USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=18 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 19 THR OG1 : rot 75:sc= 0.929 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0638) USER MOD Single : A 15 GLN : amide:sc= -0.83 X(o=-0.83,f=-1.1) USER MOD Single : A 20 THR OG1 : rot -40:sc= 0.136 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0.9 (180deg=0.823) USER MOD Single : A 28 ASN : amide:sc= -1.11! C(o=-1.1!,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 1.16 (180deg=1.13) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= 0.825 (180deg=0.561) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.0591 F(o=-0.61,f=-0.059) USER MOD Single : A 39 GLN : amide:sc= 0.0541 K(o=0.054,f=-1.1) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.58 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : +bothHN:sc= 1.74 K(o=1.7,f=-5.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 52 SER OG : rot 165:sc= 2.24 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.3) USER MOD Single : A 65 ASN : amide:sc= -0.154 K(o=-0.15,f=-3.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.197 X(o=0.2,f=-0.1) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.656 USER MOD Single : A 70 GLN : amide:sc= -0.48 K(o=-0.48,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= 0.775 K(o=0.77,f=0) USER MOD Single : A 77 MET CE :methyl -171:sc= -0.0263 (180deg=-0.0969) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -179:sc= -0.0363 (180deg=-0.0379) USER MOD Single : A 81 GLN : amide:sc= -0.585 K(o=-0.58,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 10 9.217 14.785 -10.873 1.00 0.00 N ATOM 129 CA VAL A 10 9.203 15.608 -9.666 1.00 0.00 C ATOM 130 C VAL A 10 8.477 16.918 -9.941 1.00 0.00 C ATOM 131 O VAL A 10 8.429 17.399 -11.074 1.00 0.00 O ATOM 132 CB VAL A 10 10.632 15.877 -9.171 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.343 14.575 -8.808 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.464 16.609 -10.225 1.00 0.00 C ATOM 0 HA VAL A 10 8.673 15.067 -8.882 1.00 0.00 H new ATOM 0 HB VAL A 10 10.541 16.506 -8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.352 14.796 -8.461 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.791 14.067 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.394 13.931 -9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.469 16.782 -9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.522 16.002 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.995 17.565 -10.459 1.00 0.00 H new ATOM 144 N GLU A 11 7.908 17.495 -8.884 1.00 0.00 N ATOM 145 CA GLU A 11 7.189 18.757 -8.940 1.00 0.00 C ATOM 146 C GLU A 11 8.139 19.937 -8.795 1.00 0.00 C ATOM 147 O GLU A 11 9.256 19.787 -8.302 1.00 0.00 O ATOM 148 CB GLU A 11 6.131 18.777 -7.833 1.00 0.00 C ATOM 149 CG GLU A 11 5.012 17.779 -8.137 1.00 0.00 C ATOM 150 CD GLU A 11 4.190 18.166 -9.369 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.389 17.313 -9.813 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.361 19.303 -9.863 1.00 0.00 O ATOM 0 H GLU A 11 7.937 17.087 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 11 6.703 18.847 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.593 18.532 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.715 19.780 -7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.445 16.791 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.351 17.707 -7.273 1.00 0.00 H new ATOM 159 N LYS A 12 7.689 21.116 -9.228 1.00 0.00 N ATOM 160 CA LYS A 12 8.476 22.339 -9.167 1.00 0.00 C ATOM 161 C LYS A 12 7.629 23.560 -8.829 1.00 0.00 C ATOM 162 O LYS A 12 6.440 23.615 -9.136 1.00 0.00 O ATOM 163 CB LYS A 12 9.229 22.563 -10.484 1.00 0.00 C ATOM 164 CG LYS A 12 10.545 21.791 -10.501 1.00 0.00 C ATOM 165 CD LYS A 12 11.321 22.077 -11.786 1.00 0.00 C ATOM 166 CE LYS A 12 12.716 21.463 -11.692 1.00 0.00 C ATOM 167 NZ LYS A 12 13.488 21.704 -12.926 1.00 0.00 N ATOM 0 H LYS A 12 6.762 21.245 -9.633 1.00 0.00 H new ATOM 0 HA LYS A 12 9.196 22.212 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.607 22.246 -11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.426 23.627 -10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.147 22.070 -9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.347 20.722 -10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.789 21.665 -12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.397 23.153 -11.945 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.246 21.887 -10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.633 20.391 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.431 21.276 -12.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.992 21.278 -13.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.586 22.728 -13.080 1.00 0.00 H new ATOM 181 N ILE A 13 8.274 24.536 -8.191 1.00 0.00 N ATOM 182 CA ILE A 13 7.698 25.824 -7.839 1.00 0.00 C ATOM 183 C ILE A 13 8.790 26.879 -7.997 1.00 0.00 C ATOM 184 O ILE A 13 9.967 26.580 -7.795 1.00 0.00 O ATOM 185 CB ILE A 13 7.149 25.799 -6.401 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.913 24.893 -6.327 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.804 27.214 -5.921 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.326 24.845 -4.915 1.00 0.00 C ATOM 0 H ILE A 13 9.246 24.444 -7.897 1.00 0.00 H new ATOM 0 HA ILE A 13 6.859 26.059 -8.494 1.00 0.00 H new ATOM 0 HB ILE A 13 7.922 25.399 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.156 25.254 -7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.182 23.885 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.418 27.169 -4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.700 27.834 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.048 27.646 -6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.453 24.193 -4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.074 24.459 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.032 25.849 -4.609 1.00 0.00 H new ATOM 200 N LYS A 14 8.405 28.106 -8.357 1.00 0.00 N ATOM 201 CA LYS A 14 9.343 29.206 -8.505 1.00 0.00 C ATOM 202 C LYS A 14 8.681 30.502 -8.055 1.00 0.00 C ATOM 203 O LYS A 14 7.558 30.796 -8.461 1.00 0.00 O ATOM 204 CB LYS A 14 9.840 29.251 -9.956 1.00 0.00 C ATOM 205 CG LYS A 14 10.873 30.356 -10.229 1.00 0.00 C ATOM 206 CD LYS A 14 10.270 31.745 -10.484 1.00 0.00 C ATOM 207 CE LYS A 14 9.260 31.746 -11.633 1.00 0.00 C ATOM 208 NZ LYS A 14 9.885 31.313 -12.898 1.00 0.00 N ATOM 0 H LYS A 14 7.436 28.358 -8.552 1.00 0.00 H new ATOM 0 HA LYS A 14 10.218 29.064 -7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.280 28.286 -10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.986 29.395 -10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.551 30.419 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.472 30.070 -11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.782 32.097 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.071 32.449 -10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.429 31.083 -11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.845 32.747 -11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.216 31.453 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.743 31.875 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.137 30.306 -12.834 1.00 0.00 H new ATOM 222 N GLN A 15 9.381 31.272 -7.217 1.00 0.00 N ATOM 223 CA GLN A 15 8.879 32.536 -6.708 1.00 0.00 C ATOM 224 C GLN A 15 10.030 33.467 -6.327 1.00 0.00 C ATOM 225 O GLN A 15 11.098 33.015 -5.917 1.00 0.00 O ATOM 226 CB GLN A 15 7.945 32.274 -5.523 1.00 0.00 C ATOM 227 CG GLN A 15 7.466 33.575 -4.867 1.00 0.00 C ATOM 228 CD GLN A 15 6.752 34.491 -5.855 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.042 34.031 -6.746 1.00 0.00 O ATOM 230 NE2 GLN A 15 6.936 35.799 -5.707 1.00 0.00 N ATOM 0 H GLN A 15 10.312 31.030 -6.877 1.00 0.00 H new ATOM 0 HA GLN A 15 8.311 33.039 -7.490 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.082 31.700 -5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.462 31.664 -4.782 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.793 33.338 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.320 34.100 -4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.532 36.148 -4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.481 36.453 -6.344 1.00 0.00 H new ATOM 239 N TRP A 16 9.804 34.775 -6.468 1.00 0.00 N ATOM 240 CA TRP A 16 10.790 35.801 -6.181 1.00 0.00 C ATOM 241 C TRP A 16 10.714 36.253 -4.728 1.00 0.00 C ATOM 242 O TRP A 16 9.642 36.233 -4.119 1.00 0.00 O ATOM 243 CB TRP A 16 10.544 36.993 -7.109 1.00 0.00 C ATOM 244 CG TRP A 16 10.540 36.684 -8.570 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.515 36.124 -9.252 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.617 36.847 -9.547 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.875 35.938 -10.567 1.00 0.00 N ATOM 248 CE2 TRP A 16 11.162 36.368 -10.808 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.922 37.373 -9.501 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.961 36.400 -11.955 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.731 37.417 -10.648 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.255 36.929 -11.873 1.00 0.00 C ATOM 0 H TRP A 16 8.912 35.150 -6.791 1.00 0.00 H new ATOM 0 HA TRP A 16 11.785 35.389 -6.348 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.585 37.442 -6.848 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.310 37.744 -6.917 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.557 35.862 -8.828 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.265 35.532 -11.276 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.308 37.750 -8.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.584 36.021 -12.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.727 37.830 -10.586 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.884 36.961 -12.750 1.00 0.00 H new ATOM 263 N ILE A 17 11.859 36.668 -4.182 1.00 0.00 N ATOM 264 CA ILE A 17 11.952 37.333 -2.887 1.00 0.00 C ATOM 265 C ILE A 17 12.900 38.514 -3.089 1.00 0.00 C ATOM 266 O ILE A 17 13.859 38.403 -3.852 1.00 0.00 O ATOM 267 CB ILE A 17 12.451 36.378 -1.786 1.00 0.00 C ATOM 268 CG1 ILE A 17 13.966 36.144 -1.886 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.684 35.057 -1.788 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.459 35.163 -0.821 1.00 0.00 C ATOM 0 H ILE A 17 12.763 36.547 -4.639 1.00 0.00 H new ATOM 0 HA ILE A 17 10.973 37.670 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 17 12.255 36.864 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.210 35.759 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.489 37.094 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.067 34.413 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.625 35.251 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.812 34.563 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.535 35.024 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.238 35.560 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.955 34.205 -0.948 1.00 0.00 H new ATOM 282 N PRO A 18 12.657 39.647 -2.422 1.00 0.00 N ATOM 283 CA PRO A 18 13.502 40.819 -2.547 1.00 0.00 C ATOM 284 C PRO A 18 14.899 40.508 -2.023 1.00 0.00 C ATOM 285 O PRO A 18 15.053 39.757 -1.061 1.00 0.00 O ATOM 286 CB PRO A 18 12.805 41.911 -1.734 1.00 0.00 C ATOM 287 CG PRO A 18 11.980 41.131 -0.715 1.00 0.00 C ATOM 288 CD PRO A 18 11.570 39.884 -1.494 1.00 0.00 C ATOM 0 HA PRO A 18 13.633 41.140 -3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.525 42.569 -1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.174 42.539 -2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.563 40.881 0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.114 41.699 -0.376 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.426 39.033 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.628 40.039 -2.021 1.00 0.00 H new ATOM 296 N THR A 19 15.924 41.090 -2.649 1.00 0.00 N ATOM 297 CA THR A 19 17.305 40.838 -2.258 1.00 0.00 C ATOM 298 C THR A 19 17.664 41.271 -0.837 1.00 0.00 C ATOM 299 O THR A 19 18.733 40.929 -0.335 1.00 0.00 O ATOM 300 CB THR A 19 18.310 41.303 -3.318 1.00 0.00 C ATOM 301 OG1 THR A 19 17.735 41.240 -4.607 1.00 0.00 O ATOM 302 CG2 THR A 19 19.563 40.432 -3.311 1.00 0.00 C ATOM 0 H THR A 19 15.820 41.739 -3.429 1.00 0.00 H new ATOM 0 HA THR A 19 17.387 39.752 -2.215 1.00 0.00 H new ATOM 0 HB THR A 19 18.580 42.331 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.100 41.978 -4.718 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.257 40.786 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.040 40.488 -2.332 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.289 39.398 -3.522 1.00 0.00 H new ATOM 310 N THR A 20 16.766 42.022 -0.189 1.00 0.00 N ATOM 311 CA THR A 20 16.936 42.446 1.192 1.00 0.00 C ATOM 312 C THR A 20 16.736 41.334 2.222 1.00 0.00 C ATOM 313 O THR A 20 16.995 41.532 3.409 1.00 0.00 O ATOM 314 CB THR A 20 16.081 43.686 1.480 1.00 0.00 C ATOM 315 OG1 THR A 20 16.606 44.362 2.599 1.00 0.00 O ATOM 316 CG2 THR A 20 14.631 43.300 1.777 1.00 0.00 C ATOM 0 H THR A 20 15.900 42.350 -0.616 1.00 0.00 H new ATOM 0 HA THR A 20 17.985 42.720 1.306 1.00 0.00 H new ATOM 0 HB THR A 20 16.101 44.326 0.598 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.888 43.709 3.273 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.049 44.199 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.210 42.779 0.917 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.600 42.646 2.648 1.00 0.00 H new ATOM 324 N GLU A 21 16.277 40.152 1.784 1.00 0.00 N ATOM 325 CA GLU A 21 16.070 39.028 2.684 1.00 0.00 C ATOM 326 C GLU A 21 16.600 37.715 2.113 1.00 0.00 C ATOM 327 O GLU A 21 16.356 36.657 2.688 1.00 0.00 O ATOM 328 CB GLU A 21 14.599 38.930 3.093 1.00 0.00 C ATOM 329 CG GLU A 21 13.657 38.603 1.936 1.00 0.00 C ATOM 330 CD GLU A 21 12.213 38.492 2.431 1.00 0.00 C ATOM 331 OE1 GLU A 21 11.325 38.296 1.573 1.00 0.00 O ATOM 332 OE2 GLU A 21 12.003 38.604 3.661 1.00 0.00 O ATOM 0 H GLU A 21 16.045 39.958 0.810 1.00 0.00 H new ATOM 0 HA GLU A 21 16.656 39.216 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.496 38.163 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.293 39.875 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.727 39.378 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.959 37.666 1.467 1.00 0.00 H new ATOM 339 N VAL A 22 17.325 37.755 0.991 1.00 0.00 N ATOM 340 CA VAL A 22 17.996 36.561 0.491 1.00 0.00 C ATOM 341 C VAL A 22 19.047 36.149 1.524 1.00 0.00 C ATOM 342 O VAL A 22 19.438 34.984 1.587 1.00 0.00 O ATOM 343 CB VAL A 22 18.656 36.886 -0.856 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.601 35.769 -1.302 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.585 37.058 -1.931 1.00 0.00 C ATOM 0 H VAL A 22 17.459 38.591 0.422 1.00 0.00 H new ATOM 0 HA VAL A 22 17.291 35.743 0.340 1.00 0.00 H new ATOM 0 HB VAL A 22 19.226 37.806 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.050 36.033 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.386 35.637 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.041 34.840 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.060 37.289 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.012 36.135 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.917 37.873 -1.652 1.00 0.00 H new ATOM 355 N GLY A 23 19.502 37.104 2.342 1.00 0.00 N ATOM 356 CA GLY A 23 20.490 36.857 3.382 1.00 0.00 C ATOM 357 C GLY A 23 19.928 36.005 4.521 1.00 0.00 C ATOM 358 O GLY A 23 20.685 35.554 5.376 1.00 0.00 O ATOM 0 H GLY A 23 19.189 38.074 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.355 36.355 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.841 37.809 3.781 1.00 0.00 H new ATOM 362 N LYS A 24 18.609 35.781 4.552 1.00 0.00 N ATOM 363 CA LYS A 24 18.006 34.896 5.540 1.00 0.00 C ATOM 364 C LYS A 24 18.187 33.441 5.123 1.00 0.00 C ATOM 365 O LYS A 24 18.266 32.559 5.977 1.00 0.00 O ATOM 366 CB LYS A 24 16.513 35.202 5.683 1.00 0.00 C ATOM 367 CG LYS A 24 16.263 36.643 6.137 1.00 0.00 C ATOM 368 CD LYS A 24 14.753 36.870 6.230 1.00 0.00 C ATOM 369 CE LYS A 24 14.450 38.338 6.534 1.00 0.00 C ATOM 370 NZ LYS A 24 13.010 38.621 6.388 1.00 0.00 N ATOM 0 H LYS A 24 17.945 36.202 3.903 1.00 0.00 H new ATOM 0 HA LYS A 24 18.500 35.060 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.015 35.031 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.069 34.513 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.733 36.822 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.708 37.345 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.277 36.581 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.331 36.236 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.770 38.577 7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.020 38.978 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.803 39.570 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.748 38.578 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.462 37.914 6.919 1.00 0.00 H new ATOM 384 N ILE A 25 18.250 33.187 3.809 1.00 0.00 N ATOM 385 CA ILE A 25 18.378 31.838 3.270 1.00 0.00 C ATOM 386 C ILE A 25 19.848 31.462 3.086 1.00 0.00 C ATOM 387 O ILE A 25 20.220 30.300 3.255 1.00 0.00 O ATOM 388 CB ILE A 25 17.640 31.756 1.924 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.199 32.270 2.051 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.662 30.314 1.409 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.459 32.189 0.716 1.00 0.00 C ATOM 0 H ILE A 25 18.213 33.915 3.095 1.00 0.00 H new ATOM 0 HA ILE A 25 17.935 31.134 3.975 1.00 0.00 H new ATOM 0 HB ILE A 25 18.153 32.395 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.667 31.684 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.209 33.302 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 25 17.138 30.260 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.694 29.991 1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 25 17.169 29.662 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.442 32.560 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.979 32.796 -0.025 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.428 31.153 0.379 1.00 0.00 H new ATOM 403 N LEU A 26 20.682 32.447 2.741 1.00 0.00 N ATOM 404 CA LEU A 26 22.087 32.240 2.407 1.00 0.00 C ATOM 405 C LEU A 26 23.021 32.975 3.379 1.00 0.00 C ATOM 406 O LEU A 26 24.163 33.271 3.034 1.00 0.00 O ATOM 407 CB LEU A 26 22.341 32.687 0.964 1.00 0.00 C ATOM 408 CG LEU A 26 21.354 32.081 -0.036 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.690 32.633 -1.420 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.471 30.557 -0.066 1.00 0.00 C ATOM 0 H LEU A 26 20.392 33.423 2.686 1.00 0.00 H new ATOM 0 HA LEU A 26 22.307 31.177 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.281 33.774 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.355 32.410 0.677 1.00 0.00 H new ATOM 0 HG LEU A 26 20.337 32.340 0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.001 32.217 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.598 33.719 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.711 32.357 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.759 30.151 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.482 30.275 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 26 21.255 30.156 0.924 1.00 0.00 H new ATOM 422 N GLY A 27 22.540 33.272 4.591 1.00 0.00 N ATOM 423 CA GLY A 27 23.299 34.021 5.588 1.00 0.00 C ATOM 424 C GLY A 27 24.434 33.209 6.212 1.00 0.00 C ATOM 425 O GLY A 27 25.136 33.701 7.095 1.00 0.00 O ATOM 0 H GLY A 27 21.609 32.997 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.713 34.916 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 27 22.623 34.354 6.376 1.00 0.00 H new ATOM 429 N ASN A 28 24.612 31.967 5.762 1.00 0.00 N ATOM 430 CA ASN A 28 25.618 31.050 6.267 1.00 0.00 C ATOM 431 C ASN A 28 25.912 30.055 5.142 1.00 0.00 C ATOM 432 O ASN A 28 25.710 30.375 3.971 1.00 0.00 O ATOM 433 CB ASN A 28 25.036 30.370 7.513 1.00 0.00 C ATOM 434 CG ASN A 28 26.098 29.692 8.370 1.00 0.00 C ATOM 435 OD1 ASN A 28 27.283 29.721 8.051 1.00 0.00 O ATOM 436 ND2 ASN A 28 25.682 29.073 9.470 1.00 0.00 N ATOM 0 H ASN A 28 24.043 31.566 5.017 1.00 0.00 H new ATOM 0 HA ASN A 28 26.549 31.539 6.553 1.00 0.00 H new ATOM 0 HB2 ASN A 28 24.511 31.113 8.114 1.00 0.00 H new ATOM 0 HB3 ASN A 28 24.298 29.629 7.205 1.00 0.00 H new ATOM 0 HD21 ASN A 28 26.355 28.604 10.077 1.00 0.00 H new ATOM 0 HD22 ASN A 28 24.690 29.067 9.708 1.00 0.00 H new ATOM 443 N ARG A 29 26.384 28.851 5.480 1.00 0.00 N ATOM 444 CA ARG A 29 26.577 27.763 4.526 1.00 0.00 C ATOM 445 C ARG A 29 25.225 27.214 4.047 1.00 0.00 C ATOM 446 O ARG A 29 25.081 26.012 3.836 1.00 0.00 O ATOM 447 CB ARG A 29 27.441 26.659 5.156 1.00 0.00 C ATOM 448 CG ARG A 29 28.786 27.186 5.668 1.00 0.00 C ATOM 449 CD ARG A 29 29.604 27.830 4.548 1.00 0.00 C ATOM 450 NE ARG A 29 30.910 28.283 5.043 1.00 0.00 N ATOM 451 CZ ARG A 29 32.055 27.608 4.895 1.00 0.00 C ATOM 452 NH1 ARG A 29 32.081 26.435 4.271 1.00 0.00 N ATOM 453 NH2 ARG A 29 33.187 28.113 5.376 1.00 0.00 N ATOM 0 H ARG A 29 26.645 28.605 6.435 1.00 0.00 H new ATOM 0 HA ARG A 29 27.101 28.148 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.895 26.202 5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.618 25.876 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 29 28.614 27.916 6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 29 29.354 26.367 6.109 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.746 27.114 3.739 1.00 0.00 H new ATOM 0 HD3 ARG A 29 29.056 28.675 4.132 1.00 0.00 H new ATOM 0 HE ARG A 29 30.947 29.176 5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.220 26.037 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.962 25.933 4.166 1.00 0.00 H new ATOM 0 HH21 ARG A 29 33.181 29.013 5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 29 34.062 27.601 5.265 1.00 0.00 H new ATOM 467 N ALA A 30 24.240 28.101 3.881 1.00 0.00 N ATOM 468 CA ALA A 30 22.873 27.766 3.512 1.00 0.00 C ATOM 469 C ALA A 30 22.242 26.756 4.473 1.00 0.00 C ATOM 470 O ALA A 30 21.331 26.022 4.095 1.00 0.00 O ATOM 471 CB ALA A 30 22.815 27.333 2.046 1.00 0.00 C ATOM 0 H ALA A 30 24.383 29.103 4.005 1.00 0.00 H new ATOM 0 HA ALA A 30 22.259 28.661 3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.787 27.085 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.167 28.147 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.449 26.459 1.900 1.00 0.00 H new ATOM 477 N ALA A 31 22.720 26.711 5.719 1.00 0.00 N ATOM 478 CA ALA A 31 22.208 25.783 6.714 1.00 0.00 C ATOM 479 C ALA A 31 20.728 26.047 7.002 1.00 0.00 C ATOM 480 O ALA A 31 20.012 25.142 7.428 1.00 0.00 O ATOM 481 CB ALA A 31 23.035 25.937 7.991 1.00 0.00 C ATOM 0 H ALA A 31 23.468 27.315 6.059 1.00 0.00 H new ATOM 0 HA ALA A 31 22.291 24.764 6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.665 25.248 8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 31 24.080 25.714 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.951 26.960 8.358 1.00 0.00 H new ATOM 487 N VAL A 32 20.268 27.281 6.771 1.00 0.00 N ATOM 488 CA VAL A 32 18.869 27.632 6.959 1.00 0.00 C ATOM 489 C VAL A 32 18.027 27.025 5.842 1.00 0.00 C ATOM 490 O VAL A 32 16.904 26.581 6.075 1.00 0.00 O ATOM 491 CB VAL A 32 18.715 29.158 6.980 1.00 0.00 C ATOM 492 CG1 VAL A 32 17.251 29.539 7.175 1.00 0.00 C ATOM 493 CG2 VAL A 32 19.544 29.761 8.113 1.00 0.00 C ATOM 0 H VAL A 32 20.853 28.053 6.452 1.00 0.00 H new ATOM 0 HA VAL A 32 18.522 27.233 7.912 1.00 0.00 H new ATOM 0 HB VAL A 32 19.068 29.549 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.156 30.625 7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.657 29.133 6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.892 29.132 8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.424 30.844 8.115 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.205 29.357 9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.595 29.512 7.967 1.00 0.00 H new ATOM 503 N LYS A 33 18.570 27.001 4.621 1.00 0.00 N ATOM 504 CA LYS A 33 17.880 26.426 3.476 1.00 0.00 C ATOM 505 C LYS A 33 17.834 24.910 3.620 1.00 0.00 C ATOM 506 O LYS A 33 16.815 24.286 3.339 1.00 0.00 O ATOM 507 CB LYS A 33 18.613 26.830 2.196 1.00 0.00 C ATOM 508 CG LYS A 33 17.837 26.385 0.954 1.00 0.00 C ATOM 509 CD LYS A 33 18.546 26.875 -0.316 1.00 0.00 C ATOM 510 CE LYS A 33 19.901 26.194 -0.518 1.00 0.00 C ATOM 511 NZ LYS A 33 19.744 24.752 -0.803 1.00 0.00 N ATOM 0 H LYS A 33 19.493 27.378 4.405 1.00 0.00 H new ATOM 0 HA LYS A 33 16.857 26.798 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.748 27.911 2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.608 26.384 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.755 25.298 0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.822 26.781 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.912 26.683 -1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.688 27.954 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.431 26.673 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.512 26.325 0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.679 24.327 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.290 24.285 0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.153 24.628 -1.650 1.00 0.00 H new ATOM 525 N LYS A 34 18.950 24.322 4.066 1.00 0.00 N ATOM 526 CA LYS A 34 19.088 22.881 4.242 1.00 0.00 C ATOM 527 C LYS A 34 18.191 22.354 5.358 1.00 0.00 C ATOM 528 O LYS A 34 17.855 21.170 5.365 1.00 0.00 O ATOM 529 CB LYS A 34 20.554 22.555 4.520 1.00 0.00 C ATOM 530 CG LYS A 34 21.417 22.868 3.291 1.00 0.00 C ATOM 531 CD LYS A 34 22.898 22.836 3.665 1.00 0.00 C ATOM 532 CE LYS A 34 23.739 23.168 2.432 1.00 0.00 C ATOM 533 NZ LYS A 34 25.167 23.300 2.786 1.00 0.00 N ATOM 0 H LYS A 34 19.790 24.844 4.316 1.00 0.00 H new ATOM 0 HA LYS A 34 18.768 22.385 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.905 23.133 5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.655 21.502 4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.218 22.142 2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.156 23.849 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.099 23.554 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.167 21.852 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.617 22.386 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.384 24.096 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.749 23.170 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.340 24.246 3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.418 22.578 3.491 1.00 0.00 H new ATOM 547 N HIS A 35 17.794 23.216 6.299 1.00 0.00 N ATOM 548 CA HIS A 35 16.894 22.818 7.369 1.00 0.00 C ATOM 549 C HIS A 35 15.477 22.638 6.829 1.00 0.00 C ATOM 550 O HIS A 35 14.760 21.740 7.260 1.00 0.00 O ATOM 551 CB HIS A 35 16.897 23.879 8.469 1.00 0.00 C ATOM 552 CG HIS A 35 15.975 23.528 9.606 1.00 0.00 C ATOM 553 ND1 HIS A 35 14.707 24.006 9.797 1.00 0.00 N flip ATOM 554 CD2 HIS A 35 16.264 22.664 10.649 1.00 0.00 C flip ATOM 555 CE1 HIS A 35 14.232 23.425 10.957 1.00 0.00 C flip ATOM 556 NE2 HIS A 35 15.185 22.612 11.456 1.00 0.00 N flip ATOM 0 H HIS A 35 18.086 24.193 6.336 1.00 0.00 H new ATOM 0 HA HIS A 35 17.237 21.869 7.782 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.911 24.000 8.851 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.599 24.838 8.046 1.00 0.00 H new ATOM 0 HD2 HIS A 35 17.190 22.127 10.791 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.258 23.594 11.392 1.00 0.00 H new ATOM 0 HE2 HIS A 35 15.103 22.051 12.304 1.00 0.00 H new ATOM 565 N ILE A 36 15.071 23.487 5.880 1.00 0.00 N ATOM 566 CA ILE A 36 13.747 23.406 5.287 1.00 0.00 C ATOM 567 C ILE A 36 13.666 22.204 4.347 1.00 0.00 C ATOM 568 O ILE A 36 12.589 21.648 4.132 1.00 0.00 O ATOM 569 CB ILE A 36 13.431 24.732 4.573 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.409 25.868 5.607 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.081 24.653 3.850 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.212 27.241 4.967 1.00 0.00 C ATOM 0 H ILE A 36 15.650 24.240 5.509 1.00 0.00 H new ATOM 0 HA ILE A 36 12.994 23.255 6.061 1.00 0.00 H new ATOM 0 HB ILE A 36 14.203 24.927 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.608 25.687 6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.344 25.863 6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.879 25.602 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.111 23.854 3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.292 24.447 4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.204 28.006 5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.027 27.438 4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.264 27.259 4.430 1.00 0.00 H new ATOM 584 N GLU A 37 14.803 21.791 3.783 1.00 0.00 N ATOM 585 CA GLU A 37 14.857 20.634 2.899 1.00 0.00 C ATOM 586 C GLU A 37 14.637 19.327 3.657 1.00 0.00 C ATOM 587 O GLU A 37 13.956 18.433 3.160 1.00 0.00 O ATOM 588 CB GLU A 37 16.206 20.604 2.182 1.00 0.00 C ATOM 589 CG GLU A 37 16.309 21.769 1.196 1.00 0.00 C ATOM 590 CD GLU A 37 17.681 21.848 0.531 1.00 0.00 C ATOM 591 OE1 GLU A 37 17.843 22.727 -0.342 1.00 0.00 O ATOM 592 OE2 GLU A 37 18.562 21.035 0.892 1.00 0.00 O ATOM 0 H GLU A 37 15.704 22.248 3.927 1.00 0.00 H new ATOM 0 HA GLU A 37 14.051 20.728 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.014 20.663 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.323 19.659 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.542 21.661 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.107 22.704 1.719 1.00 0.00 H new ATOM 599 N ARG A 38 15.204 19.203 4.865 1.00 0.00 N ATOM 600 CA ARG A 38 15.019 18.002 5.676 1.00 0.00 C ATOM 601 C ARG A 38 13.705 18.065 6.452 1.00 0.00 C ATOM 602 O ARG A 38 13.260 17.059 7.000 1.00 0.00 O ATOM 603 CB ARG A 38 16.215 17.815 6.615 1.00 0.00 C ATOM 604 CG ARG A 38 16.326 18.947 7.633 1.00 0.00 C ATOM 605 CD ARG A 38 17.544 18.737 8.535 1.00 0.00 C ATOM 606 NE ARG A 38 17.416 17.515 9.341 1.00 0.00 N ATOM 607 CZ ARG A 38 18.186 16.431 9.205 1.00 0.00 C ATOM 608 NH1 ARG A 38 19.148 16.377 8.286 1.00 0.00 N ATOM 609 NH2 ARG A 38 17.994 15.381 9.998 1.00 0.00 N ATOM 0 H ARG A 38 15.790 19.918 5.296 1.00 0.00 H new ATOM 0 HA ARG A 38 14.964 17.137 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.119 16.864 7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.132 17.764 6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.409 19.903 7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.421 18.990 8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.444 18.678 7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.662 19.597 9.194 1.00 0.00 H new ATOM 0 HE ARG A 38 16.688 17.492 10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.309 17.173 7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.724 15.540 8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.261 15.405 10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.580 14.552 9.897 1.00 0.00 H new ATOM 623 N GLN A 39 13.082 19.247 6.500 1.00 0.00 N ATOM 624 CA GLN A 39 11.807 19.446 7.170 1.00 0.00 C ATOM 625 C GLN A 39 10.645 18.974 6.297 1.00 0.00 C ATOM 626 O GLN A 39 9.606 18.575 6.819 1.00 0.00 O ATOM 627 CB GLN A 39 11.671 20.937 7.481 1.00 0.00 C ATOM 628 CG GLN A 39 10.303 21.294 8.063 1.00 0.00 C ATOM 629 CD GLN A 39 10.226 22.769 8.451 1.00 0.00 C ATOM 630 OE1 GLN A 39 11.242 23.407 8.720 1.00 0.00 O ATOM 631 NE2 GLN A 39 9.017 23.316 8.483 1.00 0.00 N ATOM 0 H GLN A 39 13.456 20.093 6.070 1.00 0.00 H new ATOM 0 HA GLN A 39 11.776 18.859 8.088 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.449 21.230 8.186 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.835 21.511 6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.526 21.068 7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.107 20.676 8.939 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.197 22.755 8.253 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.908 24.298 8.737 1.00 0.00 H new ATOM 640 N PHE A 40 10.824 19.020 4.974 1.00 0.00 N ATOM 641 CA PHE A 40 9.796 18.634 4.020 1.00 0.00 C ATOM 642 C PHE A 40 10.218 17.604 2.975 1.00 0.00 C ATOM 643 O PHE A 40 9.475 17.333 2.036 1.00 0.00 O ATOM 644 CB PHE A 40 9.125 19.867 3.412 1.00 0.00 C ATOM 645 CG PHE A 40 8.281 20.658 4.386 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.573 22.009 4.616 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.210 20.053 5.061 1.00 0.00 C ATOM 648 CE1 PHE A 40 7.790 22.757 5.507 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.439 20.795 5.967 1.00 0.00 C ATOM 650 CZ PHE A 40 6.726 22.150 6.187 1.00 0.00 C ATOM 0 H PHE A 40 11.693 19.329 4.538 1.00 0.00 H new ATOM 0 HA PHE A 40 9.051 18.091 4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.895 20.521 3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.498 19.551 2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.403 22.475 4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.979 19.013 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.007 23.802 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.624 20.323 6.496 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.128 22.724 6.879 1.00 0.00 H new ATOM 660 N ASN A 41 11.415 17.032 3.143 1.00 0.00 N ATOM 661 CA ASN A 41 12.010 16.080 2.208 1.00 0.00 C ATOM 662 C ASN A 41 12.161 16.652 0.792 1.00 0.00 C ATOM 663 O ASN A 41 12.361 15.904 -0.166 1.00 0.00 O ATOM 664 CB ASN A 41 11.245 14.753 2.232 1.00 0.00 C ATOM 665 CG ASN A 41 11.199 14.135 3.622 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.066 14.387 4.458 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.184 13.318 3.884 1.00 0.00 N ATOM 0 H ASN A 41 12.007 17.224 3.951 1.00 0.00 H new ATOM 0 HA ASN A 41 13.028 15.881 2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.228 14.917 1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.715 14.053 1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.107 12.878 4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.482 13.131 3.168 1.00 0.00 H new ATOM 674 N CYS A 42 12.064 17.977 0.665 1.00 0.00 N ATOM 675 CA CYS A 42 12.177 18.676 -0.603 1.00 0.00 C ATOM 676 C CYS A 42 13.611 19.159 -0.832 1.00 0.00 C ATOM 677 O CYS A 42 14.510 18.864 -0.043 1.00 0.00 O ATOM 678 CB CYS A 42 11.209 19.861 -0.581 1.00 0.00 C ATOM 679 SG CYS A 42 11.742 21.039 0.694 1.00 0.00 S ATOM 0 H CYS A 42 11.902 18.599 1.457 1.00 0.00 H new ATOM 0 HA CYS A 42 11.926 18.001 -1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.187 20.347 -1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.196 19.516 -0.374 1.00 0.00 H new ATOM 0 HG CYS A 42 11.795 22.234 0.186 1.00 0.00 H new ATOM 685 N VAL A 43 13.819 19.911 -1.914 1.00 0.00 N ATOM 686 CA VAL A 43 15.091 20.549 -2.232 1.00 0.00 C ATOM 687 C VAL A 43 14.793 21.988 -2.640 1.00 0.00 C ATOM 688 O VAL A 43 13.739 22.257 -3.217 1.00 0.00 O ATOM 689 CB VAL A 43 15.809 19.777 -3.348 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.074 20.503 -3.796 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.189 18.378 -2.859 1.00 0.00 C ATOM 0 H VAL A 43 13.092 20.095 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 43 15.758 20.546 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 43 15.124 19.705 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.560 19.932 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.812 21.492 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.754 20.604 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.698 17.839 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.852 18.461 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.288 17.836 -2.572 1.00 0.00 H new ATOM 701 N ILE A 44 15.708 22.917 -2.350 1.00 0.00 N ATOM 702 CA ILE A 44 15.515 24.329 -2.660 1.00 0.00 C ATOM 703 C ILE A 44 16.773 24.898 -3.306 1.00 0.00 C ATOM 704 O ILE A 44 17.891 24.538 -2.932 1.00 0.00 O ATOM 705 CB ILE A 44 15.126 25.103 -1.392 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.867 24.491 -0.762 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.909 26.589 -1.714 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.461 25.210 0.526 1.00 0.00 C ATOM 0 H ILE A 44 16.598 22.709 -1.896 1.00 0.00 H new ATOM 0 HA ILE A 44 14.698 24.434 -3.373 1.00 0.00 H new ATOM 0 HB ILE A 44 15.941 25.028 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.045 24.537 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.045 23.437 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.634 27.122 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.829 27.012 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.110 26.689 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.566 24.743 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.271 25.142 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.256 26.258 0.308 1.00 0.00 H new ATOM 720 N THR A 45 16.592 25.793 -4.281 1.00 0.00 N ATOM 721 CA THR A 45 17.694 26.431 -4.987 1.00 0.00 C ATOM 722 C THR A 45 17.530 27.928 -5.214 1.00 0.00 C ATOM 723 O THR A 45 16.591 28.355 -5.886 1.00 0.00 O ATOM 724 CB THR A 45 18.044 25.699 -6.286 1.00 0.00 C ATOM 725 OG1 THR A 45 17.842 24.308 -6.160 1.00 0.00 O ATOM 726 CG2 THR A 45 19.493 25.973 -6.681 1.00 0.00 C ATOM 0 H THR A 45 15.671 26.093 -4.600 1.00 0.00 H new ATOM 0 HA THR A 45 18.540 26.342 -4.306 1.00 0.00 H new ATOM 0 HB THR A 45 17.381 26.076 -7.065 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.072 23.866 -7.004 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.724 25.445 -7.606 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.633 27.044 -6.830 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.158 25.626 -5.890 1.00 0.00 H new ATOM 734 N VAL A 46 18.443 28.724 -4.655 1.00 0.00 N ATOM 735 CA VAL A 46 18.454 30.167 -4.863 1.00 0.00 C ATOM 736 C VAL A 46 19.241 30.516 -6.126 1.00 0.00 C ATOM 737 O VAL A 46 20.161 29.792 -6.504 1.00 0.00 O ATOM 738 CB VAL A 46 18.971 30.910 -3.620 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.722 32.410 -3.753 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.256 30.419 -2.358 1.00 0.00 C ATOM 0 H VAL A 46 19.191 28.386 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 46 17.429 30.505 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 46 20.040 30.712 -3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.094 32.921 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.241 32.788 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.653 32.594 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.637 30.958 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.185 30.597 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.436 29.352 -2.230 1.00 0.00 H new ATOM 750 N HIS A 47 18.877 31.625 -6.777 1.00 0.00 N ATOM 751 CA HIS A 47 19.471 32.036 -8.038 1.00 0.00 C ATOM 752 C HIS A 47 19.856 33.513 -8.018 1.00 0.00 C ATOM 753 O HIS A 47 19.359 34.302 -8.819 1.00 0.00 O ATOM 754 CB HIS A 47 18.492 31.694 -9.163 1.00 0.00 C ATOM 755 CG HIS A 47 18.459 30.222 -9.476 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.444 29.519 -10.142 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.450 29.351 -9.180 1.00 0.00 C ATOM 758 CE1 HIS A 47 19.034 28.240 -10.252 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.818 28.118 -9.681 1.00 0.00 N ATOM 0 H HIS A 47 18.157 32.262 -6.436 1.00 0.00 H new ATOM 0 HA HIS A 47 20.403 31.496 -8.208 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.492 32.024 -8.882 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.769 32.246 -10.061 1.00 0.00 H new ATOM 0 HD1 HIS A 47 20.324 29.900 -10.489 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.536 29.583 -8.653 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.589 27.442 -10.722 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.265 27.262 -9.628 1.00 0.00 H new ATOM 768 N THR A 48 20.745 33.889 -7.097 1.00 0.00 N ATOM 769 CA THR A 48 21.198 35.269 -6.951 1.00 0.00 C ATOM 770 C THR A 48 21.927 35.857 -8.154 1.00 0.00 C ATOM 771 O THR A 48 22.155 37.067 -8.205 1.00 0.00 O ATOM 772 CB THR A 48 21.974 35.487 -5.645 1.00 0.00 C ATOM 773 OG1 THR A 48 23.349 35.262 -5.870 1.00 0.00 O ATOM 774 CG2 THR A 48 21.512 34.572 -4.511 1.00 0.00 C ATOM 0 H THR A 48 21.170 33.243 -6.432 1.00 0.00 H new ATOM 0 HA THR A 48 20.273 35.843 -6.899 1.00 0.00 H new ATOM 0 HB THR A 48 21.784 36.515 -5.338 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.844 35.403 -5.036 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.100 34.776 -3.616 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.458 34.755 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.648 33.531 -4.805 1.00 0.00 H new ATOM 782 N GLU A 49 22.294 35.019 -9.129 1.00 0.00 N ATOM 783 CA GLU A 49 22.903 35.485 -10.367 1.00 0.00 C ATOM 784 C GLU A 49 21.853 36.161 -11.256 1.00 0.00 C ATOM 785 O GLU A 49 22.202 36.801 -12.246 1.00 0.00 O ATOM 786 CB GLU A 49 23.586 34.320 -11.099 1.00 0.00 C ATOM 787 CG GLU A 49 22.622 33.248 -11.625 1.00 0.00 C ATOM 788 CD GLU A 49 22.151 32.255 -10.563 1.00 0.00 C ATOM 789 OE1 GLU A 49 21.306 31.404 -10.916 1.00 0.00 O ATOM 790 OE2 GLU A 49 22.622 32.340 -9.405 1.00 0.00 O ATOM 0 H GLU A 49 22.176 34.007 -9.078 1.00 0.00 H new ATOM 0 HA GLU A 49 23.667 36.225 -10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 49 24.158 34.719 -11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 49 24.299 33.849 -10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.751 33.740 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.111 32.698 -12.429 1.00 0.00 H new ATOM 797 N VAL A 50 20.572 36.015 -10.901 1.00 0.00 N ATOM 798 CA VAL A 50 19.462 36.672 -11.577 1.00 0.00 C ATOM 799 C VAL A 50 19.074 37.957 -10.848 1.00 0.00 C ATOM 800 O VAL A 50 19.285 38.073 -9.639 1.00 0.00 O ATOM 801 CB VAL A 50 18.263 35.726 -11.693 1.00 0.00 C ATOM 802 CG1 VAL A 50 17.159 36.328 -12.566 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.684 34.378 -12.279 1.00 0.00 C ATOM 0 H VAL A 50 20.279 35.426 -10.122 1.00 0.00 H new ATOM 0 HA VAL A 50 19.782 36.937 -12.585 1.00 0.00 H new ATOM 0 HB VAL A 50 17.876 35.578 -10.685 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.323 35.631 -12.627 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.818 37.266 -12.127 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.548 36.517 -13.566 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.814 33.725 -12.351 1.00 0.00 H new ATOM 0 HG22 VAL A 50 19.107 34.529 -13.272 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.431 33.918 -11.632 1.00 0.00 H new ATOM 813 N GLN A 51 18.507 38.922 -11.574 1.00 0.00 N ATOM 814 CA GLN A 51 18.030 40.160 -10.983 1.00 0.00 C ATOM 815 C GLN A 51 16.822 40.673 -11.759 1.00 0.00 C ATOM 816 O GLN A 51 16.901 40.901 -12.967 1.00 0.00 O ATOM 817 CB GLN A 51 19.169 41.183 -10.950 1.00 0.00 C ATOM 818 CG GLN A 51 18.677 42.533 -10.424 1.00 0.00 C ATOM 819 CD GLN A 51 19.821 43.524 -10.218 1.00 0.00 C ATOM 820 OE1 GLN A 51 20.981 43.226 -10.494 1.00 0.00 O ATOM 821 NE2 GLN A 51 19.494 44.720 -9.732 1.00 0.00 N ATOM 0 H GLN A 51 18.369 38.862 -12.583 1.00 0.00 H new ATOM 0 HA GLN A 51 17.709 39.985 -9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.976 40.814 -10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.581 41.307 -11.952 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.956 42.953 -11.125 1.00 0.00 H new ATOM 0 HG3 GLN A 51 18.153 42.384 -9.480 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.521 44.933 -9.514 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.217 45.423 -9.578 1.00 0.00 H new ATOM 830 N SER A 52 15.697 40.851 -11.060 1.00 0.00 N ATOM 831 CA SER A 52 14.465 41.348 -11.648 1.00 0.00 C ATOM 832 C SER A 52 14.509 42.867 -11.817 1.00 0.00 C ATOM 833 O SER A 52 15.445 43.528 -11.365 1.00 0.00 O ATOM 834 CB SER A 52 13.293 40.973 -10.747 1.00 0.00 C ATOM 835 OG SER A 52 13.377 41.698 -9.538 1.00 0.00 O ATOM 0 H SER A 52 15.623 40.650 -10.063 1.00 0.00 H new ATOM 0 HA SER A 52 14.344 40.897 -12.633 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.350 41.191 -11.249 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.306 39.902 -10.543 1.00 0.00 H new ATOM 0 HG SER A 52 12.522 41.642 -9.063 1.00 0.00 H new ATOM 841 N SER A 53 13.484 43.417 -12.468 1.00 0.00 N ATOM 842 CA SER A 53 13.331 44.858 -12.642 1.00 0.00 C ATOM 843 C SER A 53 12.856 45.508 -11.344 1.00 0.00 C ATOM 844 O SER A 53 12.592 46.711 -11.316 1.00 0.00 O ATOM 845 CB SER A 53 12.345 45.127 -13.780 1.00 0.00 C ATOM 846 OG SER A 53 11.078 44.593 -13.456 1.00 0.00 O ATOM 0 H SER A 53 12.734 42.871 -12.891 1.00 0.00 H new ATOM 0 HA SER A 53 14.296 45.296 -12.897 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.263 46.200 -13.956 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.712 44.680 -14.704 1.00 0.00 H new ATOM 0 HG SER A 53 10.451 44.770 -14.188 1.00 0.00 H new ATOM 852 N PHE A 54 12.750 44.718 -10.270 1.00 0.00 N ATOM 853 CA PHE A 54 12.288 45.169 -8.968 1.00 0.00 C ATOM 854 C PHE A 54 13.218 44.907 -7.781 1.00 0.00 C ATOM 855 O PHE A 54 12.820 45.080 -6.629 1.00 0.00 O ATOM 856 CB PHE A 54 10.812 44.839 -8.731 1.00 0.00 C ATOM 857 CG PHE A 54 10.398 43.471 -9.225 1.00 0.00 C ATOM 858 CD1 PHE A 54 10.644 42.337 -8.440 1.00 0.00 C ATOM 859 CD2 PHE A 54 9.761 43.335 -10.467 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.252 41.069 -8.890 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.370 42.068 -10.921 1.00 0.00 C ATOM 862 CZ PHE A 54 9.612 40.935 -10.128 1.00 0.00 C ATOM 0 H PHE A 54 12.990 43.727 -10.290 1.00 0.00 H new ATOM 0 HA PHE A 54 12.348 46.256 -9.022 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.603 44.907 -7.663 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.198 45.593 -9.225 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.137 42.440 -7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.572 44.208 -11.074 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.443 40.197 -8.283 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.883 41.963 -11.879 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.304 39.959 -10.473 1.00 0.00 H new ATOM 872 N GLY A 55 14.456 44.492 -8.057 1.00 0.00 N ATOM 873 CA GLY A 55 15.459 44.290 -7.020 1.00 0.00 C ATOM 874 C GLY A 55 15.271 42.985 -6.258 1.00 0.00 C ATOM 875 O GLY A 55 15.613 42.912 -5.080 1.00 0.00 O ATOM 0 H GLY A 55 14.786 44.289 -9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.450 44.300 -7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.421 45.123 -6.318 1.00 0.00 H new ATOM 879 N ALA A 56 14.727 41.959 -6.916 1.00 0.00 N ATOM 880 CA ALA A 56 14.474 40.671 -6.291 1.00 0.00 C ATOM 881 C ALA A 56 15.285 39.549 -6.943 1.00 0.00 C ATOM 882 O ALA A 56 15.860 39.721 -8.019 1.00 0.00 O ATOM 883 CB ALA A 56 12.978 40.378 -6.335 1.00 0.00 C ATOM 0 H ALA A 56 14.452 42.004 -7.897 1.00 0.00 H new ATOM 0 HA ALA A 56 14.799 40.717 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.782 39.413 -5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.439 41.158 -5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.642 40.354 -7.372 1.00 0.00 H new ATOM 889 N THR A 57 15.319 38.393 -6.274 1.00 0.00 N ATOM 890 CA THR A 57 16.057 37.215 -6.699 1.00 0.00 C ATOM 891 C THR A 57 15.043 36.068 -6.664 1.00 0.00 C ATOM 892 O THR A 57 14.298 35.934 -5.695 1.00 0.00 O ATOM 893 CB THR A 57 17.173 36.964 -5.679 1.00 0.00 C ATOM 894 OG1 THR A 57 18.270 37.804 -5.967 1.00 0.00 O ATOM 895 CG2 THR A 57 17.654 35.514 -5.707 1.00 0.00 C ATOM 0 H THR A 57 14.817 38.254 -5.397 1.00 0.00 H new ATOM 0 HA THR A 57 16.503 37.318 -7.688 1.00 0.00 H new ATOM 0 HB THR A 57 16.768 37.176 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.984 37.646 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.445 35.379 -4.969 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.822 34.850 -5.473 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.039 35.277 -6.699 1.00 0.00 H new ATOM 903 N PRO A 58 15.002 35.234 -7.709 1.00 0.00 N ATOM 904 CA PRO A 58 14.097 34.105 -7.797 1.00 0.00 C ATOM 905 C PRO A 58 14.629 32.908 -7.007 1.00 0.00 C ATOM 906 O PRO A 58 15.832 32.792 -6.758 1.00 0.00 O ATOM 907 CB PRO A 58 14.003 33.798 -9.288 1.00 0.00 C ATOM 908 CG PRO A 58 15.393 34.167 -9.798 1.00 0.00 C ATOM 909 CD PRO A 58 15.814 35.336 -8.905 1.00 0.00 C ATOM 0 HA PRO A 58 13.120 34.325 -7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.770 32.749 -9.471 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.225 34.386 -9.774 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.085 33.329 -9.713 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.370 34.455 -10.849 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.875 35.280 -8.663 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.652 36.290 -9.407 1.00 0.00 H new ATOM 917 N VAL A 59 13.718 32.014 -6.621 1.00 0.00 N ATOM 918 CA VAL A 59 14.029 30.792 -5.894 1.00 0.00 C ATOM 919 C VAL A 59 13.216 29.621 -6.430 1.00 0.00 C ATOM 920 O VAL A 59 12.068 29.807 -6.826 1.00 0.00 O ATOM 921 CB VAL A 59 13.827 30.961 -4.378 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.463 29.799 -3.613 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.427 32.273 -3.867 1.00 0.00 C ATOM 0 H VAL A 59 12.722 32.126 -6.811 1.00 0.00 H new ATOM 0 HA VAL A 59 15.085 30.575 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 59 12.751 30.975 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.308 29.939 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.003 28.862 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.532 29.767 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.263 32.354 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.497 32.288 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 59 13.949 33.113 -4.371 1.00 0.00 H new ATOM 933 N GLU A 60 13.805 28.426 -6.443 1.00 0.00 N ATOM 934 CA GLU A 60 13.163 27.228 -6.954 1.00 0.00 C ATOM 935 C GLU A 60 13.032 26.165 -5.866 1.00 0.00 C ATOM 936 O GLU A 60 13.816 26.142 -4.921 1.00 0.00 O ATOM 937 CB GLU A 60 13.951 26.686 -8.147 1.00 0.00 C ATOM 938 CG GLU A 60 13.830 27.629 -9.348 1.00 0.00 C ATOM 939 CD GLU A 60 14.771 27.238 -10.486 1.00 0.00 C ATOM 940 OE1 GLU A 60 15.662 26.390 -10.245 1.00 0.00 O ATOM 941 OE2 GLU A 60 14.600 27.796 -11.589 1.00 0.00 O ATOM 0 H GLU A 60 14.750 28.267 -6.095 1.00 0.00 H new ATOM 0 HA GLU A 60 12.157 27.489 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.000 26.569 -7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.580 25.697 -8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.802 27.623 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.050 28.648 -9.031 1.00 0.00 H new ATOM 948 N ILE A 61 12.035 25.286 -6.015 1.00 0.00 N ATOM 949 CA ILE A 61 11.772 24.212 -5.068 1.00 0.00 C ATOM 950 C ILE A 61 11.454 22.932 -5.839 1.00 0.00 C ATOM 951 O ILE A 61 10.859 22.992 -6.915 1.00 0.00 O ATOM 952 CB ILE A 61 10.612 24.600 -4.142 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.865 25.976 -3.512 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.390 23.529 -3.069 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.717 26.413 -2.603 1.00 0.00 C ATOM 0 H ILE A 61 11.387 25.305 -6.803 1.00 0.00 H new ATOM 0 HA ILE A 61 12.652 24.040 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 61 9.701 24.665 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.791 25.946 -2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.004 26.715 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.563 23.826 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.154 22.578 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.295 23.420 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.941 27.392 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.796 26.470 -3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.595 25.689 -1.797 1.00 0.00 H new ATOM 967 N VAL A 62 11.846 21.779 -5.294 1.00 0.00 N ATOM 968 CA VAL A 62 11.622 20.476 -5.908 1.00 0.00 C ATOM 969 C VAL A 62 11.189 19.446 -4.869 1.00 0.00 C ATOM 970 O VAL A 62 11.708 19.431 -3.753 1.00 0.00 O ATOM 971 CB VAL A 62 12.870 20.003 -6.664 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.582 18.725 -7.449 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.374 21.069 -7.635 1.00 0.00 C ATOM 0 H VAL A 62 12.335 21.727 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 62 10.812 20.582 -6.630 1.00 0.00 H new ATOM 0 HB VAL A 62 13.637 19.810 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.483 18.411 -7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.271 17.938 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.787 18.913 -8.170 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.259 20.700 -8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.595 21.295 -8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.628 21.974 -7.082 1.00 0.00 H new ATOM 983 N ALA A 63 10.240 18.584 -5.236 1.00 0.00 N ATOM 984 CA ALA A 63 9.740 17.527 -4.367 1.00 0.00 C ATOM 985 C ALA A 63 9.078 16.429 -5.200 1.00 0.00 C ATOM 986 O ALA A 63 8.801 16.625 -6.382 1.00 0.00 O ATOM 987 CB ALA A 63 8.740 18.121 -3.378 1.00 0.00 C ATOM 0 H ALA A 63 9.795 18.603 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 63 10.571 17.085 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.363 17.334 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.233 18.886 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.910 18.568 -3.924 1.00 0.00 H new ATOM 993 N GLN A 64 8.818 15.271 -4.586 1.00 0.00 N ATOM 994 CA GLN A 64 8.207 14.145 -5.281 1.00 0.00 C ATOM 995 C GLN A 64 6.738 14.439 -5.616 1.00 0.00 C ATOM 996 O GLN A 64 6.180 13.825 -6.525 1.00 0.00 O ATOM 997 CB GLN A 64 8.340 12.902 -4.394 1.00 0.00 C ATOM 998 CG GLN A 64 7.826 11.629 -5.074 1.00 0.00 C ATOM 999 CD GLN A 64 8.642 11.250 -6.307 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.753 11.731 -6.506 1.00 0.00 O ATOM 1001 NE2 GLN A 64 8.097 10.376 -7.148 1.00 0.00 N ATOM 0 H GLN A 64 9.024 15.093 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 64 8.717 13.972 -6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.387 12.766 -4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.788 13.062 -3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.850 10.806 -4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.784 11.771 -5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.171 9.993 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.605 10.089 -7.985 1.00 0.00 H new ATOM 1010 N ASN A 65 6.111 15.370 -4.891 1.00 0.00 N ATOM 1011 CA ASN A 65 4.722 15.744 -5.106 1.00 0.00 C ATOM 1012 C ASN A 65 4.433 17.143 -4.558 1.00 0.00 C ATOM 1013 O ASN A 65 5.237 17.708 -3.817 1.00 0.00 O ATOM 1014 CB ASN A 65 3.802 14.697 -4.465 1.00 0.00 C ATOM 1015 CG ASN A 65 4.166 14.393 -3.016 1.00 0.00 C ATOM 1016 OD1 ASN A 65 4.613 15.264 -2.278 1.00 0.00 O ATOM 1017 ND2 ASN A 65 3.977 13.146 -2.598 1.00 0.00 N ATOM 0 H ASN A 65 6.562 15.885 -4.135 1.00 0.00 H new ATOM 0 HA ASN A 65 4.529 15.773 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.772 15.051 -4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.848 13.776 -5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.206 12.890 -1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.603 12.445 -3.238 1.00 0.00 H new ATOM 1024 N LYS A 66 3.278 17.709 -4.926 1.00 0.00 N ATOM 1025 CA LYS A 66 2.878 19.030 -4.463 1.00 0.00 C ATOM 1026 C LYS A 66 2.541 19.022 -2.975 1.00 0.00 C ATOM 1027 O LYS A 66 2.509 20.075 -2.342 1.00 0.00 O ATOM 1028 CB LYS A 66 1.680 19.526 -5.277 1.00 0.00 C ATOM 1029 CG LYS A 66 2.045 19.659 -6.757 1.00 0.00 C ATOM 1030 CD LYS A 66 0.860 20.217 -7.541 1.00 0.00 C ATOM 1031 CE LYS A 66 1.230 20.332 -9.017 1.00 0.00 C ATOM 1032 NZ LYS A 66 0.098 20.849 -9.811 1.00 0.00 N ATOM 0 H LYS A 66 2.604 17.264 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 66 3.718 19.709 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.846 18.833 -5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.347 20.490 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.907 20.316 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.331 18.687 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.006 19.566 -7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.580 21.195 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.089 20.994 -9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.529 19.355 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.377 20.917 -10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.712 20.204 -9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.170 21.791 -9.461 1.00 0.00 H new ATOM 1046 N GLU A 67 2.292 17.836 -2.411 1.00 0.00 N ATOM 1047 CA GLU A 67 1.969 17.683 -0.997 1.00 0.00 C ATOM 1048 C GLU A 67 3.175 17.988 -0.114 1.00 0.00 C ATOM 1049 O GLU A 67 3.033 18.084 1.104 1.00 0.00 O ATOM 1050 CB GLU A 67 1.478 16.254 -0.736 1.00 0.00 C ATOM 1051 CG GLU A 67 0.280 15.879 -1.616 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.962 16.727 -1.335 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -0.971 17.450 -0.313 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -1.900 16.642 -2.159 1.00 0.00 O ATOM 0 H GLU A 67 2.310 16.956 -2.927 1.00 0.00 H new ATOM 0 HA GLU A 67 1.183 18.395 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.293 15.554 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.200 16.154 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.558 15.990 -2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.037 14.828 -1.460 1.00 0.00 H new ATOM 1061 N GLN A 68 4.359 18.141 -0.714 1.00 0.00 N ATOM 1062 CA GLN A 68 5.581 18.469 0.009 1.00 0.00 C ATOM 1063 C GLN A 68 6.259 19.702 -0.586 1.00 0.00 C ATOM 1064 O GLN A 68 7.031 20.362 0.106 1.00 0.00 O ATOM 1065 CB GLN A 68 6.528 17.269 -0.038 1.00 0.00 C ATOM 1066 CG GLN A 68 5.946 16.039 0.669 1.00 0.00 C ATOM 1067 CD GLN A 68 5.751 16.259 2.164 1.00 0.00 C ATOM 1068 OE1 GLN A 68 4.730 15.871 2.726 1.00 0.00 O ATOM 1069 NE2 GLN A 68 6.722 16.877 2.831 1.00 0.00 N ATOM 0 H GLN A 68 4.492 18.039 -1.720 1.00 0.00 H new ATOM 0 HA GLN A 68 5.327 18.698 1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.743 17.020 -1.077 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.476 17.539 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.988 15.783 0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.609 15.188 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.560 17.189 2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.629 17.039 3.834 1.00 0.00 H new ATOM 1078 N CYS A 69 5.988 20.023 -1.856 1.00 0.00 N ATOM 1079 CA CYS A 69 6.599 21.178 -2.492 1.00 0.00 C ATOM 1080 C CYS A 69 5.936 22.464 -1.987 1.00 0.00 C ATOM 1081 O CYS A 69 6.610 23.471 -1.784 1.00 0.00 O ATOM 1082 CB CYS A 69 6.409 21.051 -4.006 1.00 0.00 C ATOM 1083 SG CYS A 69 7.538 22.189 -4.849 1.00 0.00 S ATOM 0 H CYS A 69 5.352 19.497 -2.455 1.00 0.00 H new ATOM 0 HA CYS A 69 7.661 21.220 -2.251 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.603 20.026 -4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.377 21.278 -4.275 1.00 0.00 H new ATOM 0 HG CYS A 69 7.381 22.083 -6.135 1.00 0.00 H new ATOM 1089 N GLN A 70 4.616 22.432 -1.782 1.00 0.00 N ATOM 1090 CA GLN A 70 3.870 23.600 -1.335 1.00 0.00 C ATOM 1091 C GLN A 70 4.147 23.922 0.131 1.00 0.00 C ATOM 1092 O GLN A 70 4.042 25.076 0.541 1.00 0.00 O ATOM 1093 CB GLN A 70 2.370 23.351 -1.506 1.00 0.00 C ATOM 1094 CG GLN A 70 1.972 23.209 -2.981 1.00 0.00 C ATOM 1095 CD GLN A 70 2.063 24.522 -3.747 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.357 25.577 -3.188 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.812 24.468 -5.053 1.00 0.00 N ATOM 0 H GLN A 70 4.043 21.600 -1.921 1.00 0.00 H new ATOM 0 HA GLN A 70 4.191 24.446 -1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.090 22.446 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.813 24.174 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.617 22.471 -3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.953 22.828 -3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.571 23.578 -5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.861 25.316 -5.617 1.00 0.00 H new ATOM 1106 N GLU A 71 4.504 22.911 0.926 1.00 0.00 N ATOM 1107 CA GLU A 71 4.763 23.123 2.339 1.00 0.00 C ATOM 1108 C GLU A 71 6.070 23.885 2.526 1.00 0.00 C ATOM 1109 O GLU A 71 6.193 24.685 3.450 1.00 0.00 O ATOM 1110 CB GLU A 71 4.821 21.772 3.053 1.00 0.00 C ATOM 1111 CG GLU A 71 3.542 20.950 2.868 1.00 0.00 C ATOM 1112 CD GLU A 71 2.306 21.613 3.483 1.00 0.00 C ATOM 1113 OE1 GLU A 71 1.192 21.116 3.204 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.475 22.608 4.225 1.00 0.00 O ATOM 0 H GLU A 71 4.618 21.947 0.612 1.00 0.00 H new ATOM 0 HA GLU A 71 3.958 23.718 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.671 21.203 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.992 21.935 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.370 20.792 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.681 19.967 3.318 1.00 0.00 H new ATOM 1121 N ALA A 72 7.049 23.642 1.647 1.00 0.00 N ATOM 1122 CA ALA A 72 8.319 24.342 1.694 1.00 0.00 C ATOM 1123 C ALA A 72 8.190 25.735 1.079 1.00 0.00 C ATOM 1124 O ALA A 72 8.918 26.650 1.462 1.00 0.00 O ATOM 1125 CB ALA A 72 9.357 23.517 0.941 1.00 0.00 C ATOM 0 H ALA A 72 6.976 22.959 0.893 1.00 0.00 H new ATOM 0 HA ALA A 72 8.631 24.467 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.318 24.030 0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.455 22.539 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.041 23.392 -0.095 1.00 0.00 H new ATOM 1131 N ARG A 73 7.264 25.907 0.131 1.00 0.00 N ATOM 1132 CA ARG A 73 7.005 27.200 -0.490 1.00 0.00 C ATOM 1133 C ARG A 73 6.413 28.158 0.532 1.00 0.00 C ATOM 1134 O ARG A 73 6.904 29.272 0.702 1.00 0.00 O ATOM 1135 CB ARG A 73 6.052 27.003 -1.675 1.00 0.00 C ATOM 1136 CG ARG A 73 5.384 28.306 -2.125 1.00 0.00 C ATOM 1137 CD ARG A 73 6.401 29.373 -2.535 1.00 0.00 C ATOM 1138 NE ARG A 73 5.728 30.642 -2.838 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.025 30.869 -3.951 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.935 29.924 -4.882 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.416 32.034 -4.138 1.00 0.00 N ATOM 0 H ARG A 73 6.676 25.153 -0.224 1.00 0.00 H new ATOM 0 HA ARG A 73 7.937 27.632 -0.854 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.604 26.576 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.282 26.282 -1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.720 28.099 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.764 28.691 -1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.123 29.521 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.959 29.034 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 73 5.802 31.397 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.402 29.028 -4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.399 30.095 -5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.483 32.764 -3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.881 32.199 -4.991 1.00 0.00 H new ATOM 1155 N ASN A 74 5.356 27.726 1.215 1.00 0.00 N ATOM 1156 CA ASN A 74 4.687 28.551 2.204 1.00 0.00 C ATOM 1157 C ASN A 74 5.545 28.784 3.446 1.00 0.00 C ATOM 1158 O ASN A 74 5.228 29.652 4.258 1.00 0.00 O ATOM 1159 CB ASN A 74 3.335 27.924 2.551 1.00 0.00 C ATOM 1160 CG ASN A 74 2.334 28.122 1.421 1.00 0.00 C ATOM 1161 OD1 ASN A 74 1.819 29.217 1.224 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.047 27.062 0.667 1.00 0.00 N ATOM 0 H ASN A 74 4.945 26.800 1.096 1.00 0.00 H new ATOM 0 HA ASN A 74 4.520 29.539 1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.463 26.859 2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.948 28.371 3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.381 27.148 -0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.493 26.165 0.858 1.00 0.00 H new ATOM 1169 N ALA A 75 6.629 28.022 3.609 1.00 0.00 N ATOM 1170 CA ALA A 75 7.531 28.196 4.732 1.00 0.00 C ATOM 1171 C ALA A 75 8.548 29.303 4.455 1.00 0.00 C ATOM 1172 O ALA A 75 8.917 30.040 5.363 1.00 0.00 O ATOM 1173 CB ALA A 75 8.241 26.869 4.997 1.00 0.00 C ATOM 0 H ALA A 75 6.898 27.275 2.968 1.00 0.00 H new ATOM 0 HA ALA A 75 6.959 28.493 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.923 26.983 5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.503 26.101 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.804 26.574 4.111 1.00 0.00 H new ATOM 1179 N VAL A 76 9.011 29.432 3.206 1.00 0.00 N ATOM 1180 CA VAL A 76 10.020 30.428 2.853 1.00 0.00 C ATOM 1181 C VAL A 76 9.353 31.788 2.643 1.00 0.00 C ATOM 1182 O VAL A 76 10.035 32.798 2.483 1.00 0.00 O ATOM 1183 CB VAL A 76 10.768 29.946 1.600 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.763 30.978 1.067 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.555 28.677 1.946 1.00 0.00 C ATOM 0 H VAL A 76 8.700 28.856 2.424 1.00 0.00 H new ATOM 0 HA VAL A 76 10.745 30.548 3.658 1.00 0.00 H new ATOM 0 HB VAL A 76 10.016 29.768 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.260 30.581 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.232 31.893 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.506 31.196 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.089 28.328 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.270 28.897 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.866 27.902 2.283 1.00 0.00 H new ATOM 1195 N MET A 77 8.019 31.827 2.646 1.00 0.00 N ATOM 1196 CA MET A 77 7.270 33.055 2.407 1.00 0.00 C ATOM 1197 C MET A 77 6.786 33.719 3.693 1.00 0.00 C ATOM 1198 O MET A 77 6.131 34.759 3.629 1.00 0.00 O ATOM 1199 CB MET A 77 6.104 32.754 1.462 1.00 0.00 C ATOM 1200 CG MET A 77 6.656 32.302 0.115 1.00 0.00 C ATOM 1201 SD MET A 77 7.440 33.624 -0.846 1.00 0.00 S ATOM 1202 CE MET A 77 8.580 32.619 -1.828 1.00 0.00 C ATOM 0 H MET A 77 7.432 31.010 2.814 1.00 0.00 H new ATOM 0 HA MET A 77 7.944 33.775 1.943 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.467 31.978 1.887 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.484 33.642 1.335 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.384 31.508 0.281 1.00 0.00 H new ATOM 0 HG3 MET A 77 5.844 31.873 -0.473 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.266 33.271 -2.370 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.148 31.963 -1.168 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.014 32.017 -2.539 1.00 0.00 H new ATOM 1212 N SER A 78 7.091 33.139 4.857 1.00 0.00 N ATOM 1213 CA SER A 78 6.668 33.722 6.124 1.00 0.00 C ATOM 1214 C SER A 78 7.539 33.282 7.303 1.00 0.00 C ATOM 1215 O SER A 78 7.665 34.032 8.269 1.00 0.00 O ATOM 1216 CB SER A 78 5.212 33.325 6.382 1.00 0.00 C ATOM 1217 OG SER A 78 4.767 33.833 7.621 1.00 0.00 O ATOM 0 H SER A 78 7.625 32.274 4.944 1.00 0.00 H new ATOM 0 HA SER A 78 6.773 34.804 6.045 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.579 33.704 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.119 32.239 6.375 1.00 0.00 H new ATOM 0 HG SER A 78 3.834 33.570 7.766 1.00 0.00 H new ATOM 1223 N LEU A 79 8.139 32.087 7.238 1.00 0.00 N ATOM 1224 CA LEU A 79 8.939 31.572 8.343 1.00 0.00 C ATOM 1225 C LEU A 79 10.431 31.715 8.073 1.00 0.00 C ATOM 1226 O LEU A 79 11.170 32.170 8.942 1.00 0.00 O ATOM 1227 CB LEU A 79 8.586 30.101 8.594 1.00 0.00 C ATOM 1228 CG LEU A 79 7.082 29.876 8.766 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.830 28.391 9.017 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.537 30.679 9.946 1.00 0.00 C ATOM 0 H LEU A 79 8.083 31.464 6.432 1.00 0.00 H new ATOM 0 HA LEU A 79 8.708 32.161 9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.947 29.498 7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.106 29.754 9.487 1.00 0.00 H new ATOM 0 HG LEU A 79 6.575 30.206 7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.761 28.219 9.141 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.195 27.812 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.355 28.081 9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.466 30.500 10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.042 30.370 10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.713 31.741 9.776 1.00 0.00 H new ATOM 1242 N MET A 80 10.860 31.326 6.867 1.00 0.00 N ATOM 1243 CA MET A 80 12.252 31.371 6.429 1.00 0.00 C ATOM 1244 C MET A 80 13.194 30.706 7.434 1.00 0.00 C ATOM 1245 O MET A 80 14.397 30.959 7.414 1.00 0.00 O ATOM 1246 CB MET A 80 12.658 32.813 6.111 1.00 0.00 C ATOM 1247 CG MET A 80 11.639 33.441 5.159 1.00 0.00 C ATOM 1248 SD MET A 80 12.084 35.086 4.541 1.00 0.00 S ATOM 1249 CE MET A 80 13.329 34.618 3.311 1.00 0.00 C ATOM 0 H MET A 80 10.229 30.962 6.153 1.00 0.00 H new ATOM 0 HA MET A 80 12.341 30.789 5.512 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.717 33.395 7.031 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.650 32.830 5.659 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.500 32.774 4.308 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.679 33.509 5.671 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.729 35.515 2.839 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.137 34.074 3.800 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.871 33.982 2.553 1.00 0.00 H new ATOM 1259 N GLN A 81 12.646 29.857 8.312 1.00 0.00 N ATOM 1260 CA GLN A 81 13.360 29.222 9.415 1.00 0.00 C ATOM 1261 C GLN A 81 14.016 30.236 10.364 1.00 0.00 C ATOM 1262 O GLN A 81 14.718 29.862 11.301 1.00 0.00 O ATOM 1263 CB GLN A 81 14.273 28.114 8.855 1.00 0.00 C ATOM 1264 CG GLN A 81 15.242 27.493 9.869 1.00 0.00 C ATOM 1265 CD GLN A 81 14.543 26.906 11.091 1.00 0.00 C ATOM 1266 OE1 GLN A 81 13.334 26.684 11.090 1.00 0.00 O ATOM 1267 NE2 GLN A 81 15.304 26.644 12.149 1.00 0.00 N ATOM 0 H GLN A 81 11.663 29.588 8.269 1.00 0.00 H new ATOM 0 HA GLN A 81 12.656 28.722 10.081 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.647 27.323 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.852 28.525 8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.818 26.709 9.377 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.952 28.253 10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.305 26.840 12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.887 26.247 12.991 1.00 0.00 H new