USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 722 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 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.077 USER MOD Set 2.2: A 20 THR OG1 : rot 180:sc= 0.00997 USER MOD Single : A 8 MET CE :methyl -178:sc= -8.53! (180deg=-8.95!) USER MOD Single : A 15 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.32) USER MOD Single : A 17 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.73) USER MOD Single : A 19 ASN : amide:sc= -0.451 K(o=-0.45,f=-3.4!) USER MOD Single : A 25 LYS NZ :NH3+ -135:sc= -0.411 (180deg=-2.05) USER MOD Single : A 28 ASN : amide:sc= 0.197 K(o=0.2,f=-0.72) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : A 57 ASN : amide:sc= -3.26! C(o=-3.3!,f=-2.5!) USER MOD Single : A 61 HIS : no HD1:sc= -5.46! C(o=-5.5!,f=-6.3!) USER MOD Single : A 62 THR OG1 : rot -160:sc= -1.13 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -5.19 K(o=-5.2,f=-3.7!) USER MOD Single : A 66 GLN : amide:sc= -0.0644 X(o=-0.064,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.071) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.816 K(o=-0.82,f=-0.19) USER MOD Single : A 83 CYS SG : rot 39:sc= 0.191 USER MOD Single : A 85 MET CE :methyl -116:sc= -11.3! (180deg=-13.4!) USER MOD Single : A 86 ASN : amide:sc= -4.84! C(o=-4.8!,f=-8.6!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.149 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot -15:sc= -1.8 USER MOD Single : A 111 MET CE :methyl -170:sc= 0 (180deg=-0.0202) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 97.820 -1.421 -13.003 1.00 0.00 N ATOM 90 CA ARG A 7 96.458 -1.511 -12.404 1.00 0.00 C ATOM 91 C ARG A 7 96.539 -1.341 -10.886 1.00 0.00 C ATOM 92 O ARG A 7 97.603 -1.170 -10.319 1.00 0.00 O ATOM 93 CB ARG A 7 95.847 -2.875 -12.730 1.00 0.00 C ATOM 94 CG ARG A 7 94.388 -2.695 -13.152 1.00 0.00 C ATOM 95 CD ARG A 7 94.293 -2.685 -14.679 1.00 0.00 C ATOM 96 NE ARG A 7 92.915 -3.078 -15.092 1.00 0.00 N ATOM 97 CZ ARG A 7 92.513 -4.312 -14.946 1.00 0.00 C ATOM 98 NH1 ARG A 7 93.316 -5.208 -14.440 1.00 0.00 N ATOM 99 NH2 ARG A 7 91.304 -4.651 -15.304 1.00 0.00 N ATOM 0 HA ARG A 7 95.834 -0.719 -12.819 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.411 -3.356 -13.529 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.907 -3.529 -11.860 1.00 0.00 H new ATOM 0 HG2 ARG A 7 93.779 -3.502 -12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.994 -1.763 -12.747 1.00 0.00 H new ATOM 0 HD2 ARG A 7 94.530 -1.693 -15.063 1.00 0.00 H new ATOM 0 HD3 ARG A 7 95.023 -3.374 -15.104 1.00 0.00 H new ATOM 0 HE ARG A 7 92.285 -2.381 -15.489 1.00 0.00 H new ATOM 0 HH11 ARG A 7 94.260 -4.945 -14.157 1.00 0.00 H new ATOM 0 HH12 ARG A 7 92.999 -6.171 -14.327 1.00 0.00 H new ATOM 0 HH21 ARG A 7 90.674 -3.952 -15.698 1.00 0.00 H new ATOM 0 HH22 ARG A 7 90.990 -5.615 -15.190 1.00 0.00 H new ATOM 113 N MET A 8 95.417 -1.390 -10.223 1.00 0.00 N ATOM 114 CA MET A 8 95.413 -1.233 -8.744 1.00 0.00 C ATOM 115 C MET A 8 96.082 -2.450 -8.092 1.00 0.00 C ATOM 116 O MET A 8 96.710 -2.347 -7.057 1.00 0.00 O ATOM 117 CB MET A 8 93.970 -1.125 -8.249 1.00 0.00 C ATOM 118 CG MET A 8 93.964 -0.706 -6.778 1.00 0.00 C ATOM 119 SD MET A 8 92.689 -1.640 -5.893 1.00 0.00 S ATOM 120 CE MET A 8 93.493 -1.645 -4.271 1.00 0.00 C ATOM 0 H MET A 8 94.499 -1.533 -10.645 1.00 0.00 H new ATOM 0 HA MET A 8 95.963 -0.331 -8.476 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.423 -0.397 -8.848 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.461 -2.082 -8.367 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.941 -0.890 -6.332 1.00 0.00 H new ATOM 0 HG3 MET A 8 93.772 0.364 -6.694 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.884 -2.210 -3.565 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.476 -2.108 -4.354 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.603 -0.620 -3.916 1.00 0.00 H new ATOM 130 N ARG A 9 95.941 -3.605 -8.688 1.00 0.00 N ATOM 131 CA ARG A 9 96.551 -4.838 -8.108 1.00 0.00 C ATOM 132 C ARG A 9 98.067 -4.658 -7.930 1.00 0.00 C ATOM 133 O ARG A 9 98.579 -4.788 -6.834 1.00 0.00 O ATOM 134 CB ARG A 9 96.283 -6.022 -9.040 1.00 0.00 C ATOM 135 CG ARG A 9 95.123 -6.854 -8.487 1.00 0.00 C ATOM 136 CD ARG A 9 94.760 -7.956 -9.484 1.00 0.00 C ATOM 137 NE ARG A 9 95.400 -9.235 -9.067 1.00 0.00 N ATOM 138 CZ ARG A 9 94.873 -9.953 -8.109 1.00 0.00 C ATOM 139 NH1 ARG A 9 93.781 -9.555 -7.513 1.00 0.00 N ATOM 140 NH2 ARG A 9 95.441 -11.070 -7.746 1.00 0.00 N ATOM 0 H ARG A 9 95.426 -3.748 -9.557 1.00 0.00 H new ATOM 0 HA ARG A 9 96.105 -5.026 -7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 9 96.043 -5.664 -10.041 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.177 -6.639 -9.128 1.00 0.00 H new ATOM 0 HG2 ARG A 9 95.402 -7.294 -7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.259 -6.215 -8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 9 93.678 -8.077 -9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 9 95.093 -7.680 -10.484 1.00 0.00 H new ATOM 0 HE ARG A 9 96.252 -9.552 -9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 9 93.336 -8.681 -7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 9 93.373 -10.118 -6.766 1.00 0.00 H new ATOM 0 HH21 ARG A 9 96.295 -11.382 -8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 9 95.032 -11.631 -6.999 1.00 0.00 H new ATOM 154 N PRO A 10 98.741 -4.366 -9.013 1.00 0.00 N ATOM 155 CA PRO A 10 100.201 -4.170 -9.001 1.00 0.00 C ATOM 156 C PRO A 10 100.565 -2.867 -8.287 1.00 0.00 C ATOM 157 O PRO A 10 101.600 -2.765 -7.660 1.00 0.00 O ATOM 158 CB PRO A 10 100.580 -4.135 -10.480 1.00 0.00 C ATOM 159 CG PRO A 10 99.291 -3.771 -11.243 1.00 0.00 C ATOM 160 CD PRO A 10 98.118 -4.189 -10.338 1.00 0.00 C ATOM 0 HA PRO A 10 100.734 -4.953 -8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.363 -3.399 -10.664 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.967 -5.101 -10.806 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.255 -2.703 -11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.247 -4.290 -12.201 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.339 -3.427 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.652 -5.110 -10.687 1.00 0.00 H new ATOM 168 N TRP A 11 99.719 -1.876 -8.358 1.00 0.00 N ATOM 169 CA TRP A 11 100.024 -0.594 -7.661 1.00 0.00 C ATOM 170 C TRP A 11 100.128 -0.858 -6.155 1.00 0.00 C ATOM 171 O TRP A 11 101.003 -0.345 -5.477 1.00 0.00 O ATOM 172 CB TRP A 11 98.895 0.404 -7.928 1.00 0.00 C ATOM 173 CG TRP A 11 99.326 1.782 -7.536 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.963 2.659 -8.348 1.00 0.00 C ATOM 175 CD2 TRP A 11 99.157 2.459 -6.258 1.00 0.00 C ATOM 176 NE1 TRP A 11 100.191 3.831 -7.648 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.714 3.757 -6.358 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.580 2.079 -5.034 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.698 4.646 -5.284 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.564 2.969 -3.948 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.121 4.250 -4.073 1.00 0.00 C ATOM 0 H TRP A 11 98.834 -1.898 -8.865 1.00 0.00 H new ATOM 0 HA TRP A 11 100.965 -0.185 -8.028 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.624 0.385 -8.984 1.00 0.00 H new ATOM 0 HB3 TRP A 11 98.006 0.119 -7.366 1.00 0.00 H new ATOM 0 HD1 TRP A 11 100.247 2.474 -9.374 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.656 4.650 -8.040 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.146 1.096 -4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.127 5.632 -5.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.120 2.665 -3.011 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.104 4.930 -3.234 1.00 0.00 H new ATOM 192 N LEU A 12 99.249 -1.672 -5.629 1.00 0.00 N ATOM 193 CA LEU A 12 99.295 -1.985 -4.177 1.00 0.00 C ATOM 194 C LEU A 12 100.422 -2.979 -3.931 1.00 0.00 C ATOM 195 O LEU A 12 101.111 -2.913 -2.938 1.00 0.00 O ATOM 196 CB LEU A 12 97.963 -2.592 -3.736 1.00 0.00 C ATOM 197 CG LEU A 12 97.377 -1.754 -2.598 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.858 -0.427 -3.153 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.224 -2.517 -1.944 1.00 0.00 C ATOM 0 H LEU A 12 98.501 -2.133 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 12 99.471 -1.074 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.268 -2.622 -4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 12 98.110 -3.621 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 12 98.152 -1.559 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.441 0.169 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 12 97.679 0.118 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.084 -0.621 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.806 -1.920 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.450 -2.713 -2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.593 -3.462 -1.546 1.00 0.00 H new ATOM 211 N GLU A 13 100.628 -3.896 -4.836 1.00 0.00 N ATOM 212 CA GLU A 13 101.733 -4.871 -4.646 1.00 0.00 C ATOM 213 C GLU A 13 103.047 -4.095 -4.591 1.00 0.00 C ATOM 214 O GLU A 13 104.006 -4.507 -3.967 1.00 0.00 O ATOM 215 CB GLU A 13 101.763 -5.853 -5.820 1.00 0.00 C ATOM 216 CG GLU A 13 102.959 -6.795 -5.666 1.00 0.00 C ATOM 217 CD GLU A 13 103.670 -6.944 -7.013 1.00 0.00 C ATOM 218 OE1 GLU A 13 104.368 -6.019 -7.398 1.00 0.00 O ATOM 219 OE2 GLU A 13 103.505 -7.979 -7.637 1.00 0.00 O ATOM 0 H GLU A 13 100.083 -4.010 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 13 101.586 -5.433 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.837 -6.426 -5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.834 -5.309 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.650 -6.403 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.624 -7.769 -5.310 1.00 0.00 H new ATOM 226 N GLU A 14 103.089 -2.961 -5.240 1.00 0.00 N ATOM 227 CA GLU A 14 104.327 -2.134 -5.236 1.00 0.00 C ATOM 228 C GLU A 14 104.419 -1.350 -3.924 1.00 0.00 C ATOM 229 O GLU A 14 105.378 -1.464 -3.192 1.00 0.00 O ATOM 230 CB GLU A 14 104.287 -1.155 -6.412 1.00 0.00 C ATOM 231 CG GLU A 14 104.851 -1.833 -7.662 1.00 0.00 C ATOM 232 CD GLU A 14 106.151 -1.140 -8.075 1.00 0.00 C ATOM 233 OE1 GLU A 14 107.152 -1.361 -7.415 1.00 0.00 O ATOM 234 OE2 GLU A 14 106.122 -0.399 -9.044 1.00 0.00 O ATOM 0 H GLU A 14 102.313 -2.572 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 14 105.197 -2.784 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.263 -0.830 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.868 -0.263 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 14 105.036 -2.889 -7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 14 104.126 -1.783 -8.474 1.00 0.00 H new ATOM 241 N GLN A 15 103.429 -0.552 -3.620 1.00 0.00 N ATOM 242 CA GLN A 15 103.475 0.236 -2.350 1.00 0.00 C ATOM 243 C GLN A 15 103.703 -0.707 -1.165 1.00 0.00 C ATOM 244 O GLN A 15 104.273 -0.334 -0.158 1.00 0.00 O ATOM 245 CB GLN A 15 102.146 0.972 -2.154 1.00 0.00 C ATOM 246 CG GLN A 15 101.842 1.825 -3.385 1.00 0.00 C ATOM 247 CD GLN A 15 102.569 3.165 -3.272 1.00 0.00 C ATOM 248 OE1 GLN A 15 102.431 3.862 -2.287 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.345 3.555 -4.244 1.00 0.00 N ATOM 0 H GLN A 15 102.595 -0.411 -4.191 1.00 0.00 H new ATOM 0 HA GLN A 15 104.291 0.957 -2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.343 0.254 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.196 1.603 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 15 102.158 1.303 -4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.768 1.989 -3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 15 103.460 2.969 -5.071 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.837 4.446 -4.178 1.00 0.00 H new ATOM 258 N ILE A 16 103.257 -1.925 -1.280 1.00 0.00 N ATOM 259 CA ILE A 16 103.432 -2.903 -0.167 1.00 0.00 C ATOM 260 C ILE A 16 104.855 -3.464 -0.197 1.00 0.00 C ATOM 261 O ILE A 16 105.623 -3.281 0.726 1.00 0.00 O ATOM 262 CB ILE A 16 102.423 -4.042 -0.335 1.00 0.00 C ATOM 263 CG1 ILE A 16 101.005 -3.465 -0.357 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.545 -5.021 0.833 1.00 0.00 C ATOM 265 CD1 ILE A 16 100.080 -4.411 -1.126 1.00 0.00 C ATOM 0 H ILE A 16 102.775 -2.290 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 16 103.264 -2.406 0.789 1.00 0.00 H new ATOM 0 HB ILE A 16 102.627 -4.565 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.640 -3.331 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 16 101.009 -2.481 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.824 -5.829 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.553 -5.435 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.345 -4.498 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 16 99.071 -4.000 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.442 -4.523 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.068 -5.385 -0.637 1.00 0.00 H new ATOM 277 N ASN A 17 105.216 -4.147 -1.249 1.00 0.00 N ATOM 278 CA ASN A 17 106.590 -4.718 -1.329 1.00 0.00 C ATOM 279 C ASN A 17 107.610 -3.661 -0.900 1.00 0.00 C ATOM 280 O ASN A 17 108.631 -3.971 -0.319 1.00 0.00 O ATOM 281 CB ASN A 17 106.880 -5.152 -2.768 1.00 0.00 C ATOM 282 CG ASN A 17 107.225 -6.642 -2.792 1.00 0.00 C ATOM 283 OD1 ASN A 17 107.886 -7.139 -1.902 1.00 0.00 O ATOM 284 ND2 ASN A 17 106.802 -7.382 -3.781 1.00 0.00 N ATOM 0 H ASN A 17 104.620 -4.334 -2.055 1.00 0.00 H new ATOM 0 HA ASN A 17 106.662 -5.581 -0.667 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.013 -4.959 -3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.707 -4.570 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.027 -8.377 -3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.247 -6.965 -4.529 1.00 0.00 H new ATOM 291 N SER A 18 107.341 -2.415 -1.178 1.00 0.00 N ATOM 292 CA SER A 18 108.296 -1.341 -0.784 1.00 0.00 C ATOM 293 C SER A 18 108.044 -0.943 0.670 1.00 0.00 C ATOM 294 O SER A 18 108.961 -0.659 1.413 1.00 0.00 O ATOM 295 CB SER A 18 108.101 -0.122 -1.689 1.00 0.00 C ATOM 296 OG SER A 18 106.944 0.591 -1.274 1.00 0.00 O ATOM 0 H SER A 18 106.502 -2.094 -1.661 1.00 0.00 H new ATOM 0 HA SER A 18 109.317 -1.709 -0.889 1.00 0.00 H new ATOM 0 HB2 SER A 18 108.977 0.525 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 18 107.995 -0.438 -2.727 1.00 0.00 H new ATOM 0 HG SER A 18 106.817 1.373 -1.851 1.00 0.00 H new ATOM 302 N ASN A 19 106.803 -0.913 1.075 1.00 0.00 N ATOM 303 CA ASN A 19 106.476 -0.528 2.478 1.00 0.00 C ATOM 304 C ASN A 19 106.594 0.987 2.620 1.00 0.00 C ATOM 305 O ASN A 19 107.607 1.506 3.044 1.00 0.00 O ATOM 306 CB ASN A 19 107.442 -1.210 3.451 1.00 0.00 C ATOM 307 CG ASN A 19 106.891 -1.093 4.874 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.419 -0.045 5.270 1.00 0.00 O ATOM 309 ND2 ASN A 19 106.931 -2.129 5.666 1.00 0.00 N ATOM 0 H ASN A 19 105.998 -1.140 0.491 1.00 0.00 H new ATOM 0 HA ASN A 19 105.459 -0.845 2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 19 107.567 -2.259 3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.426 -0.746 3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 19 106.567 -2.059 6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 19 107.327 -3.009 5.335 1.00 0.00 H new ATOM 316 N THR A 20 105.566 1.700 2.259 1.00 0.00 N ATOM 317 CA THR A 20 105.616 3.181 2.363 1.00 0.00 C ATOM 318 C THR A 20 104.759 3.645 3.540 1.00 0.00 C ATOM 319 O THR A 20 104.858 4.772 3.984 1.00 0.00 O ATOM 320 CB THR A 20 105.087 3.794 1.067 1.00 0.00 C ATOM 321 OG1 THR A 20 104.762 2.756 0.154 1.00 0.00 O ATOM 322 CG2 THR A 20 106.162 4.692 0.461 1.00 0.00 C ATOM 0 H THR A 20 104.692 1.319 1.896 1.00 0.00 H new ATOM 0 HA THR A 20 106.645 3.501 2.525 1.00 0.00 H new ATOM 0 HB THR A 20 104.195 4.384 1.275 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.421 3.147 -0.678 1.00 0.00 H new ATOM 0 HG21 THR A 20 105.790 5.132 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 20 106.413 5.486 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 20 107.053 4.101 0.249 1.00 0.00 H new ATOM 330 N ILE A 21 103.923 2.788 4.056 1.00 0.00 N ATOM 331 CA ILE A 21 103.070 3.191 5.210 1.00 0.00 C ATOM 332 C ILE A 21 103.382 2.283 6.408 1.00 0.00 C ATOM 333 O ILE A 21 103.529 1.086 6.250 1.00 0.00 O ATOM 334 CB ILE A 21 101.584 3.063 4.847 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.415 2.971 3.326 1.00 0.00 C ATOM 336 CG2 ILE A 21 100.828 4.289 5.364 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.728 4.328 2.694 1.00 0.00 C ATOM 0 H ILE A 21 103.793 1.830 3.731 1.00 0.00 H new ATOM 0 HA ILE A 21 103.282 4.230 5.463 1.00 0.00 H new ATOM 0 HB ILE A 21 101.185 2.158 5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.080 2.208 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.397 2.670 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 21 99.772 4.200 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 21 100.934 4.352 6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.238 5.189 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.608 4.262 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.045 5.080 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 21 102.754 4.610 2.928 1.00 0.00 H new ATOM 349 N PRO A 22 103.470 2.879 7.572 1.00 0.00 N ATOM 350 CA PRO A 22 103.768 2.144 8.814 1.00 0.00 C ATOM 351 C PRO A 22 102.539 1.364 9.276 1.00 0.00 C ATOM 352 O PRO A 22 101.813 1.787 10.154 1.00 0.00 O ATOM 353 CB PRO A 22 104.133 3.248 9.810 1.00 0.00 C ATOM 354 CG PRO A 22 103.493 4.548 9.268 1.00 0.00 C ATOM 355 CD PRO A 22 103.269 4.329 7.760 1.00 0.00 C ATOM 0 HA PRO A 22 104.565 1.409 8.700 1.00 0.00 H new ATOM 0 HB2 PRO A 22 103.756 3.014 10.806 1.00 0.00 H new ATOM 0 HB3 PRO A 22 105.215 3.353 9.896 1.00 0.00 H new ATOM 0 HG2 PRO A 22 102.550 4.757 9.774 1.00 0.00 H new ATOM 0 HG3 PRO A 22 104.145 5.404 9.443 1.00 0.00 H new ATOM 0 HD2 PRO A 22 102.268 4.635 7.457 1.00 0.00 H new ATOM 0 HD3 PRO A 22 103.973 4.909 7.164 1.00 0.00 H new ATOM 363 N GLY A 23 102.303 0.227 8.687 1.00 0.00 N ATOM 364 CA GLY A 23 101.122 -0.586 9.081 1.00 0.00 C ATOM 365 C GLY A 23 100.601 -1.346 7.861 1.00 0.00 C ATOM 366 O GLY A 23 99.821 -2.269 7.981 1.00 0.00 O ATOM 0 H GLY A 23 102.879 -0.175 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.395 -1.286 9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.340 0.059 9.483 1.00 0.00 H new ATOM 370 N LEU A 24 101.024 -0.966 6.684 1.00 0.00 N ATOM 371 CA LEU A 24 100.551 -1.669 5.465 1.00 0.00 C ATOM 372 C LEU A 24 101.698 -2.528 4.920 1.00 0.00 C ATOM 373 O LEU A 24 102.794 -2.047 4.708 1.00 0.00 O ATOM 374 CB LEU A 24 100.095 -0.614 4.437 1.00 0.00 C ATOM 375 CG LEU A 24 100.592 -0.970 3.040 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.940 -2.278 2.590 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.224 0.148 2.063 1.00 0.00 C ATOM 0 H LEU A 24 101.676 -0.199 6.519 1.00 0.00 H new ATOM 0 HA LEU A 24 99.707 -2.323 5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.007 -0.548 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.473 0.367 4.724 1.00 0.00 H new ATOM 0 HG LEU A 24 101.675 -1.089 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.293 -2.536 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.205 -3.075 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.857 -2.157 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.580 -0.109 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.141 0.270 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.688 1.080 2.385 1.00 0.00 H new ATOM 389 N LYS A 25 101.464 -3.793 4.691 1.00 0.00 N ATOM 390 CA LYS A 25 102.572 -4.652 4.160 1.00 0.00 C ATOM 391 C LYS A 25 102.114 -6.103 3.966 1.00 0.00 C ATOM 392 O LYS A 25 101.038 -6.488 4.371 1.00 0.00 O ATOM 393 CB LYS A 25 103.744 -4.619 5.138 1.00 0.00 C ATOM 394 CG LYS A 25 103.206 -4.677 6.562 1.00 0.00 C ATOM 395 CD LYS A 25 102.460 -5.995 6.760 1.00 0.00 C ATOM 396 CE LYS A 25 102.622 -6.459 8.209 1.00 0.00 C ATOM 397 NZ LYS A 25 103.494 -7.666 8.249 1.00 0.00 N ATOM 0 H LYS A 25 100.573 -4.265 4.844 1.00 0.00 H new ATOM 0 HA LYS A 25 102.874 -4.259 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.412 -5.461 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.329 -3.711 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.025 -4.597 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.538 -3.835 6.747 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.404 -5.867 6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.849 -6.752 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 25 103.058 -5.662 8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.647 -6.687 8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 103.073 -8.377 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.583 -8.062 7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.436 -7.402 8.603 1.00 0.00 H new ATOM 411 N TRP A 26 102.939 -6.911 3.340 1.00 0.00 N ATOM 412 CA TRP A 26 102.576 -8.341 3.104 1.00 0.00 C ATOM 413 C TRP A 26 102.871 -9.175 4.353 1.00 0.00 C ATOM 414 O TRP A 26 104.016 -9.430 4.669 1.00 0.00 O ATOM 415 CB TRP A 26 103.437 -8.920 1.969 1.00 0.00 C ATOM 416 CG TRP A 26 103.067 -8.324 0.650 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.845 -7.476 -0.057 1.00 0.00 C ATOM 418 CD2 TRP A 26 101.867 -8.539 -0.146 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.190 -7.135 -1.225 1.00 0.00 N ATOM 420 CE2 TRP A 26 101.966 -7.768 -1.328 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.712 -9.313 0.045 1.00 0.00 C ATOM 422 CZ2 TRP A 26 100.953 -7.765 -2.287 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.689 -9.317 -0.918 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.810 -8.544 -2.083 1.00 0.00 C ATOM 0 H TRP A 26 103.853 -6.636 2.981 1.00 0.00 H new ATOM 0 HA TRP A 26 101.516 -8.379 2.853 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.490 -8.729 2.175 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.311 -10.002 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.821 -7.122 0.242 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.564 -6.495 -1.925 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.609 -9.910 0.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.051 -7.166 -3.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 98.805 -9.918 -0.761 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.021 -8.551 -2.821 1.00 0.00 H new ATOM 435 N LEU A 27 101.871 -9.653 5.042 1.00 0.00 N ATOM 436 CA LEU A 27 102.169 -10.518 6.216 1.00 0.00 C ATOM 437 C LEU A 27 102.828 -11.771 5.660 1.00 0.00 C ATOM 438 O LEU A 27 103.675 -12.388 6.273 1.00 0.00 O ATOM 439 CB LEU A 27 100.883 -10.911 6.944 1.00 0.00 C ATOM 440 CG LEU A 27 99.896 -9.747 6.941 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.796 -10.034 7.964 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.624 -8.453 7.317 1.00 0.00 C ATOM 0 H LEU A 27 100.883 -9.487 4.849 1.00 0.00 H new ATOM 0 HA LEU A 27 102.807 -9.994 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.434 -11.779 6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 27 101.112 -11.200 7.970 1.00 0.00 H new ATOM 0 HG LEU A 27 99.460 -9.633 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.083 -9.210 7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.281 -10.956 7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.239 -10.141 8.954 1.00 0.00 H new ATOM 0 HD21 LEU A 27 99.917 -7.624 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.059 -8.556 8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.416 -8.257 6.594 1.00 0.00 H new ATOM 454 N ASN A 28 102.434 -12.121 4.468 1.00 0.00 N ATOM 455 CA ASN A 28 103.000 -13.305 3.779 1.00 0.00 C ATOM 456 C ASN A 28 102.900 -13.047 2.275 1.00 0.00 C ATOM 457 O ASN A 28 102.067 -13.610 1.590 1.00 0.00 O ATOM 458 CB ASN A 28 102.199 -14.556 4.150 1.00 0.00 C ATOM 459 CG ASN A 28 103.140 -15.608 4.741 1.00 0.00 C ATOM 460 OD1 ASN A 28 103.382 -16.633 4.135 1.00 0.00 O ATOM 461 ND2 ASN A 28 103.685 -15.396 5.908 1.00 0.00 N ATOM 0 H ASN A 28 101.725 -11.620 3.932 1.00 0.00 H new ATOM 0 HA ASN A 28 104.037 -13.466 4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.421 -14.302 4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 28 101.698 -14.955 3.268 1.00 0.00 H new ATOM 0 HD21 ASN A 28 104.314 -16.091 6.311 1.00 0.00 H new ATOM 0 HD22 ASN A 28 103.482 -14.536 6.417 1.00 0.00 H new ATOM 468 N LYS A 29 103.727 -12.175 1.761 1.00 0.00 N ATOM 469 CA LYS A 29 103.670 -11.864 0.306 1.00 0.00 C ATOM 470 C LYS A 29 103.767 -13.169 -0.485 1.00 0.00 C ATOM 471 O LYS A 29 103.190 -13.309 -1.543 1.00 0.00 O ATOM 472 CB LYS A 29 104.824 -10.929 -0.068 1.00 0.00 C ATOM 473 CG LYS A 29 104.469 -10.165 -1.344 1.00 0.00 C ATOM 474 CD LYS A 29 104.666 -11.074 -2.557 1.00 0.00 C ATOM 475 CE LYS A 29 103.314 -11.320 -3.228 1.00 0.00 C ATOM 476 NZ LYS A 29 103.262 -10.579 -4.521 1.00 0.00 N ATOM 0 H LYS A 29 104.438 -11.666 2.287 1.00 0.00 H new ATOM 0 HA LYS A 29 102.729 -11.367 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 29 105.017 -10.230 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 29 105.738 -11.504 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 29 103.436 -9.821 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 29 105.096 -9.278 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 29 105.357 -10.613 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 29 105.110 -12.021 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 29 103.170 -12.386 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 29 102.506 -10.991 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 102.343 -10.745 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 103.382 -9.561 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 104.025 -10.913 -5.144 1.00 0.00 H new ATOM 490 N GLU A 30 104.479 -14.134 0.030 1.00 0.00 N ATOM 491 CA GLU A 30 104.591 -15.436 -0.684 1.00 0.00 C ATOM 492 C GLU A 30 103.185 -15.988 -0.919 1.00 0.00 C ATOM 493 O GLU A 30 102.824 -16.356 -2.019 1.00 0.00 O ATOM 494 CB GLU A 30 105.391 -16.422 0.174 1.00 0.00 C ATOM 495 CG GLU A 30 105.299 -17.829 -0.428 1.00 0.00 C ATOM 496 CD GLU A 30 106.624 -18.181 -1.110 1.00 0.00 C ATOM 497 OE1 GLU A 30 106.918 -17.585 -2.132 1.00 0.00 O ATOM 498 OE2 GLU A 30 107.319 -19.044 -0.599 1.00 0.00 O ATOM 0 H GLU A 30 104.987 -14.077 0.913 1.00 0.00 H new ATOM 0 HA GLU A 30 105.100 -15.296 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.433 -16.108 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 30 105.005 -16.427 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 30 105.075 -18.556 0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.483 -17.875 -1.149 1.00 0.00 H new ATOM 505 N LYS A 31 102.387 -16.044 0.113 1.00 0.00 N ATOM 506 CA LYS A 31 101.002 -16.565 -0.040 1.00 0.00 C ATOM 507 C LYS A 31 100.086 -15.441 -0.536 1.00 0.00 C ATOM 508 O LYS A 31 98.928 -15.657 -0.829 1.00 0.00 O ATOM 509 CB LYS A 31 100.506 -17.086 1.309 1.00 0.00 C ATOM 510 CG LYS A 31 101.267 -18.362 1.673 1.00 0.00 C ATOM 511 CD LYS A 31 100.434 -19.193 2.650 1.00 0.00 C ATOM 512 CE LYS A 31 101.333 -19.722 3.770 1.00 0.00 C ATOM 513 NZ LYS A 31 101.350 -21.212 3.732 1.00 0.00 N ATOM 0 H LYS A 31 102.637 -15.750 1.057 1.00 0.00 H new ATOM 0 HA LYS A 31 100.992 -17.379 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.653 -16.329 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.436 -17.289 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 31 101.477 -18.941 0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 31 102.228 -18.109 2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 31 99.633 -18.584 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 31 99.962 -20.024 2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 31 102.345 -19.333 3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 31 100.968 -19.376 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 101.961 -21.572 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 100.384 -21.574 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 101.717 -21.532 2.813 1.00 0.00 H new ATOM 527 N LYS A 32 100.608 -14.245 -0.647 1.00 0.00 N ATOM 528 CA LYS A 32 99.793 -13.096 -1.146 1.00 0.00 C ATOM 529 C LYS A 32 98.876 -12.550 -0.046 1.00 0.00 C ATOM 530 O LYS A 32 97.699 -12.340 -0.265 1.00 0.00 O ATOM 531 CB LYS A 32 98.939 -13.538 -2.340 1.00 0.00 C ATOM 532 CG LYS A 32 99.798 -14.329 -3.331 1.00 0.00 C ATOM 533 CD LYS A 32 100.679 -13.366 -4.131 1.00 0.00 C ATOM 534 CE LYS A 32 99.808 -12.284 -4.773 1.00 0.00 C ATOM 535 NZ LYS A 32 100.228 -12.088 -6.188 1.00 0.00 N ATOM 0 H LYS A 32 101.573 -14.014 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 32 100.480 -12.307 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.107 -14.152 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.509 -12.666 -2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 32 100.420 -15.047 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.160 -14.900 -4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 32 101.421 -12.908 -3.477 1.00 0.00 H new ATOM 0 HD3 LYS A 32 101.225 -13.911 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 32 98.758 -12.574 -4.730 1.00 0.00 H new ATOM 0 HE3 LYS A 32 99.903 -11.349 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 99.672 -11.318 -6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 101.238 -11.843 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 100.067 -12.966 -6.723 1.00 0.00 H new ATOM 549 N ILE A 33 99.395 -12.289 1.125 1.00 0.00 N ATOM 550 CA ILE A 33 98.523 -11.727 2.200 1.00 0.00 C ATOM 551 C ILE A 33 99.073 -10.369 2.641 1.00 0.00 C ATOM 552 O ILE A 33 100.236 -10.236 2.969 1.00 0.00 O ATOM 553 CB ILE A 33 98.476 -12.665 3.402 1.00 0.00 C ATOM 554 CG1 ILE A 33 97.860 -14.002 2.983 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.614 -12.025 4.494 1.00 0.00 C ATOM 556 CD1 ILE A 33 98.819 -14.733 2.041 1.00 0.00 C ATOM 0 H ILE A 33 100.371 -12.438 1.382 1.00 0.00 H new ATOM 0 HA ILE A 33 97.513 -11.612 1.805 1.00 0.00 H new ATOM 0 HB ILE A 33 99.484 -12.837 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.660 -14.614 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 33 96.904 -13.835 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.573 -12.687 5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.049 -11.070 4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.606 -11.862 4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.381 -15.685 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 33 98.996 -14.122 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 33 99.764 -14.913 2.553 1.00 0.00 H new ATOM 568 N PHE A 34 98.251 -9.356 2.648 1.00 0.00 N ATOM 569 CA PHE A 34 98.738 -8.009 3.060 1.00 0.00 C ATOM 570 C PHE A 34 97.740 -7.341 4.007 1.00 0.00 C ATOM 571 O PHE A 34 96.548 -7.356 3.781 1.00 0.00 O ATOM 572 CB PHE A 34 98.920 -7.130 1.816 1.00 0.00 C ATOM 573 CG PHE A 34 97.576 -6.640 1.316 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.628 -7.551 0.829 1.00 0.00 C ATOM 575 CD2 PHE A 34 97.281 -5.270 1.332 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.390 -7.093 0.361 1.00 0.00 C ATOM 577 CE2 PHE A 34 96.042 -4.812 0.865 1.00 0.00 C ATOM 578 CZ PHE A 34 95.098 -5.724 0.379 1.00 0.00 C ATOM 0 H PHE A 34 97.266 -9.402 2.387 1.00 0.00 H new ATOM 0 HA PHE A 34 99.690 -8.126 3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.559 -6.280 2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.422 -7.697 1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 34 96.853 -8.607 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 34 98.010 -4.566 1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.661 -7.796 -0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.816 -3.756 0.880 1.00 0.00 H new ATOM 0 HZ PHE A 34 94.143 -5.371 0.018 1.00 0.00 H new ATOM 588 N GLN A 35 98.228 -6.731 5.055 1.00 0.00 N ATOM 589 CA GLN A 35 97.321 -6.035 6.003 1.00 0.00 C ATOM 590 C GLN A 35 97.532 -4.528 5.859 1.00 0.00 C ATOM 591 O GLN A 35 98.639 -4.066 5.661 1.00 0.00 O ATOM 592 CB GLN A 35 97.617 -6.489 7.446 1.00 0.00 C ATOM 593 CG GLN A 35 98.682 -5.593 8.089 1.00 0.00 C ATOM 594 CD GLN A 35 99.278 -6.296 9.309 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.968 -7.441 9.577 1.00 0.00 O ATOM 596 NE2 GLN A 35 100.130 -5.658 10.065 1.00 0.00 N ATOM 0 H GLN A 35 99.219 -6.687 5.292 1.00 0.00 H new ATOM 0 HA GLN A 35 96.283 -6.281 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.702 -6.456 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 35 97.959 -7.524 7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.467 -5.369 7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 35 98.240 -4.642 8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 35 100.391 -4.698 9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 35 100.535 -6.120 10.879 1.00 0.00 H new ATOM 605 N ILE A 36 96.484 -3.762 5.949 1.00 0.00 N ATOM 606 CA ILE A 36 96.630 -2.286 5.813 1.00 0.00 C ATOM 607 C ILE A 36 96.246 -1.635 7.148 1.00 0.00 C ATOM 608 O ILE A 36 95.411 -2.158 7.854 1.00 0.00 O ATOM 609 CB ILE A 36 95.689 -1.802 4.702 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.248 -2.221 3.342 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.545 -0.279 4.742 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.242 -1.858 2.248 1.00 0.00 C ATOM 0 H ILE A 36 95.533 -4.092 6.111 1.00 0.00 H new ATOM 0 HA ILE A 36 97.656 -2.018 5.560 1.00 0.00 H new ATOM 0 HB ILE A 36 94.708 -2.252 4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.199 -1.722 3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.443 -3.293 3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.874 0.044 3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 36 95.136 0.023 5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.522 0.183 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.638 -2.155 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.302 -2.378 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 36 95.069 -0.782 2.255 1.00 0.00 H new ATOM 624 N PRO A 37 96.877 -0.526 7.464 1.00 0.00 N ATOM 625 CA PRO A 37 96.619 0.210 8.719 1.00 0.00 C ATOM 626 C PRO A 37 95.368 1.093 8.624 1.00 0.00 C ATOM 627 O PRO A 37 94.604 1.183 9.564 1.00 0.00 O ATOM 628 CB PRO A 37 97.862 1.066 8.891 1.00 0.00 C ATOM 629 CG PRO A 37 98.490 1.222 7.484 1.00 0.00 C ATOM 630 CD PRO A 37 97.917 0.088 6.614 1.00 0.00 C ATOM 0 HA PRO A 37 96.433 -0.463 9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.607 2.039 9.312 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.564 0.595 9.579 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.248 2.196 7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.577 1.158 7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.497 0.472 5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.687 -0.634 6.342 1.00 0.00 H new ATOM 638 N TRP A 38 95.135 1.741 7.511 1.00 0.00 N ATOM 639 CA TRP A 38 93.913 2.594 7.410 1.00 0.00 C ATOM 640 C TRP A 38 94.033 3.759 8.393 1.00 0.00 C ATOM 641 O TRP A 38 95.119 4.161 8.760 1.00 0.00 O ATOM 642 CB TRP A 38 92.701 1.740 7.769 1.00 0.00 C ATOM 643 CG TRP A 38 92.834 0.457 7.032 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.501 -0.627 7.472 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.332 0.125 5.715 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.443 -1.605 6.498 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.726 -1.190 5.399 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.575 0.832 4.779 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.388 -1.781 4.186 1.00 0.00 C ATOM 650 CZ3 TRP A 38 91.228 0.250 3.557 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.634 -1.059 3.257 1.00 0.00 C ATOM 0 H TRP A 38 95.727 1.718 6.681 1.00 0.00 H new ATOM 0 HA TRP A 38 93.804 2.988 6.400 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.659 1.564 8.844 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.777 2.248 7.493 1.00 0.00 H new ATOM 0 HD1 TRP A 38 93.998 -0.717 8.427 1.00 0.00 H new ATOM 0 HE1 TRP A 38 93.879 -2.523 6.583 1.00 0.00 H new ATOM 0 HE3 TRP A 38 91.254 1.839 5.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.706 -2.789 3.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.645 0.810 2.841 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.365 -1.507 2.312 1.00 0.00 H new ATOM 865 N ALA A 52 98.027 8.983 5.651 1.00 0.00 N ATOM 866 CA ALA A 52 97.637 10.152 4.815 1.00 0.00 C ATOM 867 C ALA A 52 98.158 10.041 3.363 1.00 0.00 C ATOM 868 O ALA A 52 97.549 10.608 2.478 1.00 0.00 O ATOM 869 CB ALA A 52 98.182 11.429 5.445 1.00 0.00 C ATOM 0 HA ALA A 52 96.548 10.174 4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 52 97.898 12.286 4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 52 97.770 11.545 6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 52 99.269 11.370 5.504 1.00 0.00 H new ATOM 875 N PRO A 53 99.250 9.331 3.121 1.00 0.00 N ATOM 876 CA PRO A 53 99.777 9.200 1.752 1.00 0.00 C ATOM 877 C PRO A 53 98.852 8.290 0.950 1.00 0.00 C ATOM 878 O PRO A 53 97.874 7.816 1.477 1.00 0.00 O ATOM 879 CB PRO A 53 101.177 8.609 1.943 1.00 0.00 C ATOM 880 CG PRO A 53 101.180 7.939 3.333 1.00 0.00 C ATOM 881 CD PRO A 53 100.039 8.592 4.137 1.00 0.00 C ATOM 0 HA PRO A 53 99.830 10.137 1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 53 101.402 7.883 1.161 1.00 0.00 H new ATOM 0 HB3 PRO A 53 101.938 9.387 1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.026 6.863 3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.138 8.085 3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.431 7.843 4.645 1.00 0.00 H new ATOM 0 HD3 PRO A 53 100.426 9.262 4.904 1.00 0.00 H new ATOM 889 N LEU A 54 99.137 8.079 -0.315 1.00 0.00 N ATOM 890 CA LEU A 54 98.247 7.232 -1.186 1.00 0.00 C ATOM 891 C LEU A 54 97.078 8.102 -1.580 1.00 0.00 C ATOM 892 O LEU A 54 96.968 8.583 -2.691 1.00 0.00 O ATOM 893 CB LEU A 54 97.681 6.016 -0.448 1.00 0.00 C ATOM 894 CG LEU A 54 98.768 4.997 -0.148 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.046 5.690 0.325 1.00 0.00 C ATOM 896 CD2 LEU A 54 98.249 4.090 0.959 1.00 0.00 C ATOM 0 H LEU A 54 99.956 8.460 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 54 98.832 6.868 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.214 6.338 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 54 96.901 5.552 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 54 99.004 4.430 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 54 100.810 4.941 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 54 100.403 6.365 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 54 99.838 6.258 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 54 99.005 3.343 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 54 98.030 4.686 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 54 97.340 3.590 0.624 1.00 0.00 H new ATOM 908 N PHE A 55 96.229 8.326 -0.633 1.00 0.00 N ATOM 909 CA PHE A 55 95.058 9.190 -0.821 1.00 0.00 C ATOM 910 C PHE A 55 95.441 10.381 -1.710 1.00 0.00 C ATOM 911 O PHE A 55 94.618 10.945 -2.397 1.00 0.00 O ATOM 912 CB PHE A 55 94.677 9.689 0.563 1.00 0.00 C ATOM 913 CG PHE A 55 93.909 8.631 1.307 1.00 0.00 C ATOM 914 CD1 PHE A 55 92.528 8.513 1.137 1.00 0.00 C ATOM 915 CD2 PHE A 55 94.585 7.776 2.182 1.00 0.00 C ATOM 916 CE1 PHE A 55 91.821 7.533 1.840 1.00 0.00 C ATOM 917 CE2 PHE A 55 93.881 6.798 2.887 1.00 0.00 C ATOM 918 CZ PHE A 55 92.497 6.674 2.717 1.00 0.00 C ATOM 0 H PHE A 55 96.307 7.926 0.302 1.00 0.00 H new ATOM 0 HA PHE A 55 94.234 8.657 -1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.575 9.956 1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.074 10.593 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 55 92.007 9.178 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 55 95.653 7.872 2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 55 90.753 7.438 1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 55 94.404 6.138 3.563 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.951 5.917 3.261 1.00 0.00 H new ATOM 928 N ARG A 56 96.691 10.770 -1.696 1.00 0.00 N ATOM 929 CA ARG A 56 97.129 11.914 -2.544 1.00 0.00 C ATOM 930 C ARG A 56 97.288 11.430 -3.988 1.00 0.00 C ATOM 931 O ARG A 56 96.679 11.962 -4.896 1.00 0.00 O ATOM 932 CB ARG A 56 98.467 12.446 -2.028 1.00 0.00 C ATOM 933 CG ARG A 56 98.548 13.952 -2.283 1.00 0.00 C ATOM 934 CD ARG A 56 98.527 14.217 -3.791 1.00 0.00 C ATOM 935 NE ARG A 56 98.535 15.687 -4.037 1.00 0.00 N ATOM 936 CZ ARG A 56 99.649 16.361 -3.935 1.00 0.00 C ATOM 937 NH1 ARG A 56 100.760 15.752 -3.617 1.00 0.00 N ATOM 938 NH2 ARG A 56 99.652 17.648 -4.156 1.00 0.00 N ATOM 0 H ARG A 56 97.426 10.343 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 56 96.387 12.712 -2.504 1.00 0.00 H new ATOM 0 HB2 ARG A 56 98.566 12.241 -0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 56 99.291 11.937 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 56 97.711 14.458 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 56 99.460 14.357 -1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 56 99.392 13.753 -4.265 1.00 0.00 H new ATOM 0 HD3 ARG A 56 97.640 13.767 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 56 97.670 16.167 -4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 56 100.760 14.746 -3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.628 16.282 -3.538 1.00 0.00 H new ATOM 0 HH21 ARG A 56 98.786 18.124 -4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 56 100.521 18.177 -4.077 1.00 0.00 H new ATOM 952 N ASN A 57 98.087 10.411 -4.208 1.00 0.00 N ATOM 953 CA ASN A 57 98.263 9.880 -5.596 1.00 0.00 C ATOM 954 C ASN A 57 96.893 9.822 -6.253 1.00 0.00 C ATOM 955 O ASN A 57 96.740 10.026 -7.441 1.00 0.00 O ATOM 956 CB ASN A 57 98.855 8.473 -5.542 1.00 0.00 C ATOM 957 CG ASN A 57 99.934 8.427 -4.477 1.00 0.00 C ATOM 958 OD1 ASN A 57 100.730 9.337 -4.352 1.00 0.00 O ATOM 959 ND2 ASN A 57 99.993 7.397 -3.699 1.00 0.00 N ATOM 0 H ASN A 57 98.623 9.926 -3.488 1.00 0.00 H new ATOM 0 HA ASN A 57 98.936 10.524 -6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 57 98.075 7.746 -5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.273 8.204 -6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 57 100.710 7.345 -2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 57 99.322 6.636 -3.808 1.00 0.00 H new ATOM 966 N TRP A 58 95.893 9.561 -5.466 1.00 0.00 N ATOM 967 CA TRP A 58 94.507 9.503 -6.011 1.00 0.00 C ATOM 968 C TRP A 58 94.274 10.766 -6.847 1.00 0.00 C ATOM 969 O TRP A 58 94.916 11.777 -6.640 1.00 0.00 O ATOM 970 CB TRP A 58 93.499 9.491 -4.860 1.00 0.00 C ATOM 971 CG TRP A 58 93.209 8.099 -4.387 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.969 7.636 -4.109 1.00 0.00 C ATOM 973 CD2 TRP A 58 94.128 6.994 -4.105 1.00 0.00 C ATOM 974 NE1 TRP A 58 92.062 6.331 -3.673 1.00 0.00 N ATOM 975 CE2 TRP A 58 93.367 5.890 -3.654 1.00 0.00 C ATOM 976 CE3 TRP A 58 95.524 6.837 -4.192 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.966 4.684 -3.301 1.00 0.00 C ATOM 978 CZ3 TRP A 58 96.126 5.621 -3.839 1.00 0.00 C ATOM 979 CH2 TRP A 58 95.350 4.547 -3.393 1.00 0.00 C ATOM 0 H TRP A 58 95.972 9.384 -4.465 1.00 0.00 H new ATOM 0 HA TRP A 58 94.382 8.603 -6.613 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.887 10.083 -4.031 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.572 9.965 -5.184 1.00 0.00 H new ATOM 0 HD1 TRP A 58 91.053 8.198 -4.212 1.00 0.00 H new ATOM 0 HE1 TRP A 58 91.262 5.761 -3.398 1.00 0.00 H new ATOM 0 HE3 TRP A 58 96.136 7.659 -4.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 93.361 3.858 -2.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 97.198 5.513 -3.912 1.00 0.00 H new ATOM 0 HH2 TRP A 58 95.821 3.614 -3.121 1.00 0.00 H new ATOM 990 N ALA A 59 93.361 10.730 -7.778 1.00 0.00 N ATOM 991 CA ALA A 59 93.098 11.944 -8.604 1.00 0.00 C ATOM 992 C ALA A 59 94.219 12.131 -9.631 1.00 0.00 C ATOM 993 O ALA A 59 94.191 13.043 -10.434 1.00 0.00 O ATOM 994 CB ALA A 59 93.039 13.171 -7.691 1.00 0.00 C ATOM 0 H ALA A 59 92.788 9.917 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 59 92.149 11.824 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.847 14.061 -8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.238 13.044 -6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 59 93.990 13.283 -7.170 1.00 0.00 H new ATOM 1000 N ILE A 60 95.203 11.276 -9.615 1.00 0.00 N ATOM 1001 CA ILE A 60 96.321 11.403 -10.592 1.00 0.00 C ATOM 1002 C ILE A 60 96.680 10.014 -11.117 1.00 0.00 C ATOM 1003 O ILE A 60 96.457 9.697 -12.269 1.00 0.00 O ATOM 1004 CB ILE A 60 97.542 12.021 -9.903 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.079 12.979 -8.801 1.00 0.00 C ATOM 1006 CG2 ILE A 60 98.372 12.791 -10.932 1.00 0.00 C ATOM 1007 CD1 ILE A 60 96.439 14.217 -9.435 1.00 0.00 C ATOM 0 H ILE A 60 95.282 10.493 -8.966 1.00 0.00 H new ATOM 0 HA ILE A 60 96.015 12.044 -11.419 1.00 0.00 H new ATOM 0 HB ILE A 60 98.149 11.230 -9.463 1.00 0.00 H new ATOM 0 HG12 ILE A 60 96.362 12.480 -8.148 1.00 0.00 H new ATOM 0 HG13 ILE A 60 97.926 13.272 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.241 13.231 -10.443 1.00 0.00 H new ATOM 0 HG22 ILE A 60 98.703 12.110 -11.716 1.00 0.00 H new ATOM 0 HG23 ILE A 60 97.764 13.582 -11.372 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.110 14.898 -8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 60 97.169 14.720 -10.069 1.00 0.00 H new ATOM 0 HD13 ILE A 60 95.582 13.916 -10.037 1.00 0.00 H new ATOM 1019 N HIS A 61 97.226 9.178 -10.276 1.00 0.00 N ATOM 1020 CA HIS A 61 97.591 7.805 -10.719 1.00 0.00 C ATOM 1021 C HIS A 61 96.351 7.111 -11.288 1.00 0.00 C ATOM 1022 O HIS A 61 96.381 6.551 -12.366 1.00 0.00 O ATOM 1023 CB HIS A 61 98.119 7.011 -9.521 1.00 0.00 C ATOM 1024 CG HIS A 61 98.210 5.556 -9.881 1.00 0.00 C ATOM 1025 ND1 HIS A 61 99.162 5.070 -10.764 1.00 0.00 N ATOM 1026 CD2 HIS A 61 97.472 4.467 -9.487 1.00 0.00 C ATOM 1027 CE1 HIS A 61 98.974 3.743 -10.871 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.957 3.323 -10.114 1.00 0.00 N ATOM 0 H HIS A 61 97.435 9.388 -9.300 1.00 0.00 H new ATOM 0 HA HIS A 61 98.362 7.859 -11.488 1.00 0.00 H new ATOM 0 HB2 HIS A 61 99.100 7.385 -9.228 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.458 7.143 -8.664 1.00 0.00 H new ATOM 0 HD2 HIS A 61 96.642 4.494 -8.796 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.573 3.095 -11.494 1.00 0.00 H new ATOM 0 HE2 HIS A 61 97.610 2.369 -10.016 1.00 0.00 H new ATOM 1036 N THR A 62 95.261 7.144 -10.571 1.00 0.00 N ATOM 1037 CA THR A 62 94.020 6.488 -11.072 1.00 0.00 C ATOM 1038 C THR A 62 93.566 7.177 -12.362 1.00 0.00 C ATOM 1039 O THR A 62 92.948 6.572 -13.215 1.00 0.00 O ATOM 1040 CB THR A 62 92.913 6.608 -10.020 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.481 7.959 -9.942 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.440 6.161 -8.655 1.00 0.00 C ATOM 0 H THR A 62 95.176 7.596 -9.661 1.00 0.00 H new ATOM 0 HA THR A 62 94.223 5.435 -11.268 1.00 0.00 H new ATOM 0 HB THR A 62 92.076 5.971 -10.306 1.00 0.00 H new ATOM 0 HG1 THR A 62 92.025 8.108 -9.087 1.00 0.00 H new ATOM 0 HG21 THR A 62 92.647 6.249 -7.912 1.00 0.00 H new ATOM 0 HG22 THR A 62 93.768 5.123 -8.714 1.00 0.00 H new ATOM 0 HG23 THR A 62 94.280 6.792 -8.365 1.00 0.00 H new ATOM 1050 N GLY A 63 93.865 8.440 -12.510 1.00 0.00 N ATOM 1051 CA GLY A 63 93.446 9.168 -13.743 1.00 0.00 C ATOM 1052 C GLY A 63 91.998 9.631 -13.591 1.00 0.00 C ATOM 1053 O GLY A 63 91.108 9.154 -14.267 1.00 0.00 O ATOM 0 H GLY A 63 94.381 8.999 -11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.098 10.025 -13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.542 8.518 -14.613 1.00 0.00 H new ATOM 1057 N LYS A 64 91.753 10.557 -12.703 1.00 0.00 N ATOM 1058 CA LYS A 64 90.359 11.047 -12.501 1.00 0.00 C ATOM 1059 C LYS A 64 90.390 12.523 -12.100 1.00 0.00 C ATOM 1060 O LYS A 64 89.465 13.033 -11.502 1.00 0.00 O ATOM 1061 CB LYS A 64 89.692 10.234 -11.389 1.00 0.00 C ATOM 1062 CG LYS A 64 89.187 8.906 -11.957 1.00 0.00 C ATOM 1063 CD LYS A 64 90.041 7.760 -11.413 1.00 0.00 C ATOM 1064 CE LYS A 64 89.443 6.420 -11.845 1.00 0.00 C ATOM 1065 NZ LYS A 64 88.711 5.808 -10.700 1.00 0.00 N ATOM 0 H LYS A 64 92.457 10.995 -12.109 1.00 0.00 H new ATOM 0 HA LYS A 64 89.796 10.933 -13.427 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.402 10.050 -10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 64 88.863 10.797 -10.960 1.00 0.00 H new ATOM 0 HG2 LYS A 64 88.142 8.756 -11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 64 89.233 8.923 -13.046 1.00 0.00 H new ATOM 0 HD2 LYS A 64 91.063 7.849 -11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 64 90.089 7.814 -10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 64 88.766 6.567 -12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 64 90.233 5.750 -12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 88.305 4.897 -10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 89.369 5.654 -9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 87.947 6.445 -10.396 1.00 0.00 H new ATOM 1079 N HIS A 65 91.449 13.214 -12.422 1.00 0.00 N ATOM 1080 CA HIS A 65 91.537 14.656 -12.057 1.00 0.00 C ATOM 1081 C HIS A 65 92.902 15.205 -12.483 1.00 0.00 C ATOM 1082 O HIS A 65 93.874 14.483 -12.578 1.00 0.00 O ATOM 1083 CB HIS A 65 91.358 14.807 -10.536 1.00 0.00 C ATOM 1084 CG HIS A 65 91.990 16.090 -10.059 1.00 0.00 C ATOM 1085 ND1 HIS A 65 91.307 17.295 -10.050 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.248 16.368 -9.583 1.00 0.00 C ATOM 1087 CE1 HIS A 65 92.150 18.235 -9.584 1.00 0.00 C ATOM 1088 NE2 HIS A 65 93.345 17.723 -9.283 1.00 0.00 N ATOM 0 H HIS A 65 92.257 12.842 -12.922 1.00 0.00 H new ATOM 0 HA HIS A 65 90.753 15.216 -12.567 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.297 14.801 -10.286 1.00 0.00 H new ATOM 0 HB3 HIS A 65 91.811 13.958 -10.024 1.00 0.00 H new ATOM 0 HD1 HIS A 65 90.341 17.443 -10.343 1.00 0.00 H new ATOM 0 HD2 HIS A 65 94.041 15.645 -9.460 1.00 0.00 H new ATOM 0 HE1 HIS A 65 91.891 19.277 -9.468 1.00 0.00 H new ATOM 1096 N GLN A 66 92.980 16.483 -12.731 1.00 0.00 N ATOM 1097 CA GLN A 66 94.274 17.091 -13.138 1.00 0.00 C ATOM 1098 C GLN A 66 94.492 18.372 -12.322 1.00 0.00 C ATOM 1099 O GLN A 66 93.596 19.185 -12.209 1.00 0.00 O ATOM 1100 CB GLN A 66 94.233 17.433 -14.629 1.00 0.00 C ATOM 1101 CG GLN A 66 94.408 16.155 -15.453 1.00 0.00 C ATOM 1102 CD GLN A 66 93.581 16.258 -16.735 1.00 0.00 C ATOM 1103 OE1 GLN A 66 92.933 15.308 -17.132 1.00 0.00 O ATOM 1104 NE2 GLN A 66 93.576 17.376 -17.406 1.00 0.00 N ATOM 0 H GLN A 66 92.198 17.134 -12.668 1.00 0.00 H new ATOM 0 HA GLN A 66 95.089 16.390 -12.956 1.00 0.00 H new ATOM 0 HB2 GLN A 66 93.285 17.911 -14.877 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.022 18.145 -14.871 1.00 0.00 H new ATOM 0 HG2 GLN A 66 95.460 16.008 -15.697 1.00 0.00 H new ATOM 0 HG3 GLN A 66 94.092 15.289 -14.872 1.00 0.00 H new ATOM 0 HE21 GLN A 66 94.119 18.173 -17.074 1.00 0.00 H new ATOM 0 HE22 GLN A 66 93.029 17.454 -18.263 1.00 0.00 H new ATOM 1113 N PRO A 67 95.671 18.513 -11.770 1.00 0.00 N ATOM 1114 CA PRO A 67 96.022 19.686 -10.951 1.00 0.00 C ATOM 1115 C PRO A 67 96.321 20.896 -11.842 1.00 0.00 C ATOM 1116 O PRO A 67 97.106 20.821 -12.766 1.00 0.00 O ATOM 1117 CB PRO A 67 97.274 19.234 -10.195 1.00 0.00 C ATOM 1118 CG PRO A 67 97.889 18.078 -11.020 1.00 0.00 C ATOM 1119 CD PRO A 67 96.760 17.525 -11.910 1.00 0.00 C ATOM 0 HA PRO A 67 95.219 19.999 -10.284 1.00 0.00 H new ATOM 0 HB2 PRO A 67 97.982 20.056 -10.090 1.00 0.00 H new ATOM 0 HB3 PRO A 67 97.021 18.901 -9.188 1.00 0.00 H new ATOM 0 HG2 PRO A 67 98.721 18.435 -11.627 1.00 0.00 H new ATOM 0 HG3 PRO A 67 98.282 17.301 -10.365 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.081 17.430 -12.947 1.00 0.00 H new ATOM 0 HD3 PRO A 67 96.444 16.535 -11.583 1.00 0.00 H new ATOM 1127 N GLY A 68 95.700 22.012 -11.567 1.00 0.00 N ATOM 1128 CA GLY A 68 95.945 23.229 -12.394 1.00 0.00 C ATOM 1129 C GLY A 68 94.965 23.257 -13.569 1.00 0.00 C ATOM 1130 O GLY A 68 94.505 24.304 -13.980 1.00 0.00 O ATOM 0 H GLY A 68 95.033 22.133 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 68 95.824 24.125 -11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 68 96.971 23.230 -12.763 1.00 0.00 H new ATOM 1134 N ILE A 69 94.643 22.116 -14.113 1.00 0.00 N ATOM 1135 CA ILE A 69 93.693 22.081 -15.262 1.00 0.00 C ATOM 1136 C ILE A 69 92.303 21.689 -14.760 1.00 0.00 C ATOM 1137 O ILE A 69 91.318 21.828 -15.458 1.00 0.00 O ATOM 1138 CB ILE A 69 94.170 21.053 -16.290 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.533 21.477 -16.841 1.00 0.00 C ATOM 1140 CG2 ILE A 69 93.160 20.974 -17.435 1.00 0.00 C ATOM 1141 CD1 ILE A 69 96.609 20.503 -16.351 1.00 0.00 C ATOM 0 H ILE A 69 94.996 21.207 -13.813 1.00 0.00 H new ATOM 0 HA ILE A 69 93.650 23.066 -15.727 1.00 0.00 H new ATOM 0 HB ILE A 69 94.259 20.076 -15.814 1.00 0.00 H new ATOM 0 HG12 ILE A 69 95.508 21.490 -17.931 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.769 22.490 -16.516 1.00 0.00 H new ATOM 0 HG21 ILE A 69 93.498 20.242 -18.169 1.00 0.00 H new ATOM 0 HG22 ILE A 69 92.188 20.673 -17.043 1.00 0.00 H new ATOM 0 HG23 ILE A 69 93.072 21.951 -17.911 1.00 0.00 H new ATOM 0 HD11 ILE A 69 97.580 20.806 -16.744 1.00 0.00 H new ATOM 0 HD12 ILE A 69 96.639 20.513 -15.261 1.00 0.00 H new ATOM 0 HD13 ILE A 69 96.375 19.497 -16.699 1.00 0.00 H new ATOM 1153 N ASP A 70 92.215 21.199 -13.555 1.00 0.00 N ATOM 1154 CA ASP A 70 90.888 20.798 -13.009 1.00 0.00 C ATOM 1155 C ASP A 70 90.848 21.089 -11.506 1.00 0.00 C ATOM 1156 O ASP A 70 91.867 21.284 -10.875 1.00 0.00 O ATOM 1157 CB ASP A 70 90.671 19.302 -13.246 1.00 0.00 C ATOM 1158 CG ASP A 70 89.277 19.069 -13.832 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.592 20.045 -14.089 1.00 0.00 O ATOM 1160 OD2 ASP A 70 88.919 17.917 -14.016 1.00 0.00 O ATOM 0 H ASP A 70 93.004 21.059 -12.924 1.00 0.00 H new ATOM 0 HA ASP A 70 90.101 21.362 -13.510 1.00 0.00 H new ATOM 0 HB2 ASP A 70 91.431 18.918 -13.927 1.00 0.00 H new ATOM 0 HB3 ASP A 70 90.778 18.756 -12.308 1.00 0.00 H new ATOM 1165 N LYS A 71 89.677 21.118 -10.930 1.00 0.00 N ATOM 1166 CA LYS A 71 89.572 21.397 -9.470 1.00 0.00 C ATOM 1167 C LYS A 71 89.867 20.115 -8.684 1.00 0.00 C ATOM 1168 O LYS A 71 89.538 19.032 -9.125 1.00 0.00 O ATOM 1169 CB LYS A 71 88.155 21.876 -9.145 1.00 0.00 C ATOM 1170 CG LYS A 71 88.209 23.308 -8.610 1.00 0.00 C ATOM 1171 CD LYS A 71 86.936 24.053 -9.017 1.00 0.00 C ATOM 1172 CE LYS A 71 86.767 25.294 -8.140 1.00 0.00 C ATOM 1173 NZ LYS A 71 87.885 26.243 -8.405 1.00 0.00 N ATOM 0 H LYS A 71 88.789 20.961 -11.407 1.00 0.00 H new ATOM 0 HA LYS A 71 90.291 22.168 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 71 87.532 21.834 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 71 87.698 21.218 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 71 88.306 23.299 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 71 89.086 23.822 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 71 86.991 24.342 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 71 86.070 23.399 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.811 25.774 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 71 86.758 25.011 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.678 27.158 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 88.768 25.857 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 87.991 26.377 -9.431 1.00 0.00 H new ATOM 1187 N PRO A 72 90.479 20.279 -7.538 1.00 0.00 N ATOM 1188 CA PRO A 72 90.833 19.149 -6.663 1.00 0.00 C ATOM 1189 C PRO A 72 89.597 18.661 -5.906 1.00 0.00 C ATOM 1190 O PRO A 72 88.750 19.440 -5.515 1.00 0.00 O ATOM 1191 CB PRO A 72 91.863 19.748 -5.701 1.00 0.00 C ATOM 1192 CG PRO A 72 91.625 21.277 -5.705 1.00 0.00 C ATOM 1193 CD PRO A 72 90.872 21.601 -7.011 1.00 0.00 C ATOM 0 HA PRO A 72 91.219 18.287 -7.206 1.00 0.00 H new ATOM 0 HB2 PRO A 72 91.742 19.339 -4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 72 92.878 19.512 -6.022 1.00 0.00 H new ATOM 0 HG2 PRO A 72 91.042 21.581 -4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 72 92.571 21.817 -5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 72 90.002 22.230 -6.824 1.00 0.00 H new ATOM 0 HD3 PRO A 72 91.508 22.138 -7.715 1.00 0.00 H new ATOM 1201 N ASP A 73 89.484 17.380 -5.699 1.00 0.00 N ATOM 1202 CA ASP A 73 88.302 16.846 -4.971 1.00 0.00 C ATOM 1203 C ASP A 73 88.758 15.817 -3.935 1.00 0.00 C ATOM 1204 O ASP A 73 88.863 14.642 -4.233 1.00 0.00 O ATOM 1205 CB ASP A 73 87.348 16.183 -5.968 1.00 0.00 C ATOM 1206 CG ASP A 73 86.506 17.257 -6.660 1.00 0.00 C ATOM 1207 OD1 ASP A 73 87.089 18.137 -7.273 1.00 0.00 O ATOM 1208 OD2 ASP A 73 85.292 17.183 -6.566 1.00 0.00 O ATOM 0 H ASP A 73 90.160 16.679 -6.003 1.00 0.00 H new ATOM 0 HA ASP A 73 87.788 17.663 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.914 15.617 -6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.700 15.475 -5.452 1.00 0.00 H new ATOM 1213 N PRO A 74 89.012 16.291 -2.741 1.00 0.00 N ATOM 1214 CA PRO A 74 89.456 15.438 -1.625 1.00 0.00 C ATOM 1215 C PRO A 74 88.267 14.667 -1.044 1.00 0.00 C ATOM 1216 O PRO A 74 88.413 13.873 -0.136 1.00 0.00 O ATOM 1217 CB PRO A 74 90.010 16.439 -0.607 1.00 0.00 C ATOM 1218 CG PRO A 74 89.350 17.800 -0.930 1.00 0.00 C ATOM 1219 CD PRO A 74 88.875 17.721 -2.394 1.00 0.00 C ATOM 0 HA PRO A 74 90.191 14.689 -1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 74 89.778 16.127 0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.095 16.507 -0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 74 88.512 17.993 -0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 74 90.060 18.616 -0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 74 87.844 18.059 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 74 89.483 18.349 -3.045 1.00 0.00 H new ATOM 1227 N LYS A 75 87.093 14.900 -1.561 1.00 0.00 N ATOM 1228 CA LYS A 75 85.893 14.188 -1.042 1.00 0.00 C ATOM 1229 C LYS A 75 85.784 12.813 -1.706 1.00 0.00 C ATOM 1230 O LYS A 75 85.816 11.792 -1.049 1.00 0.00 O ATOM 1231 CB LYS A 75 84.643 15.010 -1.363 1.00 0.00 C ATOM 1232 CG LYS A 75 83.528 14.655 -0.379 1.00 0.00 C ATOM 1233 CD LYS A 75 82.550 13.687 -1.048 1.00 0.00 C ATOM 1234 CE LYS A 75 81.202 14.382 -1.251 1.00 0.00 C ATOM 1235 NZ LYS A 75 80.609 13.943 -2.546 1.00 0.00 N ATOM 0 H LYS A 75 86.913 15.554 -2.322 1.00 0.00 H new ATOM 0 HA LYS A 75 85.982 14.060 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.870 16.074 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.317 14.811 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 75 83.950 14.201 0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 75 83.005 15.558 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 75 82.948 13.356 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 75 82.423 12.797 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 75 80.528 14.140 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 75 81.334 15.464 -1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 79.693 14.414 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 81.250 14.195 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 80.470 12.912 -2.532 1.00 0.00 H new ATOM 1249 N THR A 76 85.653 12.778 -3.006 1.00 0.00 N ATOM 1250 CA THR A 76 85.538 11.469 -3.710 1.00 0.00 C ATOM 1251 C THR A 76 86.851 10.693 -3.576 1.00 0.00 C ATOM 1252 O THR A 76 86.877 9.484 -3.664 1.00 0.00 O ATOM 1253 CB THR A 76 85.240 11.709 -5.192 1.00 0.00 C ATOM 1254 OG1 THR A 76 84.060 12.491 -5.317 1.00 0.00 O ATOM 1255 CG2 THR A 76 85.043 10.367 -5.899 1.00 0.00 C ATOM 0 H THR A 76 85.621 13.600 -3.610 1.00 0.00 H new ATOM 0 HA THR A 76 84.729 10.892 -3.263 1.00 0.00 H new ATOM 0 HB THR A 76 86.076 12.238 -5.649 1.00 0.00 H new ATOM 0 HG1 THR A 76 83.870 12.647 -6.266 1.00 0.00 H new ATOM 0 HG21 THR A 76 84.831 10.539 -6.954 1.00 0.00 H new ATOM 0 HG22 THR A 76 85.949 9.769 -5.804 1.00 0.00 H new ATOM 0 HG23 THR A 76 84.208 9.835 -5.443 1.00 0.00 H new ATOM 1263 N TRP A 77 87.941 11.380 -3.369 1.00 0.00 N ATOM 1264 CA TRP A 77 89.250 10.676 -3.235 1.00 0.00 C ATOM 1265 C TRP A 77 89.172 9.646 -2.105 1.00 0.00 C ATOM 1266 O TRP A 77 89.724 8.567 -2.197 1.00 0.00 O ATOM 1267 CB TRP A 77 90.344 11.695 -2.906 1.00 0.00 C ATOM 1268 CG TRP A 77 90.604 12.564 -4.094 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.070 12.386 -5.323 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.455 13.743 -4.184 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.539 13.380 -6.163 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.396 14.242 -5.507 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.264 14.421 -3.255 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.116 15.374 -5.894 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 92.988 15.561 -3.641 1.00 0.00 C ATOM 1276 CH2 TRP A 77 92.914 16.035 -4.958 1.00 0.00 C ATOM 0 H TRP A 77 87.983 12.396 -3.287 1.00 0.00 H new ATOM 0 HA TRP A 77 89.482 10.171 -4.173 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.040 12.307 -2.057 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.259 11.178 -2.615 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.388 11.597 -5.603 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.283 13.466 -7.147 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.329 14.063 -2.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.056 15.736 -6.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 93.605 16.075 -2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.474 16.911 -5.249 1.00 0.00 H new ATOM 1287 N LYS A 78 88.501 9.973 -1.035 1.00 0.00 N ATOM 1288 CA LYS A 78 88.400 9.021 0.109 1.00 0.00 C ATOM 1289 C LYS A 78 87.568 7.798 -0.292 1.00 0.00 C ATOM 1290 O LYS A 78 87.796 6.703 0.183 1.00 0.00 O ATOM 1291 CB LYS A 78 87.730 9.727 1.290 1.00 0.00 C ATOM 1292 CG LYS A 78 87.832 8.848 2.538 1.00 0.00 C ATOM 1293 CD LYS A 78 86.732 7.788 2.507 1.00 0.00 C ATOM 1294 CE LYS A 78 85.791 7.995 3.693 1.00 0.00 C ATOM 1295 NZ LYS A 78 84.379 7.842 3.238 1.00 0.00 N ATOM 0 H LYS A 78 88.017 10.861 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 78 89.400 8.691 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.209 10.689 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 78 86.684 9.929 1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 78 88.811 8.370 2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 78 87.737 9.460 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 78 86.176 7.853 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 78 87.171 6.791 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 78 86.012 7.271 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 78 85.941 8.986 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 83.737 7.983 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 84.172 8.549 2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 84.241 6.888 2.848 1.00 0.00 H new ATOM 1309 N ALA A 79 86.605 7.972 -1.153 1.00 0.00 N ATOM 1310 CA ALA A 79 85.760 6.815 -1.569 1.00 0.00 C ATOM 1311 C ALA A 79 86.553 5.897 -2.502 1.00 0.00 C ATOM 1312 O ALA A 79 86.629 4.702 -2.299 1.00 0.00 O ATOM 1313 CB ALA A 79 84.519 7.333 -2.301 1.00 0.00 C ATOM 0 H ALA A 79 86.366 8.863 -1.587 1.00 0.00 H new ATOM 0 HA ALA A 79 85.460 6.253 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.899 6.490 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.948 7.981 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.825 7.897 -3.182 1.00 0.00 H new ATOM 1319 N ASN A 80 87.135 6.447 -3.530 1.00 0.00 N ATOM 1320 CA ASN A 80 87.915 5.615 -4.491 1.00 0.00 C ATOM 1321 C ASN A 80 88.759 4.580 -3.740 1.00 0.00 C ATOM 1322 O ASN A 80 88.838 3.434 -4.134 1.00 0.00 O ATOM 1323 CB ASN A 80 88.837 6.520 -5.310 1.00 0.00 C ATOM 1324 CG ASN A 80 87.999 7.565 -6.049 1.00 0.00 C ATOM 1325 OD1 ASN A 80 88.421 8.692 -6.216 1.00 0.00 O ATOM 1326 ND2 ASN A 80 86.820 7.237 -6.506 1.00 0.00 N ATOM 0 H ASN A 80 87.104 7.443 -3.748 1.00 0.00 H new ATOM 0 HA ASN A 80 87.221 5.093 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 80 89.557 7.012 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 80 89.408 5.926 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.255 7.927 -7.002 1.00 0.00 H new ATOM 0 HD22 ASN A 80 86.464 6.291 -6.367 1.00 0.00 H new ATOM 1333 N PHE A 81 89.403 4.970 -2.673 1.00 0.00 N ATOM 1334 CA PHE A 81 90.250 3.997 -1.925 1.00 0.00 C ATOM 1335 C PHE A 81 89.373 2.919 -1.284 1.00 0.00 C ATOM 1336 O PHE A 81 89.690 1.747 -1.321 1.00 0.00 O ATOM 1337 CB PHE A 81 91.042 4.724 -0.838 1.00 0.00 C ATOM 1338 CG PHE A 81 92.411 4.098 -0.719 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.592 2.745 -1.037 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.500 4.869 -0.296 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.860 2.164 -0.932 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.770 4.287 -0.192 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.950 2.935 -0.509 1.00 0.00 C ATOM 0 H PHE A 81 89.380 5.915 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 81 90.942 3.526 -2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 81 91.133 5.782 -1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.516 4.662 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.752 2.150 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 81 93.361 5.911 -0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.998 1.121 -1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.611 4.882 0.133 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.929 2.487 -0.427 1.00 0.00 H new ATOM 1353 N ARG A 82 88.275 3.300 -0.691 1.00 0.00 N ATOM 1354 CA ARG A 82 87.390 2.286 -0.053 1.00 0.00 C ATOM 1355 C ARG A 82 86.967 1.256 -1.104 1.00 0.00 C ATOM 1356 O ARG A 82 86.661 0.123 -0.790 1.00 0.00 O ATOM 1357 CB ARG A 82 86.150 2.976 0.519 1.00 0.00 C ATOM 1358 CG ARG A 82 85.556 2.117 1.638 1.00 0.00 C ATOM 1359 CD ARG A 82 86.513 2.094 2.834 1.00 0.00 C ATOM 1360 NE ARG A 82 85.818 2.637 4.038 1.00 0.00 N ATOM 1361 CZ ARG A 82 86.492 2.878 5.131 1.00 0.00 C ATOM 1362 NH1 ARG A 82 87.776 2.643 5.177 1.00 0.00 N ATOM 1363 NH2 ARG A 82 85.881 3.351 6.183 1.00 0.00 N ATOM 0 H ARG A 82 87.954 4.266 -0.621 1.00 0.00 H new ATOM 0 HA ARG A 82 87.926 1.786 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 82 86.414 3.961 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.411 3.129 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 82 84.588 2.517 1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.383 1.103 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 82 86.850 1.075 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 82 87.401 2.688 2.615 1.00 0.00 H new ATOM 0 HE ARG A 82 84.815 2.820 4.007 1.00 0.00 H new ATOM 0 HH11 ARG A 82 88.256 2.270 4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 82 88.299 2.832 6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 82 84.878 3.532 6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 82 86.407 3.539 7.037 1.00 0.00 H new ATOM 1377 N CYS A 83 86.955 1.640 -2.353 1.00 0.00 N ATOM 1378 CA CYS A 83 86.561 0.681 -3.422 1.00 0.00 C ATOM 1379 C CYS A 83 87.641 -0.397 -3.542 1.00 0.00 C ATOM 1380 O CYS A 83 87.359 -1.551 -3.799 1.00 0.00 O ATOM 1381 CB CYS A 83 86.421 1.426 -4.753 1.00 0.00 C ATOM 1382 SG CYS A 83 85.595 3.013 -4.472 1.00 0.00 S ATOM 0 H CYS A 83 87.201 2.575 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 83 85.606 0.218 -3.173 1.00 0.00 H new ATOM 0 HB2 CYS A 83 87.403 1.589 -5.196 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.848 0.826 -5.460 1.00 0.00 H new ATOM 0 HG CYS A 83 86.022 3.534 -3.360 1.00 0.00 H new ATOM 1388 N ALA A 84 88.878 -0.030 -3.347 1.00 0.00 N ATOM 1389 CA ALA A 84 89.980 -1.029 -3.437 1.00 0.00 C ATOM 1390 C ALA A 84 89.644 -2.224 -2.544 1.00 0.00 C ATOM 1391 O ALA A 84 90.132 -3.318 -2.745 1.00 0.00 O ATOM 1392 CB ALA A 84 91.286 -0.385 -2.969 1.00 0.00 C ATOM 0 H ALA A 84 89.174 0.921 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 84 90.094 -1.365 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 84 92.094 -1.113 -3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 84 91.517 0.471 -3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 84 91.178 -0.053 -1.936 1.00 0.00 H new ATOM 1398 N MET A 85 88.806 -2.023 -1.566 1.00 0.00 N ATOM 1399 CA MET A 85 88.426 -3.148 -0.666 1.00 0.00 C ATOM 1400 C MET A 85 87.220 -3.871 -1.261 1.00 0.00 C ATOM 1401 O MET A 85 87.078 -5.071 -1.141 1.00 0.00 O ATOM 1402 CB MET A 85 88.064 -2.600 0.716 1.00 0.00 C ATOM 1403 CG MET A 85 89.301 -1.960 1.346 1.00 0.00 C ATOM 1404 SD MET A 85 89.396 -0.222 0.851 1.00 0.00 S ATOM 1405 CE MET A 85 91.138 -0.220 0.362 1.00 0.00 C ATOM 0 H MET A 85 88.367 -1.128 -1.351 1.00 0.00 H new ATOM 0 HA MET A 85 89.262 -3.841 -0.568 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.264 -1.865 0.630 1.00 0.00 H new ATOM 0 HB3 MET A 85 87.692 -3.403 1.352 1.00 0.00 H new ATOM 0 HG2 MET A 85 89.251 -2.038 2.432 1.00 0.00 H new ATOM 0 HG3 MET A 85 90.199 -2.490 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.699 0.448 1.016 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.540 -1.230 0.444 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.226 0.123 -0.669 1.00 0.00 H new ATOM 1415 N ASN A 86 86.353 -3.148 -1.913 1.00 0.00 N ATOM 1416 CA ASN A 86 85.163 -3.797 -2.525 1.00 0.00 C ATOM 1417 C ASN A 86 85.549 -4.368 -3.897 1.00 0.00 C ATOM 1418 O ASN A 86 84.705 -4.757 -4.679 1.00 0.00 O ATOM 1419 CB ASN A 86 84.029 -2.766 -2.651 1.00 0.00 C ATOM 1420 CG ASN A 86 84.097 -2.054 -4.003 1.00 0.00 C ATOM 1421 OD1 ASN A 86 85.093 -1.444 -4.337 1.00 0.00 O ATOM 1422 ND2 ASN A 86 83.068 -2.111 -4.797 1.00 0.00 N ATOM 0 H ASN A 86 86.417 -2.139 -2.048 1.00 0.00 H new ATOM 0 HA ASN A 86 84.813 -4.616 -1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 86 83.065 -3.263 -2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 86 84.103 -2.036 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 86 83.096 -1.643 -5.703 1.00 0.00 H new ATOM 0 HD22 ASN A 86 82.233 -2.624 -4.514 1.00 0.00 H new ATOM 1429 N SER A 87 86.825 -4.423 -4.193 1.00 0.00 N ATOM 1430 CA SER A 87 87.265 -4.971 -5.504 1.00 0.00 C ATOM 1431 C SER A 87 87.957 -6.310 -5.286 1.00 0.00 C ATOM 1432 O SER A 87 87.852 -6.888 -4.228 1.00 0.00 O ATOM 1433 CB SER A 87 88.233 -3.992 -6.171 1.00 0.00 C ATOM 1434 OG SER A 87 88.262 -4.242 -7.569 1.00 0.00 O ATOM 0 H SER A 87 87.578 -4.111 -3.580 1.00 0.00 H new ATOM 0 HA SER A 87 86.398 -5.113 -6.149 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.920 -2.966 -5.980 1.00 0.00 H new ATOM 0 HB3 SER A 87 89.231 -4.105 -5.749 1.00 0.00 H new ATOM 0 HG SER A 87 88.880 -3.616 -8.001 1.00 0.00 H new ATOM 1440 N LEU A 88 88.656 -6.795 -6.287 1.00 0.00 N ATOM 1441 CA LEU A 88 89.368 -8.112 -6.182 1.00 0.00 C ATOM 1442 C LEU A 88 88.599 -9.062 -5.243 1.00 0.00 C ATOM 1443 O LEU A 88 88.665 -8.933 -4.035 1.00 0.00 O ATOM 1444 CB LEU A 88 90.793 -7.900 -5.640 1.00 0.00 C ATOM 1445 CG LEU A 88 91.141 -6.404 -5.575 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.712 -5.827 -4.221 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.654 -6.232 -5.739 1.00 0.00 C ATOM 0 H LEU A 88 88.765 -6.327 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 88 89.421 -8.557 -7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.877 -8.340 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.509 -8.416 -6.279 1.00 0.00 H new ATOM 0 HG LEU A 88 90.617 -5.877 -6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.962 -4.767 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.636 -5.951 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 88 91.233 -6.352 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.907 -5.173 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 88 93.169 -6.763 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.964 -6.638 -6.702 1.00 0.00 H new ATOM 1459 N PRO A 89 87.885 -9.997 -5.827 1.00 0.00 N ATOM 1460 CA PRO A 89 87.072 -10.972 -5.065 1.00 0.00 C ATOM 1461 C PRO A 89 87.929 -12.023 -4.341 1.00 0.00 C ATOM 1462 O PRO A 89 87.485 -13.125 -4.090 1.00 0.00 O ATOM 1463 CB PRO A 89 86.193 -11.621 -6.137 1.00 0.00 C ATOM 1464 CG PRO A 89 86.915 -11.402 -7.486 1.00 0.00 C ATOM 1465 CD PRO A 89 87.835 -10.182 -7.292 1.00 0.00 C ATOM 0 HA PRO A 89 86.503 -10.492 -4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.058 -12.684 -5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.201 -11.171 -6.150 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.492 -12.283 -7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.197 -11.224 -8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.828 -10.362 -7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.437 -9.299 -7.792 1.00 0.00 H new ATOM 1473 N ASP A 90 89.138 -11.692 -3.979 1.00 0.00 N ATOM 1474 CA ASP A 90 89.990 -12.665 -3.252 1.00 0.00 C ATOM 1475 C ASP A 90 90.609 -11.961 -2.041 1.00 0.00 C ATOM 1476 O ASP A 90 91.427 -12.521 -1.339 1.00 0.00 O ATOM 1477 CB ASP A 90 91.098 -13.173 -4.179 1.00 0.00 C ATOM 1478 CG ASP A 90 90.588 -14.383 -4.964 1.00 0.00 C ATOM 1479 OD1 ASP A 90 90.198 -15.352 -4.333 1.00 0.00 O ATOM 1480 OD2 ASP A 90 90.598 -14.321 -6.182 1.00 0.00 O ATOM 0 H ASP A 90 89.571 -10.786 -4.158 1.00 0.00 H new ATOM 0 HA ASP A 90 89.391 -13.514 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 90 91.404 -12.383 -4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 90 91.977 -13.448 -3.596 1.00 0.00 H new ATOM 1485 N ILE A 91 90.231 -10.729 -1.793 1.00 0.00 N ATOM 1486 CA ILE A 91 90.806 -9.995 -0.631 1.00 0.00 C ATOM 1487 C ILE A 91 90.022 -10.352 0.641 1.00 0.00 C ATOM 1488 O ILE A 91 88.810 -10.422 0.634 1.00 0.00 O ATOM 1489 CB ILE A 91 90.756 -8.471 -0.896 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.530 -7.828 -0.246 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.685 -8.184 -2.395 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.573 -6.321 -0.515 1.00 0.00 C ATOM 0 H ILE A 91 89.552 -10.206 -2.345 1.00 0.00 H new ATOM 0 HA ILE A 91 91.847 -10.286 -0.493 1.00 0.00 H new ATOM 0 HB ILE A 91 91.666 -8.051 -0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 91 88.615 -8.260 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 91 89.524 -8.022 0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.651 -7.107 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.566 -8.598 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.788 -8.643 -2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.705 -5.845 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.484 -5.901 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.561 -6.143 -1.590 1.00 0.00 H new ATOM 1504 N GLU A 92 90.708 -10.581 1.732 1.00 0.00 N ATOM 1505 CA GLU A 92 89.999 -10.935 2.998 1.00 0.00 C ATOM 1506 C GLU A 92 90.299 -9.886 4.074 1.00 0.00 C ATOM 1507 O GLU A 92 91.285 -9.966 4.778 1.00 0.00 O ATOM 1508 CB GLU A 92 90.471 -12.310 3.476 1.00 0.00 C ATOM 1509 CG GLU A 92 89.258 -13.185 3.800 1.00 0.00 C ATOM 1510 CD GLU A 92 88.938 -14.076 2.599 1.00 0.00 C ATOM 1511 OE1 GLU A 92 89.492 -13.832 1.540 1.00 0.00 O ATOM 1512 OE2 GLU A 92 88.144 -14.989 2.759 1.00 0.00 O ATOM 0 H GLU A 92 91.725 -10.538 1.801 1.00 0.00 H new ATOM 0 HA GLU A 92 88.925 -10.960 2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 92 91.079 -12.785 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 92 91.101 -12.203 4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 92 89.462 -13.798 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 92 88.399 -12.559 4.042 1.00 0.00 H new ATOM 1519 N GLU A 93 89.450 -8.904 4.206 1.00 0.00 N ATOM 1520 CA GLU A 93 89.680 -7.847 5.234 1.00 0.00 C ATOM 1521 C GLU A 93 89.517 -8.436 6.638 1.00 0.00 C ATOM 1522 O GLU A 93 88.471 -8.942 6.989 1.00 0.00 O ATOM 1523 CB GLU A 93 88.664 -6.717 5.033 1.00 0.00 C ATOM 1524 CG GLU A 93 87.298 -7.141 5.578 1.00 0.00 C ATOM 1525 CD GLU A 93 86.198 -6.376 4.840 1.00 0.00 C ATOM 1526 OE1 GLU A 93 86.183 -5.160 4.936 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.391 -7.019 4.189 1.00 0.00 O ATOM 0 H GLU A 93 88.606 -8.787 3.646 1.00 0.00 H new ATOM 0 HA GLU A 93 90.692 -7.457 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 93 89.004 -5.815 5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.583 -6.473 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 93 87.160 -8.214 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.242 -6.939 6.648 1.00 0.00 H new ATOM 1534 N VAL A 94 90.539 -8.368 7.449 1.00 0.00 N ATOM 1535 CA VAL A 94 90.426 -8.921 8.830 1.00 0.00 C ATOM 1536 C VAL A 94 90.922 -7.881 9.843 1.00 0.00 C ATOM 1537 O VAL A 94 92.070 -7.891 10.244 1.00 0.00 O ATOM 1538 CB VAL A 94 91.267 -10.193 8.945 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.289 -10.660 10.401 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.658 -11.291 8.069 1.00 0.00 C ATOM 0 H VAL A 94 91.443 -7.956 7.217 1.00 0.00 H new ATOM 0 HA VAL A 94 89.383 -9.159 9.039 1.00 0.00 H new ATOM 0 HB VAL A 94 92.284 -9.985 8.613 1.00 0.00 H new ATOM 0 HG11 VAL A 94 91.888 -11.567 10.483 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.723 -9.880 11.027 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.271 -10.867 10.732 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.258 -12.197 8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.640 -11.498 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.641 -10.960 7.030 1.00 0.00 H new ATOM 1550 N LYS A 95 90.066 -6.981 10.254 1.00 0.00 N ATOM 1551 CA LYS A 95 90.483 -5.938 11.238 1.00 0.00 C ATOM 1552 C LYS A 95 89.843 -6.219 12.594 1.00 0.00 C ATOM 1553 O LYS A 95 89.531 -5.311 13.339 1.00 0.00 O ATOM 1554 CB LYS A 95 90.003 -4.580 10.752 1.00 0.00 C ATOM 1555 CG LYS A 95 88.478 -4.616 10.675 1.00 0.00 C ATOM 1556 CD LYS A 95 87.935 -3.199 10.492 1.00 0.00 C ATOM 1557 CE LYS A 95 87.217 -2.762 11.770 1.00 0.00 C ATOM 1558 NZ LYS A 95 87.653 -1.385 12.137 1.00 0.00 N ATOM 0 H LYS A 95 89.094 -6.924 9.950 1.00 0.00 H new ATOM 0 HA LYS A 95 91.569 -5.949 11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 95 90.331 -3.794 11.432 1.00 0.00 H new ATOM 0 HB3 LYS A 95 90.428 -4.353 9.774 1.00 0.00 H new ATOM 0 HG2 LYS A 95 88.162 -5.247 9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 95 88.069 -5.057 11.584 1.00 0.00 H new ATOM 0 HD2 LYS A 95 88.750 -2.511 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 95 87.248 -3.167 9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 95 86.138 -2.786 11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 95 87.441 -3.455 12.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 87.166 -1.087 13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 88.681 -1.377 12.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 87.417 -0.729 11.365 1.00 0.00 H new ATOM 1727 N PHE A 106 94.906 -3.405 12.170 1.00 0.00 N ATOM 1728 CA PHE A 106 94.831 -3.034 10.727 1.00 0.00 C ATOM 1729 C PHE A 106 93.891 -4.000 10.013 1.00 0.00 C ATOM 1730 O PHE A 106 93.692 -5.115 10.452 1.00 0.00 O ATOM 1731 CB PHE A 106 96.204 -3.138 10.048 1.00 0.00 C ATOM 1732 CG PHE A 106 97.276 -3.521 11.022 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.527 -4.866 11.283 1.00 0.00 C ATOM 1734 CD2 PHE A 106 98.038 -2.529 11.641 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.540 -5.226 12.170 1.00 0.00 C ATOM 1736 CE2 PHE A 106 99.055 -2.883 12.526 1.00 0.00 C ATOM 1737 CZ PHE A 106 99.310 -4.234 12.795 1.00 0.00 C ATOM 0 HA PHE A 106 94.475 -2.005 10.665 1.00 0.00 H new ATOM 0 HB2 PHE A 106 96.159 -3.876 9.247 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.455 -2.183 9.587 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.937 -5.630 10.798 1.00 0.00 H new ATOM 0 HD2 PHE A 106 97.840 -1.488 11.434 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.732 -6.269 12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.646 -2.116 13.004 1.00 0.00 H new ATOM 0 HZ PHE A 106 100.097 -4.511 13.481 1.00 0.00 H new ATOM 1747 N ARG A 107 93.336 -3.611 8.896 1.00 0.00 N ATOM 1748 CA ARG A 107 92.453 -4.561 8.166 1.00 0.00 C ATOM 1749 C ARG A 107 93.355 -5.533 7.414 1.00 0.00 C ATOM 1750 O ARG A 107 93.830 -5.249 6.329 1.00 0.00 O ATOM 1751 CB ARG A 107 91.541 -3.827 7.170 1.00 0.00 C ATOM 1752 CG ARG A 107 90.591 -2.893 7.922 1.00 0.00 C ATOM 1753 CD ARG A 107 90.037 -1.840 6.960 1.00 0.00 C ATOM 1754 NE ARG A 107 88.556 -1.759 7.120 1.00 0.00 N ATOM 1755 CZ ARG A 107 87.834 -1.108 6.248 1.00 0.00 C ATOM 1756 NH1 ARG A 107 88.404 -0.525 5.229 1.00 0.00 N ATOM 1757 NH2 ARG A 107 86.540 -1.039 6.395 1.00 0.00 N ATOM 0 H ARG A 107 93.453 -2.694 8.465 1.00 0.00 H new ATOM 0 HA ARG A 107 91.809 -5.082 8.875 1.00 0.00 H new ATOM 0 HB2 ARG A 107 92.144 -3.255 6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 107 90.969 -4.549 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.774 -3.465 8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 107 91.117 -2.408 8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 107 90.490 -0.870 7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 107 90.290 -2.100 5.932 1.00 0.00 H new ATOM 0 HE ARG A 107 88.105 -2.214 7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 107 89.416 -0.577 5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 107 87.838 -0.017 4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 107 86.092 -1.493 7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 107 85.976 -0.531 5.714 1.00 0.00 H new ATOM 1771 N VAL A 108 93.620 -6.671 7.991 1.00 0.00 N ATOM 1772 CA VAL A 108 94.502 -7.649 7.313 1.00 0.00 C ATOM 1773 C VAL A 108 93.776 -8.193 6.087 1.00 0.00 C ATOM 1774 O VAL A 108 92.883 -9.013 6.187 1.00 0.00 O ATOM 1775 CB VAL A 108 94.866 -8.773 8.281 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.026 -9.580 7.708 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.301 -8.163 9.614 1.00 0.00 C ATOM 0 H VAL A 108 93.263 -6.962 8.901 1.00 0.00 H new ATOM 0 HA VAL A 108 95.427 -7.169 6.994 1.00 0.00 H new ATOM 0 HB VAL A 108 94.002 -9.421 8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.287 -10.383 8.398 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.733 -10.007 6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.888 -8.928 7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.563 -8.960 10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 108 96.167 -7.521 9.455 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.483 -7.573 10.028 1.00 0.00 H new ATOM 1787 N TYR A 109 94.138 -7.710 4.930 1.00 0.00 N ATOM 1788 CA TYR A 109 93.469 -8.154 3.678 1.00 0.00 C ATOM 1789 C TYR A 109 94.222 -9.332 3.064 1.00 0.00 C ATOM 1790 O TYR A 109 95.304 -9.183 2.538 1.00 0.00 O ATOM 1791 CB TYR A 109 93.454 -6.991 2.682 1.00 0.00 C ATOM 1792 CG TYR A 109 92.204 -6.168 2.879 1.00 0.00 C ATOM 1793 CD1 TYR A 109 92.182 -5.135 3.824 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.067 -6.439 2.116 1.00 0.00 C ATOM 1795 CE1 TYR A 109 91.018 -4.378 4.005 1.00 0.00 C ATOM 1796 CE2 TYR A 109 89.905 -5.682 2.296 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.879 -4.652 3.241 1.00 0.00 C ATOM 1798 OH TYR A 109 88.730 -3.909 3.417 1.00 0.00 O ATOM 0 H TYR A 109 94.877 -7.019 4.799 1.00 0.00 H new ATOM 0 HA TYR A 109 92.450 -8.467 3.908 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.337 -6.368 2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.493 -7.373 1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 109 93.062 -4.922 4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 109 91.085 -7.234 1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 109 91.000 -3.582 4.735 1.00 0.00 H new ATOM 0 HE2 TYR A 109 89.027 -5.893 1.704 1.00 0.00 H new ATOM 0 HH TYR A 109 88.791 -3.406 4.256 1.00 0.00 H new ATOM 1808 N ARG A 110 93.647 -10.500 3.112 1.00 0.00 N ATOM 1809 CA ARG A 110 94.317 -11.686 2.517 1.00 0.00 C ATOM 1810 C ARG A 110 94.032 -11.708 1.014 1.00 0.00 C ATOM 1811 O ARG A 110 92.895 -11.771 0.592 1.00 0.00 O ATOM 1812 CB ARG A 110 93.762 -12.957 3.162 1.00 0.00 C ATOM 1813 CG ARG A 110 94.735 -13.453 4.232 1.00 0.00 C ATOM 1814 CD ARG A 110 94.410 -14.906 4.581 1.00 0.00 C ATOM 1815 NE ARG A 110 93.615 -14.947 5.841 1.00 0.00 N ATOM 1816 CZ ARG A 110 93.244 -16.094 6.345 1.00 0.00 C ATOM 1817 NH1 ARG A 110 93.569 -17.209 5.747 1.00 0.00 N ATOM 1818 NH2 ARG A 110 92.548 -16.127 7.448 1.00 0.00 N ATOM 0 H ARG A 110 92.739 -10.684 3.539 1.00 0.00 H new ATOM 0 HA ARG A 110 95.392 -11.635 2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 110 92.787 -12.756 3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 110 93.614 -13.727 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 110 95.760 -13.375 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 110 94.662 -12.829 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 110 93.850 -15.370 3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 110 95.330 -15.478 4.700 1.00 0.00 H new ATOM 0 HE ARG A 110 93.360 -14.078 6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 110 94.113 -17.185 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 110 93.278 -18.103 6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 110 92.294 -15.258 7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 110 92.258 -17.022 7.842 1.00 0.00 H new ATOM 1832 N MET A 111 95.053 -11.647 0.203 1.00 0.00 N ATOM 1833 CA MET A 111 94.832 -11.657 -1.269 1.00 0.00 C ATOM 1834 C MET A 111 94.991 -13.083 -1.800 1.00 0.00 C ATOM 1835 O MET A 111 96.009 -13.437 -2.360 1.00 0.00 O ATOM 1836 CB MET A 111 95.860 -10.744 -1.945 1.00 0.00 C ATOM 1837 CG MET A 111 95.287 -9.332 -2.068 1.00 0.00 C ATOM 1838 SD MET A 111 95.060 -8.922 -3.816 1.00 0.00 S ATOM 1839 CE MET A 111 96.179 -7.501 -3.864 1.00 0.00 C ATOM 0 H MET A 111 96.028 -11.591 0.496 1.00 0.00 H new ATOM 0 HA MET A 111 93.826 -11.298 -1.488 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.782 -10.724 -1.364 1.00 0.00 H new ATOM 0 HB3 MET A 111 96.113 -11.132 -2.932 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.335 -9.268 -1.542 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.959 -8.613 -1.599 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.061 -6.977 -4.812 1.00 0.00 H new ATOM 0 HE2 MET A 111 95.942 -6.824 -3.043 1.00 0.00 H new ATOM 0 HE3 MET A 111 97.209 -7.845 -3.765 1.00 0.00 H new ATOM 1849 N LEU A 112 93.991 -13.904 -1.629 1.00 0.00 N ATOM 1850 CA LEU A 112 94.087 -15.306 -2.126 1.00 0.00 C ATOM 1851 C LEU A 112 94.557 -15.299 -3.584 1.00 0.00 C ATOM 1852 O LEU A 112 94.334 -14.344 -4.301 1.00 0.00 O ATOM 1853 CB LEU A 112 92.713 -15.977 -2.039 1.00 0.00 C ATOM 1854 CG LEU A 112 92.304 -16.130 -0.573 1.00 0.00 C ATOM 1855 CD1 LEU A 112 91.058 -17.013 -0.482 1.00 0.00 C ATOM 1856 CD2 LEU A 112 93.445 -16.781 0.210 1.00 0.00 C ATOM 0 H LEU A 112 93.113 -13.665 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 112 94.800 -15.858 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 112 91.972 -15.381 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.744 -16.954 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 112 92.088 -15.148 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.765 -17.123 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.244 -16.552 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 112 91.276 -17.995 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 112 93.154 -16.890 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 112 93.661 -17.763 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 112 94.335 -16.155 0.145 1.00 0.00 H new ATOM 1868 N PRO A 113 95.196 -16.370 -3.978 1.00 0.00 N ATOM 1869 CA PRO A 113 95.715 -16.529 -5.346 1.00 0.00 C ATOM 1870 C PRO A 113 94.583 -16.882 -6.315 1.00 0.00 C ATOM 1871 O PRO A 113 93.529 -17.279 -5.844 1.00 0.00 O ATOM 1872 CB PRO A 113 96.712 -17.680 -5.224 1.00 0.00 C ATOM 1873 CG PRO A 113 96.304 -18.472 -3.965 1.00 0.00 C ATOM 1874 CD PRO A 113 95.460 -17.523 -3.096 1.00 0.00 C ATOM 1875 OXT PRO A 113 94.788 -16.748 -7.510 1.00 0.00 O ATOM 0 HA PRO A 113 96.171 -15.619 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 113 96.683 -18.315 -6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 113 97.731 -17.304 -5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 113 95.732 -19.360 -4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 113 97.185 -18.814 -3.421 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.534 -17.997 -2.771 1.00 0.00 H new ATOM 0 HD3 PRO A 113 95.997 -17.222 -2.196 1.00 0.00 H new