 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.310 25.631 -3.296 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.840 24.359 -5.080 1.00 0.00 N ATOM 0 H GLN A 70 4.012 21.736 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 70 4.178 24.587 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.084 22.670 -0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.829 24.391 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.513 22.484 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.879 22.949 -2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.618 23.432 -5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.909 25.153 -5.716 1.00 0.00 H new ATOM 1106 N GLU A 71 4.524 23.138 0.934 1.00 0.00 N ATOM 1107 CA GLU A 71 4.851 23.388 2.326 1.00 0.00 C ATOM 1108 C GLU A 71 6.231 24.026 2.434 1.00 0.00 C ATOM 1109 O GLU A 71 6.472 24.825 3.335 1.00 0.00 O ATOM 1110 CB GLU A 71 4.793 22.075 3.111 1.00 0.00 C ATOM 1111 CG GLU A 71 3.428 21.385 2.991 1.00 0.00 C ATOM 1112 CD GLU A 71 2.283 22.213 3.581 1.00 0.00 C ATOM 1113 OE1 GLU A 71 2.564 23.201 4.298 1.00 0.00 O ATOM 1114 OE2 GLU A 71 1.117 21.848 3.305 1.00 0.00 O ATOM 0 H GLU A 71 4.570 22.157 0.658 1.00 0.00 H new ATOM 0 HA GLU A 71 4.124 24.080 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.571 21.403 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.007 22.272 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.220 21.185 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.469 20.420 3.497 1.00 0.00 H new ATOM 1121 N ALA A 72 7.139 23.680 1.515 1.00 0.00 N ATOM 1122 CA ALA A 72 8.464 24.277 1.474 1.00 0.00 C ATOM 1123 C ALA A 72 8.408 25.680 0.865 1.00 0.00 C ATOM 1124 O ALA A 72 9.294 26.496 1.110 1.00 0.00 O ATOM 1125 CB ALA A 72 9.383 23.365 0.664 1.00 0.00 C ATOM 0 H ALA A 72 6.972 22.984 0.788 1.00 0.00 H new ATOM 0 HA ALA A 72 8.854 24.380 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.382 23.799 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.432 22.384 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.992 23.260 -0.348 1.00 0.00 H new ATOM 1131 N ARG A 73 7.368 25.962 0.071 1.00 0.00 N ATOM 1132 CA ARG A 73 7.134 27.273 -0.519 1.00 0.00 C ATOM 1133 C ARG A 73 6.608 28.242 0.531 1.00 0.00 C ATOM 1134 O ARG A 73 7.140 29.339 0.697 1.00 0.00 O ATOM 1135 CB ARG A 73 6.146 27.108 -1.679 1.00 0.00 C ATOM 1136 CG ARG A 73 5.480 28.416 -2.106 1.00 0.00 C ATOM 1137 CD ARG A 73 6.501 29.451 -2.577 1.00 0.00 C ATOM 1138 NE ARG A 73 5.829 30.705 -2.944 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.125 30.873 -4.065 1.00 0.00 C ATOM 1140 NH1 ARG A 73 5.020 29.881 -4.942 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.526 32.034 -4.319 1.00 0.00 N ATOM 0 H ARG A 73 6.659 25.272 -0.179 1.00 0.00 H new ATOM 0 HA ARG A 73 8.067 27.690 -0.899 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.670 26.681 -2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.374 26.395 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.770 28.216 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.911 28.823 -1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.228 29.639 -1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.053 29.063 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 73 5.905 31.495 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.478 28.988 -4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.481 30.012 -5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.603 32.804 -3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.990 32.154 -5.178 1.00 0.00 H new ATOM 1155 N ASN A 74 5.560 27.836 1.246 1.00 0.00 N ATOM 1156 CA ASN A 74 4.952 28.664 2.277 1.00 0.00 C ATOM 1157 C ASN A 74 5.856 28.802 3.502 1.00 0.00 C ATOM 1158 O ASN A 74 5.628 29.666 4.348 1.00 0.00 O ATOM 1159 CB ASN A 74 3.583 28.074 2.636 1.00 0.00 C ATOM 1160 CG ASN A 74 2.563 28.363 1.544 1.00 0.00 C ATOM 1161 OD1 ASN A 74 2.059 29.478 1.437 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.244 27.365 0.728 1.00 0.00 N ATOM 0 H ASN A 74 5.113 26.927 1.125 1.00 0.00 H new ATOM 0 HA ASN A 74 4.816 29.675 1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.673 26.997 2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.238 28.494 3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.561 27.512 -0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.682 26.451 0.845 1.00 0.00 H new ATOM 1169 N ALA A 75 6.889 27.958 3.604 1.00 0.00 N ATOM 1170 CA ALA A 75 7.858 28.022 4.688 1.00 0.00 C ATOM 1171 C ALA A 75 8.965 29.043 4.406 1.00 0.00 C ATOM 1172 O ALA A 75 9.843 29.234 5.243 1.00 0.00 O ATOM 1173 CB ALA A 75 8.457 26.634 4.908 1.00 0.00 C ATOM 0 H ALA A 75 7.071 27.212 2.932 1.00 0.00 H new ATOM 0 HA ALA A 75 7.342 28.351 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.184 26.676 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.664 25.932 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.951 26.302 3.995 1.00 0.00 H new ATOM 1179 N VAL A 76 8.937 29.701 3.239 1.00 0.00 N ATOM 1180 CA VAL A 76 9.963 30.669 2.854 1.00 0.00 C ATOM 1181 C VAL A 76 9.358 32.038 2.551 1.00 0.00 C ATOM 1182 O VAL A 76 10.083 33.022 2.447 1.00 0.00 O ATOM 1183 CB VAL A 76 10.744 30.109 1.653 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.818 31.071 1.153 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.441 28.807 2.050 1.00 0.00 C ATOM 0 H VAL A 76 8.204 29.575 2.541 1.00 0.00 H new ATOM 0 HA VAL A 76 10.650 30.820 3.687 1.00 0.00 H new ATOM 0 HB VAL A 76 10.016 29.949 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.339 30.626 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.353 32.007 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.531 31.268 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.993 28.415 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.132 29.000 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.696 28.077 2.367 1.00 0.00 H new ATOM 1195 N MET A 77 8.031 32.119 2.409 1.00 0.00 N ATOM 1196 CA MET A 77 7.366 33.378 2.098 1.00 0.00 C ATOM 1197 C MET A 77 6.942 34.153 3.346 1.00 0.00 C ATOM 1198 O MET A 77 6.376 35.237 3.226 1.00 0.00 O ATOM 1199 CB MET A 77 6.178 33.110 1.174 1.00 0.00 C ATOM 1200 CG MET A 77 6.683 32.560 -0.162 1.00 0.00 C ATOM 1201 SD MET A 77 7.679 33.738 -1.116 1.00 0.00 S ATOM 1202 CE MET A 77 8.730 32.579 -2.022 1.00 0.00 C ATOM 0 H MET A 77 7.400 31.324 2.506 1.00 0.00 H new ATOM 0 HA MET A 77 8.085 34.018 1.587 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.496 32.397 1.638 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.616 34.029 1.011 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.278 31.666 0.026 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.827 32.253 -0.763 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.460 33.134 -2.611 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.250 31.931 -1.316 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.114 31.972 -2.686 1.00 0.00 H new ATOM 1212 N SER A 78 7.202 33.617 4.543 1.00 0.00 N ATOM 1213 CA SER A 78 6.862 34.307 5.781 1.00 0.00 C ATOM 1214 C SER A 78 7.681 33.808 6.972 1.00 0.00 C ATOM 1215 O SER A 78 8.103 34.612 7.802 1.00 0.00 O ATOM 1216 CB SER A 78 5.369 34.113 6.060 1.00 0.00 C ATOM 1217 OG SER A 78 5.017 34.690 7.300 1.00 0.00 O ATOM 0 H SER A 78 7.646 32.708 4.676 1.00 0.00 H new ATOM 0 HA SER A 78 7.097 35.364 5.654 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.782 34.567 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.130 33.050 6.066 1.00 0.00 H new ATOM 0 HG SER A 78 4.059 34.558 7.462 1.00 0.00 H new ATOM 1223 N LEU A 79 7.913 32.493 7.064 1.00 0.00 N ATOM 1224 CA LEU A 79 8.639 31.915 8.190 1.00 0.00 C ATOM 1225 C LEU A 79 10.143 31.915 7.944 1.00 0.00 C ATOM 1226 O LEU A 79 10.921 32.219 8.848 1.00 0.00 O ATOM 1227 CB LEU A 79 8.144 30.484 8.423 1.00 0.00 C ATOM 1228 CG LEU A 79 6.624 30.400 8.586 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.231 28.945 8.829 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.145 31.242 9.773 1.00 0.00 C ATOM 0 H LEU A 79 7.606 31.812 6.369 1.00 0.00 H new ATOM 0 HA LEU A 79 8.451 32.524 9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.450 29.858 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.623 30.080 9.315 1.00 0.00 H new ATOM 0 HG LEU A 79 6.160 30.783 7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.150 28.875 8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.544 28.337 7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.718 28.583 9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.062 31.162 9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.613 30.879 10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.420 32.285 9.614 1.00 0.00 H new ATOM 1242 N MET A 80 10.543 31.568 6.717 1.00 0.00 N ATOM 1243 CA MET A 80 11.926 31.463 6.261 1.00 0.00 C ATOM 1244 C MET A 80 12.783 30.496 7.081 1.00 0.00 C ATOM 1245 O MET A 80 13.942 30.280 6.740 1.00 0.00 O ATOM 1246 CB MET A 80 12.560 32.855 6.175 1.00 0.00 C ATOM 1247 CG MET A 80 11.663 33.785 5.360 1.00 0.00 C ATOM 1248 SD MET A 80 12.439 35.345 4.872 1.00 0.00 S ATOM 1249 CE MET A 80 13.483 34.726 3.527 1.00 0.00 C ATOM 0 H MET A 80 9.875 31.342 5.980 1.00 0.00 H new ATOM 0 HA MET A 80 11.893 31.024 5.264 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.705 33.261 7.176 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.545 32.788 5.713 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.338 33.260 4.462 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.768 34.006 5.941 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.938 35.567 3.003 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.266 34.088 3.938 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.875 34.150 2.830 1.00 0.00 H new ATOM 1259 N GLN A 81 12.226 29.914 8.148 1.00 0.00 N ATOM 1260 CA GLN A 81 12.913 28.991 9.044 1.00 0.00 C ATOM 1261 C GLN A 81 14.265 29.513 9.535 1.00 0.00 C ATOM 1262 O GLN A 81 15.116 28.728 9.951 1.00 0.00 O ATOM 1263 CB GLN A 81 13.013 27.596 8.409 1.00 0.00 C ATOM 1264 CG GLN A 81 11.627 26.996 8.158 1.00 0.00 C ATOM 1265 CD GLN A 81 10.813 26.809 9.436 1.00 0.00 C ATOM 1266 OE1 GLN A 81 11.355 26.785 10.537 1.00 0.00 O ATOM 1267 NE2 GLN A 81 9.497 26.675 9.303 1.00 0.00 N ATOM 0 H GLN A 81 11.256 30.080 8.416 1.00 0.00 H new ATOM 0 HA GLN A 81 12.305 28.907 9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.559 27.661 7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 81 13.584 26.937 9.063 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.076 27.643 7.475 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.740 26.032 7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.073 26.699 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.911 26.548 10.128 1.00 0.00 H new