USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=17 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 57 ASN : amide:sc= -10.9! C(o=-17!,f=-24!) USER MOD Set 1.2: A 61 HIS :FLIP no HE2:sc= -5.98! F(o=-18,f=-17!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 156:sc= -0.461 (180deg=-1.05) USER MOD Set 2.2: A 35 GLN : amide:sc= -9.59! C(o=-10!,f=-10!) USER MOD Set 3.1: A 15 GLN : amide:sc= 0.336 K(o=1.1,f=-8.8!) USER MOD Set 3.2: A 20 THR OG1 : rot 151:sc= 0.735 USER MOD Single : A 8 MET CE :methyl -177:sc= -10.9! (180deg=-11.2!) USER MOD Single : A 17 ASN : amide:sc= -0.484 K(o=-0.48,f=-3.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.639 K(o=-0.64,f=-1.4) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.724 F(o=-1.3,f=-0.72) USER MOD Single : A 29 LYS NZ :NH3+ -130:sc= -0.749 (180deg=-3.97!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 64:sc= -3.67! USER MOD Single : A 64 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00138) USER MOD Single : A 65 HIS : no HE2:sc= -9.47! C(o=-9.5!,f=-9!) USER MOD Single : A 66 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.058) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0292 (180deg=-0.33) USER MOD Single : A 76 THR OG1 : rot 109:sc= 0.0426 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.338 F(o=-1,f=-0.34) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 169:sc= -9.9! (180deg=-11.6!) USER MOD Single : A 86 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.062) USER MOD Single : A 87 SER OG : rot 180:sc= 0.165 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 30:sc= -3.64! USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 97.654 0.113 -13.151 1.00 0.00 N ATOM 90 CA ARG A 7 96.385 -0.395 -12.559 1.00 0.00 C ATOM 91 C ARG A 7 96.495 -0.392 -11.030 1.00 0.00 C ATOM 92 O ARG A 7 97.579 -0.431 -10.471 1.00 0.00 O ATOM 93 CB ARG A 7 96.135 -1.823 -13.054 1.00 0.00 C ATOM 94 CG ARG A 7 94.720 -2.263 -12.676 1.00 0.00 C ATOM 95 CD ARG A 7 93.715 -1.608 -13.624 1.00 0.00 C ATOM 96 NE ARG A 7 92.538 -2.504 -13.803 1.00 0.00 N ATOM 97 CZ ARG A 7 91.692 -2.680 -12.822 1.00 0.00 C ATOM 98 NH1 ARG A 7 91.876 -2.074 -11.680 1.00 0.00 N ATOM 99 NH2 ARG A 7 90.662 -3.465 -12.984 1.00 0.00 N ATOM 0 HA ARG A 7 95.557 0.247 -12.860 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.264 -1.870 -14.135 1.00 0.00 H new ATOM 0 HB3 ARG A 7 96.866 -2.503 -12.616 1.00 0.00 H new ATOM 0 HG2 ARG A 7 94.637 -3.348 -12.734 1.00 0.00 H new ATOM 0 HG3 ARG A 7 94.502 -1.981 -11.646 1.00 0.00 H new ATOM 0 HD2 ARG A 7 93.395 -0.646 -13.223 1.00 0.00 H new ATOM 0 HD3 ARG A 7 94.184 -1.411 -14.588 1.00 0.00 H new ATOM 0 HE ARG A 7 92.392 -2.981 -14.693 1.00 0.00 H new ATOM 0 HH11 ARG A 7 92.681 -1.461 -11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 7 91.214 -2.213 -10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 7 90.518 -3.940 -13.875 1.00 0.00 H new ATOM 0 HH22 ARG A 7 90.001 -3.603 -12.220 1.00 0.00 H new ATOM 113 N MET A 8 95.385 -0.347 -10.347 1.00 0.00 N ATOM 114 CA MET A 8 95.426 -0.341 -8.857 1.00 0.00 C ATOM 115 C MET A 8 96.028 -1.664 -8.350 1.00 0.00 C ATOM 116 O MET A 8 96.573 -1.732 -7.265 1.00 0.00 O ATOM 117 CB MET A 8 94.004 -0.188 -8.310 1.00 0.00 C ATOM 118 CG MET A 8 94.039 -0.175 -6.778 1.00 0.00 C ATOM 119 SD MET A 8 92.512 -0.904 -6.133 1.00 0.00 S ATOM 120 CE MET A 8 93.033 -1.047 -4.405 1.00 0.00 C ATOM 0 H MET A 8 94.451 -0.314 -10.756 1.00 0.00 H new ATOM 0 HA MET A 8 96.042 0.491 -8.516 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.559 0.735 -8.681 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.378 -1.008 -8.662 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.902 -0.735 -6.419 1.00 0.00 H new ATOM 0 HG3 MET A 8 94.148 0.847 -6.415 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.246 -1.531 -3.827 1.00 0.00 H new ATOM 0 HE2 MET A 8 93.944 -1.643 -4.348 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.223 -0.053 -3.999 1.00 0.00 H new ATOM 130 N ARG A 9 95.920 -2.714 -9.124 1.00 0.00 N ATOM 131 CA ARG A 9 96.465 -4.039 -8.690 1.00 0.00 C ATOM 132 C ARG A 9 97.982 -3.953 -8.471 1.00 0.00 C ATOM 133 O ARG A 9 98.462 -4.203 -7.381 1.00 0.00 O ATOM 134 CB ARG A 9 96.166 -5.089 -9.765 1.00 0.00 C ATOM 135 CG ARG A 9 95.063 -6.030 -9.276 1.00 0.00 C ATOM 136 CD ARG A 9 95.684 -7.167 -8.461 1.00 0.00 C ATOM 137 NE ARG A 9 94.652 -8.212 -8.197 1.00 0.00 N ATOM 138 CZ ARG A 9 94.328 -9.067 -9.130 1.00 0.00 C ATOM 139 NH1 ARG A 9 94.904 -9.014 -10.300 1.00 0.00 N ATOM 140 NH2 ARG A 9 93.424 -9.978 -8.891 1.00 0.00 N ATOM 0 H ARG A 9 95.476 -2.712 -10.042 1.00 0.00 H new ATOM 0 HA ARG A 9 95.990 -4.322 -7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.857 -4.600 -10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.068 -5.658 -9.992 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.346 -5.481 -8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.514 -6.436 -10.126 1.00 0.00 H new ATOM 0 HD2 ARG A 9 96.525 -7.600 -9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 9 96.076 -6.782 -7.520 1.00 0.00 H new ATOM 0 HE ARG A 9 94.198 -8.259 -7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 9 95.610 -8.303 -10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 9 94.648 -9.684 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 9 92.972 -10.021 -7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 9 93.169 -10.647 -9.618 1.00 0.00 H new ATOM 154 N PRO A 10 98.694 -3.599 -9.512 1.00 0.00 N ATOM 155 CA PRO A 10 100.159 -3.472 -9.458 1.00 0.00 C ATOM 156 C PRO A 10 100.556 -2.266 -8.609 1.00 0.00 C ATOM 157 O PRO A 10 101.601 -2.249 -7.991 1.00 0.00 O ATOM 158 CB PRO A 10 100.569 -3.302 -10.920 1.00 0.00 C ATOM 159 CG PRO A 10 99.313 -2.805 -11.658 1.00 0.00 C ATOM 160 CD PRO A 10 98.109 -3.275 -10.823 1.00 0.00 C ATOM 0 HA PRO A 10 100.651 -4.329 -8.998 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.386 -2.587 -11.015 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.920 -4.245 -11.339 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.321 -1.719 -11.752 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.269 -3.212 -12.668 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.351 -2.496 -10.741 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.626 -4.144 -11.271 1.00 0.00 H new ATOM 168 N TRP A 11 99.726 -1.264 -8.558 1.00 0.00 N ATOM 169 CA TRP A 11 100.061 -0.077 -7.728 1.00 0.00 C ATOM 170 C TRP A 11 100.052 -0.483 -6.248 1.00 0.00 C ATOM 171 O TRP A 11 100.864 -0.029 -5.459 1.00 0.00 O ATOM 172 CB TRP A 11 99.017 1.013 -7.969 1.00 0.00 C ATOM 173 CG TRP A 11 99.465 2.287 -7.334 1.00 0.00 C ATOM 174 CD1 TRP A 11 100.101 3.293 -7.977 1.00 0.00 C ATOM 175 CD2 TRP A 11 99.323 2.711 -5.950 1.00 0.00 C ATOM 176 NE1 TRP A 11 100.351 4.311 -7.075 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.891 3.998 -5.813 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.759 2.110 -4.810 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.900 4.668 -4.592 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.768 2.779 -3.577 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.337 4.057 -3.468 1.00 0.00 C ATOM 0 H TRP A 11 98.835 -1.216 -9.052 1.00 0.00 H new ATOM 0 HA TRP A 11 101.048 0.301 -7.996 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.871 1.160 -9.039 1.00 0.00 H new ATOM 0 HB3 TRP A 11 98.056 0.707 -7.555 1.00 0.00 H new ATOM 0 HD1 TRP A 11 100.369 3.300 -9.023 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.818 5.186 -7.314 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.316 1.128 -4.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.339 5.652 -4.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.335 2.308 -2.707 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.340 4.568 -2.517 1.00 0.00 H new ATOM 192 N LEU A 12 99.143 -1.346 -5.868 1.00 0.00 N ATOM 193 CA LEU A 12 99.079 -1.787 -4.448 1.00 0.00 C ATOM 194 C LEU A 12 100.193 -2.796 -4.186 1.00 0.00 C ATOM 195 O LEU A 12 100.938 -2.672 -3.241 1.00 0.00 O ATOM 196 CB LEU A 12 97.722 -2.434 -4.168 1.00 0.00 C ATOM 197 CG LEU A 12 97.028 -1.690 -3.025 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.266 -0.488 -3.585 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.047 -2.634 -2.326 1.00 0.00 C ATOM 0 H LEU A 12 98.444 -1.762 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 12 99.204 -0.925 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.102 -2.406 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.855 -3.483 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 12 97.775 -1.345 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 12 95.772 0.041 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 12 96.963 0.184 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 12 95.519 -0.832 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.552 -2.106 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.301 -2.979 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.589 -3.491 -1.926 1.00 0.00 H new ATOM 211 N GLU A 13 100.326 -3.791 -5.014 1.00 0.00 N ATOM 212 CA GLU A 13 101.410 -4.786 -4.790 1.00 0.00 C ATOM 213 C GLU A 13 102.746 -4.044 -4.682 1.00 0.00 C ATOM 214 O GLU A 13 103.603 -4.390 -3.888 1.00 0.00 O ATOM 215 CB GLU A 13 101.460 -5.761 -5.970 1.00 0.00 C ATOM 216 CG GLU A 13 102.533 -6.821 -5.713 1.00 0.00 C ATOM 217 CD GLU A 13 103.508 -6.857 -6.892 1.00 0.00 C ATOM 218 OE1 GLU A 13 103.604 -5.858 -7.587 1.00 0.00 O ATOM 219 OE2 GLU A 13 104.142 -7.882 -7.078 1.00 0.00 O ATOM 0 H GLU A 13 99.737 -3.959 -5.830 1.00 0.00 H new ATOM 0 HA GLU A 13 101.220 -5.343 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.488 -6.237 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.680 -5.222 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.069 -6.595 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.069 -7.799 -5.581 1.00 0.00 H new ATOM 226 N GLU A 14 102.921 -3.021 -5.476 1.00 0.00 N ATOM 227 CA GLU A 14 104.192 -2.241 -5.438 1.00 0.00 C ATOM 228 C GLU A 14 104.306 -1.488 -4.110 1.00 0.00 C ATOM 229 O GLU A 14 105.283 -1.616 -3.399 1.00 0.00 O ATOM 230 CB GLU A 14 104.203 -1.234 -6.591 1.00 0.00 C ATOM 231 CG GLU A 14 105.424 -1.480 -7.478 1.00 0.00 C ATOM 232 CD GLU A 14 105.467 -0.429 -8.591 1.00 0.00 C ATOM 233 OE1 GLU A 14 104.517 0.328 -8.703 1.00 0.00 O ATOM 234 OE2 GLU A 14 106.450 -0.400 -9.313 1.00 0.00 O ATOM 0 H GLU A 14 102.234 -2.691 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 14 105.034 -2.926 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.290 -1.329 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.225 -0.217 -6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 14 106.335 -1.431 -6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 14 105.378 -2.480 -7.909 1.00 0.00 H new ATOM 241 N GLN A 15 103.323 -0.695 -3.773 1.00 0.00 N ATOM 242 CA GLN A 15 103.390 0.070 -2.493 1.00 0.00 C ATOM 243 C GLN A 15 103.660 -0.888 -1.330 1.00 0.00 C ATOM 244 O GLN A 15 104.626 -0.750 -0.607 1.00 0.00 O ATOM 245 CB GLN A 15 102.059 0.783 -2.256 1.00 0.00 C ATOM 246 CG GLN A 15 101.892 1.905 -3.281 1.00 0.00 C ATOM 247 CD GLN A 15 103.119 2.817 -3.249 1.00 0.00 C ATOM 248 OE1 GLN A 15 103.494 3.313 -2.206 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.764 3.060 -4.356 1.00 0.00 N ATOM 0 H GLN A 15 102.480 -0.544 -4.326 1.00 0.00 H new ATOM 0 HA GLN A 15 104.195 0.802 -2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.235 0.074 -2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.028 1.191 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.765 1.484 -4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.993 2.481 -3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 15 103.449 2.643 -5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 15 104.584 3.667 -4.346 1.00 0.00 H new ATOM 258 N ILE A 16 102.803 -1.849 -1.140 1.00 0.00 N ATOM 259 CA ILE A 16 102.982 -2.822 -0.025 1.00 0.00 C ATOM 260 C ILE A 16 104.400 -3.399 -0.049 1.00 0.00 C ATOM 261 O ILE A 16 105.117 -3.345 0.931 1.00 0.00 O ATOM 262 CB ILE A 16 101.975 -3.964 -0.185 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.560 -3.392 -0.302 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.050 -4.887 1.034 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.778 -4.180 -1.355 1.00 0.00 C ATOM 0 H ILE A 16 101.976 -2.005 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 16 102.820 -2.309 0.923 1.00 0.00 H new ATOM 0 HB ILE A 16 102.213 -4.529 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.053 -3.448 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.604 -2.339 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.333 -5.700 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.056 -5.299 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 16 101.815 -4.320 1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.770 -3.774 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.283 -4.101 -2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 16 99.723 -5.228 -1.059 1.00 0.00 H new ATOM 277 N ASN A 17 104.804 -3.971 -1.152 1.00 0.00 N ATOM 278 CA ASN A 17 106.169 -4.570 -1.222 1.00 0.00 C ATOM 279 C ASN A 17 107.234 -3.494 -0.994 1.00 0.00 C ATOM 280 O ASN A 17 108.353 -3.789 -0.625 1.00 0.00 O ATOM 281 CB ASN A 17 106.376 -5.207 -2.596 1.00 0.00 C ATOM 282 CG ASN A 17 106.678 -6.696 -2.423 1.00 0.00 C ATOM 283 OD1 ASN A 17 106.983 -7.142 -1.334 1.00 0.00 O ATOM 284 ND2 ASN A 17 106.608 -7.489 -3.456 1.00 0.00 N ATOM 0 H ASN A 17 104.250 -4.049 -2.005 1.00 0.00 H new ATOM 0 HA ASN A 17 106.261 -5.329 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.485 -5.074 -3.209 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.198 -4.716 -3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.809 -8.483 -3.350 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.352 -7.115 -4.370 1.00 0.00 H new ATOM 291 N SER A 18 106.904 -2.255 -1.215 1.00 0.00 N ATOM 292 CA SER A 18 107.910 -1.175 -1.013 1.00 0.00 C ATOM 293 C SER A 18 107.841 -0.660 0.427 1.00 0.00 C ATOM 294 O SER A 18 108.752 -0.015 0.908 1.00 0.00 O ATOM 295 CB SER A 18 107.625 -0.024 -1.978 1.00 0.00 C ATOM 296 OG SER A 18 108.557 -0.071 -3.051 1.00 0.00 O ATOM 0 H SER A 18 105.984 -1.942 -1.526 1.00 0.00 H new ATOM 0 HA SER A 18 108.906 -1.575 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 18 106.607 -0.099 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 18 107.700 0.930 -1.457 1.00 0.00 H new ATOM 0 HG SER A 18 108.377 0.664 -3.673 1.00 0.00 H new ATOM 302 N ASN A 19 106.767 -0.929 1.117 1.00 0.00 N ATOM 303 CA ASN A 19 106.642 -0.442 2.520 1.00 0.00 C ATOM 304 C ASN A 19 106.613 1.084 2.506 1.00 0.00 C ATOM 305 O ASN A 19 107.259 1.738 3.302 1.00 0.00 O ATOM 306 CB ASN A 19 107.837 -0.921 3.344 1.00 0.00 C ATOM 307 CG ASN A 19 108.174 -2.365 2.970 1.00 0.00 C ATOM 308 OD1 ASN A 19 109.045 -2.608 2.159 1.00 0.00 O ATOM 309 ND2 ASN A 19 107.517 -3.341 3.535 1.00 0.00 N ATOM 0 H ASN A 19 105.971 -1.465 0.770 1.00 0.00 H new ATOM 0 HA ASN A 19 105.726 -0.831 2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.698 -0.278 3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 19 107.608 -0.854 4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 19 107.735 -4.308 3.296 1.00 0.00 H new ATOM 0 HD22 ASN A 19 106.786 -3.136 4.216 1.00 0.00 H new ATOM 316 N THR A 20 105.873 1.654 1.599 1.00 0.00 N ATOM 317 CA THR A 20 105.802 3.138 1.515 1.00 0.00 C ATOM 318 C THR A 20 104.847 3.674 2.580 1.00 0.00 C ATOM 319 O THR A 20 105.177 4.578 3.322 1.00 0.00 O ATOM 320 CB THR A 20 105.299 3.542 0.127 1.00 0.00 C ATOM 321 OG1 THR A 20 104.868 2.386 -0.576 1.00 0.00 O ATOM 322 CG2 THR A 20 106.429 4.215 -0.646 1.00 0.00 C ATOM 0 H THR A 20 105.312 1.154 0.909 1.00 0.00 H new ATOM 0 HA THR A 20 106.794 3.557 1.683 1.00 0.00 H new ATOM 0 HB THR A 20 104.465 4.236 0.230 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.161 2.632 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 20 106.072 4.503 -1.635 1.00 0.00 H new ATOM 0 HG22 THR A 20 106.760 5.102 -0.107 1.00 0.00 H new ATOM 0 HG23 THR A 20 107.263 3.521 -0.749 1.00 0.00 H new ATOM 330 N ILE A 21 103.664 3.130 2.666 1.00 0.00 N ATOM 331 CA ILE A 21 102.701 3.623 3.688 1.00 0.00 C ATOM 332 C ILE A 21 102.938 2.882 5.014 1.00 0.00 C ATOM 333 O ILE A 21 103.043 1.668 5.032 1.00 0.00 O ATOM 334 CB ILE A 21 101.271 3.365 3.206 1.00 0.00 C ATOM 335 CG1 ILE A 21 100.927 4.344 2.082 1.00 0.00 C ATOM 336 CG2 ILE A 21 100.296 3.571 4.365 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.730 3.991 0.829 1.00 0.00 C ATOM 0 H ILE A 21 103.325 2.370 2.076 1.00 0.00 H new ATOM 0 HA ILE A 21 102.846 4.693 3.839 1.00 0.00 H new ATOM 0 HB ILE A 21 101.194 2.342 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 21 99.860 4.304 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 21 101.151 5.364 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 21 99.278 3.387 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 21 100.537 2.878 5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 21 100.376 4.595 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.483 4.690 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 21 102.796 4.054 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 21 101.484 2.977 0.513 1.00 0.00 H new ATOM 349 N PRO A 22 103.012 3.631 6.087 1.00 0.00 N ATOM 350 CA PRO A 22 103.238 3.067 7.428 1.00 0.00 C ATOM 351 C PRO A 22 101.969 2.386 7.932 1.00 0.00 C ATOM 352 O PRO A 22 100.928 2.999 8.065 1.00 0.00 O ATOM 353 CB PRO A 22 103.600 4.286 8.282 1.00 0.00 C ATOM 354 CG PRO A 22 103.028 5.517 7.543 1.00 0.00 C ATOM 355 CD PRO A 22 102.859 5.101 6.068 1.00 0.00 C ATOM 0 HA PRO A 22 104.017 2.305 7.452 1.00 0.00 H new ATOM 0 HB2 PRO A 22 103.175 4.200 9.282 1.00 0.00 H new ATOM 0 HB3 PRO A 22 104.680 4.371 8.401 1.00 0.00 H new ATOM 0 HG2 PRO A 22 102.073 5.819 7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 22 103.701 6.370 7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 22 101.884 5.395 5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 22 103.610 5.572 5.433 1.00 0.00 H new ATOM 363 N GLY A 23 102.046 1.115 8.199 1.00 0.00 N ATOM 364 CA GLY A 23 100.848 0.378 8.677 1.00 0.00 C ATOM 365 C GLY A 23 100.335 -0.506 7.541 1.00 0.00 C ATOM 366 O GLY A 23 99.591 -1.442 7.756 1.00 0.00 O ATOM 0 H GLY A 23 102.892 0.552 8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.100 -0.230 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.074 1.078 8.991 1.00 0.00 H new ATOM 370 N LEU A 24 100.734 -0.217 6.328 1.00 0.00 N ATOM 371 CA LEU A 24 100.280 -1.039 5.178 1.00 0.00 C ATOM 372 C LEU A 24 101.482 -1.840 4.661 1.00 0.00 C ATOM 373 O LEU A 24 102.515 -1.282 4.345 1.00 0.00 O ATOM 374 CB LEU A 24 99.716 -0.101 4.086 1.00 0.00 C ATOM 375 CG LEU A 24 100.239 -0.496 2.701 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.669 -1.863 2.314 1.00 0.00 C ATOM 377 CD2 LEU A 24 99.807 0.549 1.669 1.00 0.00 C ATOM 0 H LEU A 24 101.356 0.555 6.089 1.00 0.00 H new ATOM 0 HA LEU A 24 99.492 -1.733 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.627 -0.142 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 24 99.997 0.929 4.305 1.00 0.00 H new ATOM 0 HG LEU A 24 101.327 -0.548 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.040 -2.146 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 24 99.980 -2.608 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.581 -1.810 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.181 0.265 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 24 98.719 0.605 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.214 1.522 1.944 1.00 0.00 H new ATOM 389 N LYS A 25 101.365 -3.137 4.568 1.00 0.00 N ATOM 390 CA LYS A 25 102.528 -3.936 4.066 1.00 0.00 C ATOM 391 C LYS A 25 102.154 -5.414 3.887 1.00 0.00 C ATOM 392 O LYS A 25 101.106 -5.863 4.312 1.00 0.00 O ATOM 393 CB LYS A 25 103.700 -3.827 5.048 1.00 0.00 C ATOM 394 CG LYS A 25 103.182 -3.524 6.455 1.00 0.00 C ATOM 395 CD LYS A 25 102.107 -4.542 6.836 1.00 0.00 C ATOM 396 CE LYS A 25 102.276 -4.940 8.306 1.00 0.00 C ATOM 397 NZ LYS A 25 102.489 -3.718 9.132 1.00 0.00 N ATOM 0 H LYS A 25 100.532 -3.673 4.812 1.00 0.00 H new ATOM 0 HA LYS A 25 102.817 -3.532 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.267 -4.758 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.382 -3.040 4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.003 -3.561 7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.771 -2.515 6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.116 -4.117 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.184 -5.423 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.392 -5.476 8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 25 103.123 -5.617 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 102.204 -3.909 10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.495 -3.454 9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 101.917 -2.937 8.751 1.00 0.00 H new ATOM 411 N TRP A 26 103.023 -6.171 3.257 1.00 0.00 N ATOM 412 CA TRP A 26 102.756 -7.623 3.037 1.00 0.00 C ATOM 413 C TRP A 26 103.063 -8.402 4.318 1.00 0.00 C ATOM 414 O TRP A 26 104.207 -8.699 4.600 1.00 0.00 O ATOM 415 CB TRP A 26 103.685 -8.164 1.939 1.00 0.00 C ATOM 416 CG TRP A 26 103.217 -7.737 0.586 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.906 -6.926 -0.244 1.00 0.00 C ATOM 418 CD2 TRP A 26 101.995 -8.103 -0.117 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.175 -6.750 -1.407 1.00 0.00 N ATOM 420 CE2 TRP A 26 101.989 -7.457 -1.376 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.901 -8.917 0.215 1.00 0.00 C ATOM 422 CZ2 TRP A 26 100.931 -7.616 -2.274 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.836 -9.081 -0.685 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.850 -8.431 -1.927 1.00 0.00 C ATOM 0 H TRP A 26 103.912 -5.838 2.884 1.00 0.00 H new ATOM 0 HA TRP A 26 101.711 -7.742 2.750 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.700 -7.805 2.107 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.719 -9.252 1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.870 -6.486 -0.035 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.476 -6.170 -2.190 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.878 -9.421 1.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 100.948 -7.113 -3.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.001 -9.712 -0.419 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.027 -8.560 -2.614 1.00 0.00 H new ATOM 435 N LEU A 27 102.074 -8.776 5.082 1.00 0.00 N ATOM 436 CA LEU A 27 102.386 -9.572 6.300 1.00 0.00 C ATOM 437 C LEU A 27 103.138 -10.807 5.830 1.00 0.00 C ATOM 438 O LEU A 27 103.998 -11.335 6.507 1.00 0.00 O ATOM 439 CB LEU A 27 101.100 -10.012 7.008 1.00 0.00 C ATOM 440 CG LEU A 27 100.112 -8.848 7.114 1.00 0.00 C ATOM 441 CD1 LEU A 27 99.164 -9.122 8.280 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.862 -7.536 7.369 1.00 0.00 C ATOM 0 H LEU A 27 101.088 -8.571 4.922 1.00 0.00 H new ATOM 0 HA LEU A 27 102.970 -8.977 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.641 -10.835 6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 27 101.337 -10.385 8.004 1.00 0.00 H new ATOM 0 HG LEU A 27 99.555 -8.757 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.452 -8.302 8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.625 -10.052 8.100 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.738 -9.208 9.203 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.147 -6.717 7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.423 -7.613 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.550 -7.344 6.546 1.00 0.00 H new ATOM 454 N ASN A 28 102.811 -11.252 4.651 1.00 0.00 N ATOM 455 CA ASN A 28 103.477 -12.441 4.072 1.00 0.00 C ATOM 456 C ASN A 28 103.301 -12.397 2.553 1.00 0.00 C ATOM 457 O ASN A 28 102.407 -13.011 2.003 1.00 0.00 O ATOM 458 CB ASN A 28 102.831 -13.711 4.629 1.00 0.00 C ATOM 459 CG ASN A 28 103.540 -14.124 5.921 1.00 0.00 C ATOM 460 OD1 ASN A 28 103.055 -13.736 7.069 1.00 0.00 O flip ATOM 461 ND2 ASN A 28 104.545 -14.806 5.886 1.00 0.00 N flip ATOM 0 H ASN A 28 102.097 -10.832 4.056 1.00 0.00 H new ATOM 0 HA ASN A 28 104.537 -12.443 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.772 -13.538 4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.893 -14.515 3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 28 104.924 -15.109 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 28 105.009 -15.075 6.753 1.00 0.00 H new ATOM 468 N LYS A 29 104.141 -11.666 1.868 1.00 0.00 N ATOM 469 CA LYS A 29 104.013 -11.589 0.388 1.00 0.00 C ATOM 470 C LYS A 29 104.178 -13.001 -0.182 1.00 0.00 C ATOM 471 O LYS A 29 103.691 -13.314 -1.250 1.00 0.00 O ATOM 472 CB LYS A 29 105.090 -10.643 -0.172 1.00 0.00 C ATOM 473 CG LYS A 29 105.189 -10.783 -1.696 1.00 0.00 C ATOM 474 CD LYS A 29 104.293 -9.738 -2.364 1.00 0.00 C ATOM 475 CE LYS A 29 102.906 -10.336 -2.614 1.00 0.00 C ATOM 476 NZ LYS A 29 102.600 -10.294 -4.071 1.00 0.00 N ATOM 0 H LYS A 29 104.905 -11.123 2.269 1.00 0.00 H new ATOM 0 HA LYS A 29 103.036 -11.197 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.849 -9.613 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 29 106.054 -10.870 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 29 106.222 -10.651 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 29 104.886 -11.785 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 29 104.211 -8.856 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 29 104.735 -9.413 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 29 102.872 -11.364 -2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 29 102.153 -9.778 -2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 101.661 -9.872 -4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 103.317 -9.720 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 102.609 -11.260 -4.456 1.00 0.00 H new ATOM 490 N GLU A 30 104.844 -13.864 0.540 1.00 0.00 N ATOM 491 CA GLU A 30 105.021 -15.263 0.057 1.00 0.00 C ATOM 492 C GLU A 30 103.641 -15.882 -0.167 1.00 0.00 C ATOM 493 O GLU A 30 103.397 -16.542 -1.158 1.00 0.00 O ATOM 494 CB GLU A 30 105.784 -16.073 1.110 1.00 0.00 C ATOM 495 CG GLU A 30 105.640 -17.568 0.818 1.00 0.00 C ATOM 496 CD GLU A 30 106.062 -17.850 -0.626 1.00 0.00 C ATOM 497 OE1 GLU A 30 107.038 -17.265 -1.062 1.00 0.00 O ATOM 498 OE2 GLU A 30 105.400 -18.648 -1.270 1.00 0.00 O ATOM 0 H GLU A 30 105.272 -13.659 1.443 1.00 0.00 H new ATOM 0 HA GLU A 30 105.585 -15.268 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.837 -15.792 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 30 105.398 -15.849 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 30 106.257 -18.145 1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.608 -17.882 0.974 1.00 0.00 H new ATOM 505 N LYS A 31 102.733 -15.665 0.746 1.00 0.00 N ATOM 506 CA LYS A 31 101.365 -16.229 0.588 1.00 0.00 C ATOM 507 C LYS A 31 100.434 -15.152 0.023 1.00 0.00 C ATOM 508 O LYS A 31 99.272 -15.393 -0.225 1.00 0.00 O ATOM 509 CB LYS A 31 100.846 -16.700 1.947 1.00 0.00 C ATOM 510 CG LYS A 31 101.252 -18.159 2.167 1.00 0.00 C ATOM 511 CD LYS A 31 100.314 -19.074 1.378 1.00 0.00 C ATOM 512 CE LYS A 31 101.134 -20.150 0.662 1.00 0.00 C ATOM 513 NZ LYS A 31 100.873 -21.475 1.294 1.00 0.00 N ATOM 0 H LYS A 31 102.882 -15.120 1.595 1.00 0.00 H new ATOM 0 HA LYS A 31 101.396 -17.076 -0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 31 101.253 -16.074 2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.761 -16.602 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 31 102.282 -18.313 1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 31 101.208 -18.404 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 31 99.592 -19.539 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 31 99.746 -18.492 0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 31 100.870 -20.181 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 31 102.196 -19.911 0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 101.430 -22.207 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 101.146 -21.441 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 99.861 -21.702 1.218 1.00 0.00 H new ATOM 527 N LYS A 32 100.947 -13.965 -0.192 1.00 0.00 N ATOM 528 CA LYS A 32 100.109 -12.868 -0.757 1.00 0.00 C ATOM 529 C LYS A 32 99.177 -12.295 0.314 1.00 0.00 C ATOM 530 O LYS A 32 97.979 -12.235 0.130 1.00 0.00 O ATOM 531 CB LYS A 32 99.268 -13.402 -1.920 1.00 0.00 C ATOM 532 CG LYS A 32 100.143 -14.248 -2.851 1.00 0.00 C ATOM 533 CD LYS A 32 101.023 -13.334 -3.706 1.00 0.00 C ATOM 534 CE LYS A 32 100.141 -12.412 -4.549 1.00 0.00 C ATOM 535 NZ LYS A 32 100.380 -12.681 -5.998 1.00 0.00 N ATOM 0 H LYS A 32 101.916 -13.710 0.001 1.00 0.00 H new ATOM 0 HA LYS A 32 100.772 -12.079 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.442 -14.002 -1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.829 -12.572 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 32 100.766 -14.924 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.515 -14.868 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 32 101.678 -12.742 -3.067 1.00 0.00 H new ATOM 0 HD3 LYS A 32 101.664 -13.932 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 32 99.091 -12.575 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 32 100.363 -11.370 -4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 99.780 -12.054 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 101.380 -12.505 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 100.147 -13.672 -6.210 1.00 0.00 H new ATOM 549 N ILE A 33 99.710 -11.851 1.422 1.00 0.00 N ATOM 550 CA ILE A 33 98.829 -11.261 2.478 1.00 0.00 C ATOM 551 C ILE A 33 99.317 -9.856 2.825 1.00 0.00 C ATOM 552 O ILE A 33 100.452 -9.659 3.205 1.00 0.00 O ATOM 553 CB ILE A 33 98.852 -12.118 3.742 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.278 -13.503 3.434 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.995 -11.434 4.811 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.335 -14.348 2.720 1.00 0.00 C ATOM 0 H ILE A 33 100.706 -11.870 1.642 1.00 0.00 H new ATOM 0 HA ILE A 33 97.810 -11.222 2.093 1.00 0.00 H new ATOM 0 HB ILE A 33 99.876 -12.229 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.968 -13.993 4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.390 -13.409 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 33 98.001 -12.034 5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.401 -10.446 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.972 -11.335 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.925 -15.334 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.623 -13.860 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.211 -14.453 3.361 1.00 0.00 H new ATOM 568 N PHE A 34 98.469 -8.873 2.700 1.00 0.00 N ATOM 569 CA PHE A 34 98.898 -7.487 3.025 1.00 0.00 C ATOM 570 C PHE A 34 97.888 -6.840 3.973 1.00 0.00 C ATOM 571 O PHE A 34 96.700 -6.819 3.715 1.00 0.00 O ATOM 572 CB PHE A 34 98.998 -6.662 1.734 1.00 0.00 C ATOM 573 CG PHE A 34 97.620 -6.231 1.275 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.691 -7.188 0.843 1.00 0.00 C ATOM 575 CD2 PHE A 34 97.274 -4.873 1.277 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.420 -6.785 0.416 1.00 0.00 C ATOM 577 CE2 PHE A 34 96.002 -4.473 0.849 1.00 0.00 C ATOM 578 CZ PHE A 34 95.076 -5.430 0.419 1.00 0.00 C ATOM 0 H PHE A 34 97.503 -8.970 2.388 1.00 0.00 H new ATOM 0 HA PHE A 34 99.874 -7.518 3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.623 -5.785 1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.480 -7.252 0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 34 96.956 -8.235 0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.989 -4.134 1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.704 -7.522 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.736 -3.426 0.851 1.00 0.00 H new ATOM 0 HZ PHE A 34 94.095 -5.122 0.089 1.00 0.00 H new ATOM 588 N GLN A 35 98.353 -6.298 5.065 1.00 0.00 N ATOM 589 CA GLN A 35 97.418 -5.640 6.014 1.00 0.00 C ATOM 590 C GLN A 35 97.540 -4.126 5.851 1.00 0.00 C ATOM 591 O GLN A 35 98.601 -3.606 5.570 1.00 0.00 O ATOM 592 CB GLN A 35 97.740 -6.073 7.461 1.00 0.00 C ATOM 593 CG GLN A 35 98.513 -4.977 8.210 1.00 0.00 C ATOM 594 CD GLN A 35 98.999 -5.514 9.557 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.567 -6.559 10.001 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.885 -4.836 10.234 1.00 0.00 N ATOM 0 H GLN A 35 99.336 -6.283 5.338 1.00 0.00 H new ATOM 0 HA GLN A 35 96.392 -5.939 5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.814 -6.296 7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.328 -6.991 7.446 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.362 -4.645 7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 35 97.873 -4.108 8.364 1.00 0.00 H new ATOM 0 HE21 GLN A 35 100.249 -3.958 9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 35 100.214 -5.184 11.135 1.00 0.00 H new ATOM 605 N ILE A 36 96.464 -3.417 6.022 1.00 0.00 N ATOM 606 CA ILE A 36 96.521 -1.938 5.874 1.00 0.00 C ATOM 607 C ILE A 36 96.056 -1.312 7.196 1.00 0.00 C ATOM 608 O ILE A 36 95.295 -1.922 7.911 1.00 0.00 O ATOM 609 CB ILE A 36 95.590 -1.539 4.718 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.288 -1.832 3.389 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.234 -0.051 4.780 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.318 -1.572 2.235 1.00 0.00 C ATOM 0 H ILE A 36 95.547 -3.796 6.258 1.00 0.00 H new ATOM 0 HA ILE A 36 97.530 -1.590 5.652 1.00 0.00 H new ATOM 0 HB ILE A 36 94.670 -2.117 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.172 -1.203 3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.629 -2.867 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.575 0.200 3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.729 0.163 5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.145 0.544 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.815 -1.781 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.448 -2.220 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.999 -0.530 2.255 1.00 0.00 H new ATOM 624 N PRO A 37 96.538 -0.127 7.495 1.00 0.00 N ATOM 625 CA PRO A 37 96.175 0.589 8.738 1.00 0.00 C ATOM 626 C PRO A 37 94.846 1.339 8.577 1.00 0.00 C ATOM 627 O PRO A 37 94.037 1.369 9.482 1.00 0.00 O ATOM 628 CB PRO A 37 97.322 1.566 8.929 1.00 0.00 C ATOM 629 CG PRO A 37 97.958 1.779 7.531 1.00 0.00 C ATOM 630 CD PRO A 37 97.507 0.596 6.650 1.00 0.00 C ATOM 0 HA PRO A 37 96.036 -0.082 9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.963 2.510 9.340 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.055 1.171 9.632 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.635 2.727 7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.045 1.815 7.602 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.049 0.940 5.723 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.348 -0.040 6.374 1.00 0.00 H new ATOM 638 N TRP A 38 94.597 1.921 7.432 1.00 0.00 N ATOM 639 CA TRP A 38 93.297 2.633 7.229 1.00 0.00 C ATOM 640 C TRP A 38 93.227 3.883 8.107 1.00 0.00 C ATOM 641 O TRP A 38 92.262 4.102 8.815 1.00 0.00 O ATOM 642 CB TRP A 38 92.171 1.673 7.592 1.00 0.00 C ATOM 643 CG TRP A 38 92.453 0.391 6.894 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.243 -0.594 7.361 1.00 0.00 C ATOM 645 CD2 TRP A 38 91.997 -0.035 5.590 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.295 -1.609 6.419 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.536 -1.308 5.311 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.169 0.559 4.636 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.264 -1.970 4.118 1.00 0.00 C ATOM 650 CZ3 TRP A 38 90.890 -0.095 3.436 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.436 -1.361 3.172 1.00 0.00 C ATOM 0 H TRP A 38 95.232 1.935 6.634 1.00 0.00 H new ATOM 0 HA TRP A 38 93.205 2.949 6.190 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.124 1.523 8.671 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.206 2.076 7.284 1.00 0.00 H new ATOM 0 HD1 TRP A 38 93.752 -0.593 8.313 1.00 0.00 H new ATOM 0 HE1 TRP A 38 93.829 -2.471 6.532 1.00 0.00 H new ATOM 0 HE3 TRP A 38 90.741 1.532 4.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.688 -2.944 3.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.250 0.376 2.705 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.217 -1.862 2.241 1.00 0.00 H new ATOM 865 N ALA A 52 98.192 9.309 2.675 1.00 0.00 N ATOM 866 CA ALA A 52 98.233 10.445 1.716 1.00 0.00 C ATOM 867 C ALA A 52 98.883 10.074 0.356 1.00 0.00 C ATOM 868 O ALA A 52 98.677 10.791 -0.602 1.00 0.00 O ATOM 869 CB ALA A 52 99.011 11.595 2.346 1.00 0.00 C ATOM 0 HA ALA A 52 97.202 10.729 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 52 99.047 12.434 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 52 98.517 11.907 3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 52 100.026 11.267 2.572 1.00 0.00 H new ATOM 875 N PRO A 53 99.646 8.992 0.269 1.00 0.00 N ATOM 876 CA PRO A 53 100.280 8.618 -1.010 1.00 0.00 C ATOM 877 C PRO A 53 99.214 8.057 -1.948 1.00 0.00 C ATOM 878 O PRO A 53 98.765 8.723 -2.856 1.00 0.00 O ATOM 879 CB PRO A 53 101.316 7.559 -0.616 1.00 0.00 C ATOM 880 CG PRO A 53 100.861 6.992 0.744 1.00 0.00 C ATOM 881 CD PRO A 53 99.939 8.051 1.376 1.00 0.00 C ATOM 0 HA PRO A 53 100.747 9.450 -1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 53 101.371 6.771 -1.367 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.311 7.998 -0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 53 100.333 6.047 0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 53 101.718 6.792 1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.027 7.601 1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 53 100.427 8.557 2.209 1.00 0.00 H new ATOM 889 N LEU A 54 98.789 6.852 -1.717 1.00 0.00 N ATOM 890 CA LEU A 54 97.715 6.269 -2.581 1.00 0.00 C ATOM 891 C LEU A 54 96.624 7.317 -2.755 1.00 0.00 C ATOM 892 O LEU A 54 96.366 7.781 -3.840 1.00 0.00 O ATOM 893 CB LEU A 54 97.073 5.030 -1.936 1.00 0.00 C ATOM 894 CG LEU A 54 97.724 4.686 -0.596 1.00 0.00 C ATOM 895 CD1 LEU A 54 97.407 5.760 0.456 1.00 0.00 C ATOM 896 CD2 LEU A 54 97.161 3.359 -0.107 1.00 0.00 C ATOM 0 H LEU A 54 99.132 6.243 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 54 98.163 5.977 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 54 96.008 5.208 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 54 97.163 4.180 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 54 98.804 4.630 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 54 97.880 5.494 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 54 97.787 6.724 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 54 96.328 5.825 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 54 97.617 3.101 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 54 96.082 3.445 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 54 97.381 2.579 -0.836 1.00 0.00 H new ATOM 908 N PHE A 55 95.993 7.684 -1.673 1.00 0.00 N ATOM 909 CA PHE A 55 94.911 8.707 -1.707 1.00 0.00 C ATOM 910 C PHE A 55 95.175 9.714 -2.828 1.00 0.00 C ATOM 911 O PHE A 55 94.287 10.095 -3.558 1.00 0.00 O ATOM 912 CB PHE A 55 94.928 9.442 -0.373 1.00 0.00 C ATOM 913 CG PHE A 55 93.941 8.822 0.577 1.00 0.00 C ATOM 914 CD1 PHE A 55 93.905 7.435 0.744 1.00 0.00 C ATOM 915 CD2 PHE A 55 93.069 9.639 1.302 1.00 0.00 C ATOM 916 CE1 PHE A 55 92.995 6.864 1.638 1.00 0.00 C ATOM 917 CE2 PHE A 55 92.158 9.070 2.194 1.00 0.00 C ATOM 918 CZ PHE A 55 92.120 7.681 2.364 1.00 0.00 C ATOM 0 H PHE A 55 96.188 7.308 -0.745 1.00 0.00 H new ATOM 0 HA PHE A 55 93.948 8.227 -1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.929 9.406 0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.685 10.493 -0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.579 6.805 0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 55 93.100 10.711 1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 55 92.967 5.792 1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 55 91.483 9.701 2.753 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.416 7.240 3.055 1.00 0.00 H new ATOM 928 N ARG A 56 96.397 10.141 -2.969 1.00 0.00 N ATOM 929 CA ARG A 56 96.729 11.110 -4.048 1.00 0.00 C ATOM 930 C ARG A 56 96.666 10.380 -5.390 1.00 0.00 C ATOM 931 O ARG A 56 96.022 10.819 -6.323 1.00 0.00 O ATOM 932 CB ARG A 56 98.140 11.655 -3.825 1.00 0.00 C ATOM 933 CG ARG A 56 98.061 13.135 -3.450 1.00 0.00 C ATOM 934 CD ARG A 56 98.121 13.982 -4.720 1.00 0.00 C ATOM 935 NE ARG A 56 97.645 15.362 -4.422 1.00 0.00 N ATOM 936 CZ ARG A 56 98.431 16.209 -3.809 1.00 0.00 C ATOM 937 NH1 ARG A 56 99.634 15.847 -3.453 1.00 0.00 N ATOM 938 NH2 ARG A 56 98.013 17.417 -3.553 1.00 0.00 N ATOM 0 H ARG A 56 97.182 9.860 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 56 96.022 11.939 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 56 98.637 11.094 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.737 11.529 -4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 56 97.137 13.336 -2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 56 98.884 13.398 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 56 99.142 14.013 -5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 56 97.504 13.533 -5.498 1.00 0.00 H new ATOM 0 HE ARG A 56 96.705 15.647 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 56 99.962 14.902 -3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 56 100.245 16.509 -2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 56 97.074 17.701 -3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 56 98.625 18.078 -3.075 1.00 0.00 H new ATOM 952 N ASN A 57 97.324 9.257 -5.482 1.00 0.00 N ATOM 953 CA ASN A 57 97.312 8.469 -6.741 1.00 0.00 C ATOM 954 C ASN A 57 95.869 8.378 -7.273 1.00 0.00 C ATOM 955 O ASN A 57 95.646 8.189 -8.452 1.00 0.00 O ATOM 956 CB ASN A 57 97.922 7.077 -6.437 1.00 0.00 C ATOM 957 CG ASN A 57 96.911 5.932 -6.610 1.00 0.00 C ATOM 958 OD1 ASN A 57 96.098 5.927 -7.510 1.00 0.00 O ATOM 959 ND2 ASN A 57 96.953 4.934 -5.776 1.00 0.00 N ATOM 0 H ASN A 57 97.876 8.849 -4.727 1.00 0.00 H new ATOM 0 HA ASN A 57 97.908 8.945 -7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 57 98.773 6.907 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 57 98.303 7.068 -5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 57 96.305 4.154 -5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 57 97.634 4.932 -5.017 1.00 0.00 H new ATOM 966 N TRP A 58 94.892 8.511 -6.412 1.00 0.00 N ATOM 967 CA TRP A 58 93.467 8.434 -6.867 1.00 0.00 C ATOM 968 C TRP A 58 93.207 9.482 -7.951 1.00 0.00 C ATOM 969 O TRP A 58 92.733 9.178 -9.027 1.00 0.00 O ATOM 970 CB TRP A 58 92.535 8.738 -5.692 1.00 0.00 C ATOM 971 CG TRP A 58 92.122 7.484 -4.995 1.00 0.00 C ATOM 972 CD1 TRP A 58 90.847 7.160 -4.690 1.00 0.00 C ATOM 973 CD2 TRP A 58 92.950 6.398 -4.491 1.00 0.00 C ATOM 974 NE1 TRP A 58 90.839 5.948 -4.030 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.110 5.440 -3.880 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.331 6.152 -4.502 1.00 0.00 C ATOM 977 CZ2 TRP A 58 92.622 4.285 -3.297 1.00 0.00 C ATOM 978 CZ3 TRP A 58 94.850 4.985 -3.916 1.00 0.00 C ATOM 979 CH2 TRP A 58 93.997 4.057 -3.313 1.00 0.00 C ATOM 0 H TRP A 58 95.018 8.670 -5.412 1.00 0.00 H new ATOM 0 HA TRP A 58 93.282 7.433 -7.256 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.037 9.401 -4.987 1.00 0.00 H new ATOM 0 HB3 TRP A 58 91.652 9.266 -6.052 1.00 0.00 H new ATOM 0 HD1 TRP A 58 89.975 7.753 -4.924 1.00 0.00 H new ATOM 0 HE1 TRP A 58 89.994 5.485 -3.694 1.00 0.00 H new ATOM 0 HE3 TRP A 58 94.999 6.864 -4.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 91.958 3.569 -2.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 95.915 4.804 -3.932 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.402 3.164 -2.860 1.00 0.00 H new ATOM 990 N ALA A 59 93.487 10.722 -7.658 1.00 0.00 N ATOM 991 CA ALA A 59 93.231 11.803 -8.650 1.00 0.00 C ATOM 992 C ALA A 59 94.420 11.947 -9.605 1.00 0.00 C ATOM 993 O ALA A 59 94.603 12.976 -10.224 1.00 0.00 O ATOM 994 CB ALA A 59 93.009 13.120 -7.903 1.00 0.00 C ATOM 0 H ALA A 59 93.883 11.034 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 59 92.346 11.551 -9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.821 13.918 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.151 13.021 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 59 93.897 13.360 -7.318 1.00 0.00 H new ATOM 1000 N ILE A 60 95.219 10.924 -9.743 1.00 0.00 N ATOM 1001 CA ILE A 60 96.384 11.007 -10.672 1.00 0.00 C ATOM 1002 C ILE A 60 96.717 9.607 -11.192 1.00 0.00 C ATOM 1003 O ILE A 60 96.503 9.294 -12.346 1.00 0.00 O ATOM 1004 CB ILE A 60 97.601 11.575 -9.935 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.364 13.052 -9.610 1.00 0.00 C ATOM 1006 CG2 ILE A 60 98.836 11.449 -10.829 1.00 0.00 C ATOM 1007 CD1 ILE A 60 96.862 13.184 -8.171 1.00 0.00 C ATOM 0 H ILE A 60 95.116 10.035 -9.254 1.00 0.00 H new ATOM 0 HA ILE A 60 96.131 11.662 -11.506 1.00 0.00 H new ATOM 0 HB ILE A 60 97.755 11.020 -9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 60 98.288 13.616 -9.737 1.00 0.00 H new ATOM 0 HG13 ILE A 60 96.635 13.475 -10.301 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.705 11.852 -10.308 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.009 10.399 -11.064 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.675 12.006 -11.752 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.693 14.236 -7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 60 95.928 12.634 -8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 60 97.607 12.777 -7.487 1.00 0.00 H new ATOM 1019 N HIS A 61 97.241 8.766 -10.345 1.00 0.00 N ATOM 1020 CA HIS A 61 97.596 7.384 -10.777 1.00 0.00 C ATOM 1021 C HIS A 61 96.361 6.684 -11.360 1.00 0.00 C ATOM 1022 O HIS A 61 96.244 6.519 -12.558 1.00 0.00 O ATOM 1023 CB HIS A 61 98.122 6.609 -9.566 1.00 0.00 C ATOM 1024 CG HIS A 61 98.093 5.133 -9.850 1.00 0.00 C ATOM 1025 ND1 HIS A 61 97.226 4.140 -9.464 1.00 0.00 N flip ATOM 1026 CD2 HIS A 61 99.050 4.516 -10.637 1.00 0.00 C flip ATOM 1027 CE1 HIS A 61 97.639 2.925 -10.003 1.00 0.00 C flip ATOM 1028 NE2 HIS A 61 98.742 3.210 -10.700 1.00 0.00 N flip ATOM 0 H HIS A 61 97.440 8.977 -9.367 1.00 0.00 H new ATOM 0 HA HIS A 61 98.365 7.423 -11.548 1.00 0.00 H new ATOM 0 HB2 HIS A 61 99.140 6.924 -9.336 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.514 6.831 -8.689 1.00 0.00 H new ATOM 0 HD1 HIS A 61 96.405 4.273 -8.873 1.00 0.00 H new ATOM 0 HD2 HIS A 61 99.891 4.997 -11.114 1.00 0.00 H new ATOM 0 HE1 HIS A 61 97.169 1.960 -9.883 1.00 0.00 H new ATOM 1036 N THR A 62 95.446 6.261 -10.524 1.00 0.00 N ATOM 1037 CA THR A 62 94.226 5.564 -11.036 1.00 0.00 C ATOM 1038 C THR A 62 93.721 6.272 -12.295 1.00 0.00 C ATOM 1039 O THR A 62 93.195 5.654 -13.199 1.00 0.00 O ATOM 1040 CB THR A 62 93.126 5.593 -9.971 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.957 6.922 -9.504 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.508 4.687 -8.799 1.00 0.00 C ATOM 0 H THR A 62 95.491 6.368 -9.511 1.00 0.00 H new ATOM 0 HA THR A 62 94.480 4.530 -11.271 1.00 0.00 H new ATOM 0 HB THR A 62 92.194 5.236 -10.410 1.00 0.00 H new ATOM 0 HG1 THR A 62 92.644 7.490 -10.239 1.00 0.00 H new ATOM 0 HG21 THR A 62 92.720 4.714 -8.046 1.00 0.00 H new ATOM 0 HG22 THR A 62 93.635 3.665 -9.156 1.00 0.00 H new ATOM 0 HG23 THR A 62 94.442 5.036 -8.359 1.00 0.00 H new ATOM 1050 N GLY A 63 93.873 7.566 -12.356 1.00 0.00 N ATOM 1051 CA GLY A 63 93.398 8.315 -13.551 1.00 0.00 C ATOM 1052 C GLY A 63 91.985 8.837 -13.290 1.00 0.00 C ATOM 1053 O GLY A 63 91.010 8.291 -13.768 1.00 0.00 O ATOM 0 H GLY A 63 94.306 8.136 -11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.071 9.145 -13.766 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.403 7.666 -14.427 1.00 0.00 H new ATOM 1057 N LYS A 64 91.869 9.889 -12.529 1.00 0.00 N ATOM 1058 CA LYS A 64 90.522 10.448 -12.231 1.00 0.00 C ATOM 1059 C LYS A 64 90.658 11.934 -11.895 1.00 0.00 C ATOM 1060 O LYS A 64 89.842 12.500 -11.196 1.00 0.00 O ATOM 1061 CB LYS A 64 89.916 9.709 -11.037 1.00 0.00 C ATOM 1062 CG LYS A 64 89.216 8.439 -11.526 1.00 0.00 C ATOM 1063 CD LYS A 64 90.023 7.213 -11.095 1.00 0.00 C ATOM 1064 CE LYS A 64 89.917 7.041 -9.579 1.00 0.00 C ATOM 1065 NZ LYS A 64 88.639 6.352 -9.244 1.00 0.00 N ATOM 0 H LYS A 64 92.650 10.386 -12.100 1.00 0.00 H new ATOM 0 HA LYS A 64 89.874 10.326 -13.099 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.696 9.454 -10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 64 89.205 10.353 -10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 64 88.207 8.386 -11.116 1.00 0.00 H new ATOM 0 HG3 LYS A 64 89.118 8.460 -12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 64 89.649 6.322 -11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 64 91.067 7.330 -11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 64 90.763 6.462 -9.208 1.00 0.00 H new ATOM 0 HE3 LYS A 64 89.957 8.014 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 88.312 6.664 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 87.920 6.587 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 88.792 5.323 -9.233 1.00 0.00 H new ATOM 1079 N HIS A 65 91.687 12.568 -12.387 1.00 0.00 N ATOM 1080 CA HIS A 65 91.876 14.015 -12.096 1.00 0.00 C ATOM 1081 C HIS A 65 93.289 14.441 -12.513 1.00 0.00 C ATOM 1082 O HIS A 65 94.152 13.624 -12.763 1.00 0.00 O ATOM 1083 CB HIS A 65 91.683 14.260 -10.589 1.00 0.00 C ATOM 1084 CG HIS A 65 92.388 15.529 -10.174 1.00 0.00 C ATOM 1085 ND1 HIS A 65 91.731 16.744 -10.065 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.699 15.783 -9.851 1.00 0.00 C ATOM 1087 CE1 HIS A 65 92.642 17.665 -9.694 1.00 0.00 C ATOM 1088 NE2 HIS A 65 93.856 17.131 -9.550 1.00 0.00 N ATOM 0 H HIS A 65 92.404 12.146 -12.977 1.00 0.00 H new ATOM 0 HA HIS A 65 91.145 14.600 -12.655 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.620 14.333 -10.358 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.075 13.415 -10.022 1.00 0.00 H new ATOM 0 HD1 HIS A 65 90.739 16.911 -10.235 1.00 0.00 H new ATOM 0 HD2 HIS A 65 94.489 15.046 -9.834 1.00 0.00 H new ATOM 0 HE1 HIS A 65 92.417 18.709 -9.533 1.00 0.00 H new ATOM 1096 N GLN A 66 93.525 15.722 -12.569 1.00 0.00 N ATOM 1097 CA GLN A 66 94.873 16.223 -12.946 1.00 0.00 C ATOM 1098 C GLN A 66 95.190 17.455 -12.088 1.00 0.00 C ATOM 1099 O GLN A 66 94.411 18.386 -12.048 1.00 0.00 O ATOM 1100 CB GLN A 66 94.877 16.617 -14.425 1.00 0.00 C ATOM 1101 CG GLN A 66 94.421 15.429 -15.273 1.00 0.00 C ATOM 1102 CD GLN A 66 93.997 15.925 -16.655 1.00 0.00 C ATOM 1103 OE1 GLN A 66 94.406 15.382 -17.662 1.00 0.00 O ATOM 1104 NE2 GLN A 66 93.189 16.945 -16.747 1.00 0.00 N ATOM 0 H GLN A 66 92.836 16.447 -12.368 1.00 0.00 H new ATOM 0 HA GLN A 66 95.621 15.447 -12.781 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.215 17.468 -14.587 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.877 16.929 -14.726 1.00 0.00 H new ATOM 0 HG2 GLN A 66 95.229 14.704 -15.367 1.00 0.00 H new ATOM 0 HG3 GLN A 66 93.590 14.919 -14.787 1.00 0.00 H new ATOM 0 HE21 GLN A 66 92.845 17.401 -15.902 1.00 0.00 H new ATOM 0 HE22 GLN A 66 92.901 17.286 -17.664 1.00 0.00 H new ATOM 1113 N PRO A 67 96.316 17.428 -11.422 1.00 0.00 N ATOM 1114 CA PRO A 67 96.739 18.540 -10.555 1.00 0.00 C ATOM 1115 C PRO A 67 97.264 19.701 -11.404 1.00 0.00 C ATOM 1116 O PRO A 67 97.852 19.502 -12.449 1.00 0.00 O ATOM 1117 CB PRO A 67 97.851 17.929 -9.699 1.00 0.00 C ATOM 1118 CG PRO A 67 98.383 16.707 -10.486 1.00 0.00 C ATOM 1119 CD PRO A 67 97.269 16.301 -11.471 1.00 0.00 C ATOM 0 HA PRO A 67 95.930 18.950 -9.951 1.00 0.00 H new ATOM 0 HB2 PRO A 67 98.646 18.653 -9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 67 97.470 17.627 -8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.300 16.958 -11.020 1.00 0.00 H new ATOM 0 HG3 PRO A 67 98.622 15.885 -9.811 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.661 16.154 -12.477 1.00 0.00 H new ATOM 0 HD3 PRO A 67 96.795 15.365 -11.174 1.00 0.00 H new ATOM 1127 N GLY A 68 97.050 20.911 -10.968 1.00 0.00 N ATOM 1128 CA GLY A 68 97.529 22.083 -11.754 1.00 0.00 C ATOM 1129 C GLY A 68 96.562 22.345 -12.911 1.00 0.00 C ATOM 1130 O GLY A 68 96.830 23.144 -13.786 1.00 0.00 O ATOM 0 H GLY A 68 96.564 21.139 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 68 97.595 22.963 -11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.531 21.893 -12.138 1.00 0.00 H new ATOM 1134 N ILE A 69 95.441 21.676 -12.923 1.00 0.00 N ATOM 1135 CA ILE A 69 94.458 21.884 -14.023 1.00 0.00 C ATOM 1136 C ILE A 69 93.052 22.008 -13.432 1.00 0.00 C ATOM 1137 O ILE A 69 92.540 23.093 -13.243 1.00 0.00 O ATOM 1138 CB ILE A 69 94.509 20.691 -14.984 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.770 20.790 -15.847 1.00 0.00 C ATOM 1140 CG2 ILE A 69 93.275 20.699 -15.887 1.00 0.00 C ATOM 1141 CD1 ILE A 69 96.171 19.394 -16.327 1.00 0.00 C ATOM 0 H ILE A 69 95.164 20.994 -12.217 1.00 0.00 H new ATOM 0 HA ILE A 69 94.704 22.797 -14.566 1.00 0.00 H new ATOM 0 HB ILE A 69 94.527 19.765 -14.409 1.00 0.00 H new ATOM 0 HG12 ILE A 69 95.588 21.442 -16.702 1.00 0.00 H new ATOM 0 HG13 ILE A 69 96.582 21.236 -15.273 1.00 0.00 H new ATOM 0 HG21 ILE A 69 93.317 19.849 -16.568 1.00 0.00 H new ATOM 0 HG22 ILE A 69 92.376 20.630 -15.275 1.00 0.00 H new ATOM 0 HG23 ILE A 69 93.252 21.624 -16.463 1.00 0.00 H new ATOM 0 HD11 ILE A 69 97.069 19.464 -16.941 1.00 0.00 H new ATOM 0 HD12 ILE A 69 96.370 18.756 -15.466 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.361 18.965 -16.916 1.00 0.00 H new ATOM 1153 N ASP A 70 92.423 20.903 -13.136 1.00 0.00 N ATOM 1154 CA ASP A 70 91.051 20.960 -12.557 1.00 0.00 C ATOM 1155 C ASP A 70 91.144 21.102 -11.036 1.00 0.00 C ATOM 1156 O ASP A 70 92.169 20.834 -10.441 1.00 0.00 O ATOM 1157 CB ASP A 70 90.294 19.676 -12.905 1.00 0.00 C ATOM 1158 CG ASP A 70 89.803 19.752 -14.352 1.00 0.00 C ATOM 1159 OD1 ASP A 70 90.081 20.748 -15.000 1.00 0.00 O ATOM 1160 OD2 ASP A 70 89.156 18.814 -14.788 1.00 0.00 O ATOM 0 H ASP A 70 92.800 19.965 -13.270 1.00 0.00 H new ATOM 0 HA ASP A 70 90.519 21.817 -12.970 1.00 0.00 H new ATOM 0 HB2 ASP A 70 90.944 18.811 -12.775 1.00 0.00 H new ATOM 0 HB3 ASP A 70 89.449 19.544 -12.229 1.00 0.00 H new ATOM 1165 N LYS A 71 90.083 21.522 -10.403 1.00 0.00 N ATOM 1166 CA LYS A 71 90.115 21.681 -8.924 1.00 0.00 C ATOM 1167 C LYS A 71 90.258 20.301 -8.267 1.00 0.00 C ATOM 1168 O LYS A 71 89.583 19.365 -8.648 1.00 0.00 O ATOM 1169 CB LYS A 71 88.817 22.340 -8.456 1.00 0.00 C ATOM 1170 CG LYS A 71 88.976 23.861 -8.495 1.00 0.00 C ATOM 1171 CD LYS A 71 88.926 24.417 -7.071 1.00 0.00 C ATOM 1172 CE LYS A 71 88.965 25.946 -7.118 1.00 0.00 C ATOM 1173 NZ LYS A 71 87.739 26.494 -6.475 1.00 0.00 N ATOM 0 H LYS A 71 89.196 21.761 -10.847 1.00 0.00 H new ATOM 0 HA LYS A 71 90.961 22.307 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 71 87.989 22.033 -9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.575 22.014 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 71 89.922 24.126 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 71 88.184 24.305 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 71 88.018 24.081 -6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 71 89.768 24.039 -6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 71 89.853 26.314 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 71 89.030 26.287 -8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.765 27.533 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 86.898 26.153 -6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 87.696 26.179 -5.485 1.00 0.00 H new ATOM 1187 N PRO A 72 91.139 20.212 -7.301 1.00 0.00 N ATOM 1188 CA PRO A 72 91.398 18.957 -6.576 1.00 0.00 C ATOM 1189 C PRO A 72 90.311 18.700 -5.527 1.00 0.00 C ATOM 1190 O PRO A 72 89.636 19.607 -5.080 1.00 0.00 O ATOM 1191 CB PRO A 72 92.753 19.201 -5.907 1.00 0.00 C ATOM 1192 CG PRO A 72 92.922 20.736 -5.809 1.00 0.00 C ATOM 1193 CD PRO A 72 91.960 21.352 -6.843 1.00 0.00 C ATOM 0 HA PRO A 72 91.398 18.083 -7.227 1.00 0.00 H new ATOM 0 HB2 PRO A 72 92.786 18.743 -4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.560 18.758 -6.491 1.00 0.00 H new ATOM 0 HG2 PRO A 72 92.688 21.088 -4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 72 93.952 21.026 -6.017 1.00 0.00 H new ATOM 0 HD2 PRO A 72 91.344 22.133 -6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 72 92.504 21.808 -7.670 1.00 0.00 H new ATOM 1201 N ASP A 73 90.142 17.468 -5.132 1.00 0.00 N ATOM 1202 CA ASP A 73 89.106 17.140 -4.112 1.00 0.00 C ATOM 1203 C ASP A 73 89.553 15.904 -3.320 1.00 0.00 C ATOM 1204 O ASP A 73 89.390 14.788 -3.776 1.00 0.00 O ATOM 1205 CB ASP A 73 87.779 16.842 -4.815 1.00 0.00 C ATOM 1206 CG ASP A 73 87.973 15.703 -5.818 1.00 0.00 C ATOM 1207 OD1 ASP A 73 88.701 15.902 -6.776 1.00 0.00 O ATOM 1208 OD2 ASP A 73 87.389 14.652 -5.612 1.00 0.00 O ATOM 0 H ASP A 73 90.679 16.671 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 73 88.977 17.983 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.021 16.569 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 73 87.419 17.734 -5.328 1.00 0.00 H new ATOM 1213 N PRO A 74 90.111 16.139 -2.158 1.00 0.00 N ATOM 1214 CA PRO A 74 90.601 15.060 -1.279 1.00 0.00 C ATOM 1215 C PRO A 74 89.437 14.371 -0.558 1.00 0.00 C ATOM 1216 O PRO A 74 89.608 13.348 0.074 1.00 0.00 O ATOM 1217 CB PRO A 74 91.504 15.791 -0.282 1.00 0.00 C ATOM 1218 CG PRO A 74 91.049 17.269 -0.283 1.00 0.00 C ATOM 1219 CD PRO A 74 90.305 17.499 -1.613 1.00 0.00 C ATOM 0 HA PRO A 74 91.121 14.273 -1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 74 91.414 15.358 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 74 92.551 15.707 -0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 74 90.397 17.474 0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 74 91.905 17.938 -0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 74 89.352 18.004 -1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.887 18.121 -2.293 1.00 0.00 H new ATOM 1227 N LYS A 75 88.255 14.916 -0.649 1.00 0.00 N ATOM 1228 CA LYS A 75 87.093 14.280 0.032 1.00 0.00 C ATOM 1229 C LYS A 75 86.700 13.007 -0.721 1.00 0.00 C ATOM 1230 O LYS A 75 86.679 11.927 -0.164 1.00 0.00 O ATOM 1231 CB LYS A 75 85.911 15.249 0.043 1.00 0.00 C ATOM 1232 CG LYS A 75 86.159 16.346 1.080 1.00 0.00 C ATOM 1233 CD LYS A 75 85.463 17.634 0.639 1.00 0.00 C ATOM 1234 CE LYS A 75 83.949 17.420 0.635 1.00 0.00 C ATOM 1235 NZ LYS A 75 83.463 17.285 2.037 1.00 0.00 N ATOM 0 H LYS A 75 88.044 15.771 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 75 87.365 14.031 1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.780 15.691 -0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.991 14.714 0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 75 85.783 16.032 2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 75 87.229 16.519 1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 75 85.724 18.450 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 75 85.803 17.921 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 75 83.454 18.259 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 75 83.699 16.526 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 82.436 17.445 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 83.675 16.329 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 83.939 17.987 2.639 1.00 0.00 H new ATOM 1249 N THR A 76 86.395 13.126 -1.983 1.00 0.00 N ATOM 1250 CA THR A 76 86.006 11.924 -2.772 1.00 0.00 C ATOM 1251 C THR A 76 87.234 11.033 -2.970 1.00 0.00 C ATOM 1252 O THR A 76 87.129 9.897 -3.389 1.00 0.00 O ATOM 1253 CB THR A 76 85.467 12.364 -4.136 1.00 0.00 C ATOM 1254 OG1 THR A 76 84.816 13.619 -4.004 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.474 11.323 -4.654 1.00 0.00 C ATOM 0 H THR A 76 86.398 14.004 -2.502 1.00 0.00 H new ATOM 0 HA THR A 76 85.234 11.368 -2.240 1.00 0.00 H new ATOM 0 HB THR A 76 86.293 12.456 -4.841 1.00 0.00 H new ATOM 0 HG1 THR A 76 85.359 14.316 -4.428 1.00 0.00 H new ATOM 0 HG21 THR A 76 84.091 11.637 -5.625 1.00 0.00 H new ATOM 0 HG22 THR A 76 84.976 10.361 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.647 11.228 -3.951 1.00 0.00 H new ATOM 1263 N TRP A 77 88.400 11.541 -2.674 1.00 0.00 N ATOM 1264 CA TRP A 77 89.635 10.726 -2.844 1.00 0.00 C ATOM 1265 C TRP A 77 89.688 9.638 -1.769 1.00 0.00 C ATOM 1266 O TRP A 77 90.572 8.805 -1.758 1.00 0.00 O ATOM 1267 CB TRP A 77 90.863 11.631 -2.715 1.00 0.00 C ATOM 1268 CG TRP A 77 90.955 12.523 -3.911 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.122 12.480 -4.976 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.915 13.586 -4.184 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.509 13.447 -5.886 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.609 14.155 -5.443 1.00 0.00 C ATOM 1273 CE3 TRP A 77 93.011 14.108 -3.471 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.363 15.202 -5.976 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.771 15.162 -4.004 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.447 15.708 -5.254 1.00 0.00 C ATOM 0 H TRP A 77 88.550 12.486 -2.321 1.00 0.00 H new ATOM 0 HA TRP A 77 89.627 10.259 -3.829 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.793 12.229 -1.807 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.766 11.026 -2.629 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.290 11.801 -5.096 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.039 13.617 -6.775 1.00 0.00 H new ATOM 0 HE3 TRP A 77 93.269 13.695 -2.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.110 15.618 -6.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 94.610 15.554 -3.448 1.00 0.00 H new ATOM 0 HH2 TRP A 77 94.035 16.519 -5.658 1.00 0.00 H new ATOM 1287 N LYS A 78 88.747 9.638 -0.863 1.00 0.00 N ATOM 1288 CA LYS A 78 88.747 8.603 0.209 1.00 0.00 C ATOM 1289 C LYS A 78 87.580 7.641 -0.014 1.00 0.00 C ATOM 1290 O LYS A 78 87.699 6.448 0.189 1.00 0.00 O ATOM 1291 CB LYS A 78 88.596 9.281 1.573 1.00 0.00 C ATOM 1292 CG LYS A 78 88.863 8.263 2.683 1.00 0.00 C ATOM 1293 CD LYS A 78 87.650 8.189 3.613 1.00 0.00 C ATOM 1294 CE LYS A 78 88.082 8.520 5.043 1.00 0.00 C ATOM 1295 NZ LYS A 78 87.622 9.892 5.396 1.00 0.00 N ATOM 0 H LYS A 78 87.980 10.309 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 78 89.686 8.050 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 78 89.293 10.115 1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.592 9.693 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 78 89.063 7.283 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 78 89.750 8.550 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 78 86.882 8.888 3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 78 87.210 7.192 3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 78 87.661 7.794 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 78 89.166 8.455 5.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 87.916 10.117 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 88.043 10.579 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 86.585 9.939 5.328 1.00 0.00 H new ATOM 1309 N ALA A 79 86.452 8.147 -0.433 1.00 0.00 N ATOM 1310 CA ALA A 79 85.280 7.257 -0.671 1.00 0.00 C ATOM 1311 C ALA A 79 85.651 6.207 -1.720 1.00 0.00 C ATOM 1312 O ALA A 79 85.402 5.030 -1.549 1.00 0.00 O ATOM 1313 CB ALA A 79 84.101 8.091 -1.177 1.00 0.00 C ATOM 0 H ALA A 79 86.291 9.137 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 79 85.000 6.762 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.244 7.441 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.841 8.843 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.378 8.584 -2.109 1.00 0.00 H new ATOM 1319 N ASN A 80 86.249 6.624 -2.803 1.00 0.00 N ATOM 1320 CA ASN A 80 86.642 5.648 -3.859 1.00 0.00 C ATOM 1321 C ASN A 80 87.626 4.640 -3.266 1.00 0.00 C ATOM 1322 O ASN A 80 87.778 3.539 -3.759 1.00 0.00 O ATOM 1323 CB ASN A 80 87.311 6.389 -5.018 1.00 0.00 C ATOM 1324 CG ASN A 80 86.247 7.103 -5.853 1.00 0.00 C ATOM 1325 OD1 ASN A 80 85.682 8.182 -5.385 1.00 0.00 O flip ATOM 1326 ND2 ASN A 80 85.927 6.673 -6.944 1.00 0.00 N flip ATOM 0 H ASN A 80 86.482 7.597 -3.002 1.00 0.00 H new ATOM 0 HA ASN A 80 85.757 5.129 -4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 80 88.031 7.111 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 80 87.865 5.687 -5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.369 5.829 -7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 80 85.217 7.156 -7.494 1.00 0.00 H new ATOM 1333 N PHE A 81 88.295 5.011 -2.209 1.00 0.00 N ATOM 1334 CA PHE A 81 89.269 4.080 -1.577 1.00 0.00 C ATOM 1335 C PHE A 81 88.521 2.875 -1.006 1.00 0.00 C ATOM 1336 O PHE A 81 88.887 1.740 -1.235 1.00 0.00 O ATOM 1337 CB PHE A 81 90.005 4.806 -0.449 1.00 0.00 C ATOM 1338 CG PHE A 81 91.306 4.099 -0.157 1.00 0.00 C ATOM 1339 CD1 PHE A 81 91.297 2.847 0.471 1.00 0.00 C ATOM 1340 CD2 PHE A 81 92.520 4.694 -0.513 1.00 0.00 C ATOM 1341 CE1 PHE A 81 92.504 2.191 0.741 1.00 0.00 C ATOM 1342 CE2 PHE A 81 93.727 4.039 -0.243 1.00 0.00 C ATOM 1343 CZ PHE A 81 93.719 2.788 0.385 1.00 0.00 C ATOM 0 H PHE A 81 88.208 5.921 -1.756 1.00 0.00 H new ATOM 0 HA PHE A 81 89.989 3.741 -2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.197 5.841 -0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 81 89.384 4.832 0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 81 90.359 2.388 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.526 5.660 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 81 92.498 1.225 1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 81 94.664 4.499 -0.519 1.00 0.00 H new ATOM 0 HZ PHE A 81 94.650 2.283 0.595 1.00 0.00 H new ATOM 1353 N ARG A 82 87.477 3.113 -0.258 1.00 0.00 N ATOM 1354 CA ARG A 82 86.708 1.984 0.336 1.00 0.00 C ATOM 1355 C ARG A 82 86.305 0.996 -0.764 1.00 0.00 C ATOM 1356 O ARG A 82 86.096 -0.175 -0.511 1.00 0.00 O ATOM 1357 CB ARG A 82 85.454 2.529 1.026 1.00 0.00 C ATOM 1358 CG ARG A 82 84.414 2.925 -0.025 1.00 0.00 C ATOM 1359 CD ARG A 82 83.348 1.831 -0.131 1.00 0.00 C ATOM 1360 NE ARG A 82 82.445 1.901 1.052 1.00 0.00 N ATOM 1361 CZ ARG A 82 81.452 1.059 1.169 1.00 0.00 C ATOM 1362 NH1 ARG A 82 81.246 0.154 0.249 1.00 0.00 N ATOM 1363 NH2 ARG A 82 80.663 1.122 2.207 1.00 0.00 N ATOM 0 H ARG A 82 87.124 4.043 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 82 87.330 1.468 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 82 85.039 1.775 1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.712 3.392 1.639 1.00 0.00 H new ATOM 0 HG2 ARG A 82 83.950 3.873 0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 82 84.896 3.072 -0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 82 82.773 1.956 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 82 83.822 0.851 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 82 82.602 2.607 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 82 81.861 0.103 -0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 82 80.470 -0.502 0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 82 80.822 1.828 2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 82 79.888 0.465 2.299 1.00 0.00 H new ATOM 1377 N CYS A 83 86.195 1.454 -1.983 1.00 0.00 N ATOM 1378 CA CYS A 83 85.806 0.533 -3.091 1.00 0.00 C ATOM 1379 C CYS A 83 86.930 -0.477 -3.326 1.00 0.00 C ATOM 1380 O CYS A 83 86.691 -1.646 -3.556 1.00 0.00 O ATOM 1381 CB CYS A 83 85.570 1.339 -4.369 1.00 0.00 C ATOM 1382 SG CYS A 83 84.123 2.404 -4.151 1.00 0.00 S ATOM 0 H CYS A 83 86.357 2.423 -2.259 1.00 0.00 H new ATOM 0 HA CYS A 83 84.890 0.006 -2.822 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.448 1.943 -4.598 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.416 0.666 -5.213 1.00 0.00 H new ATOM 0 HG CYS A 83 83.923 3.091 -5.236 1.00 0.00 H new ATOM 1388 N ALA A 84 88.155 -0.033 -3.266 1.00 0.00 N ATOM 1389 CA ALA A 84 89.302 -0.961 -3.480 1.00 0.00 C ATOM 1390 C ALA A 84 89.153 -2.182 -2.570 1.00 0.00 C ATOM 1391 O ALA A 84 89.740 -3.218 -2.804 1.00 0.00 O ATOM 1392 CB ALA A 84 90.607 -0.236 -3.146 1.00 0.00 C ATOM 0 H ALA A 84 88.412 0.936 -3.077 1.00 0.00 H new ATOM 0 HA ALA A 84 89.317 -1.286 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.448 -0.911 -3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.716 0.634 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.588 0.087 -2.105 1.00 0.00 H new ATOM 1398 N MET A 85 88.370 -2.068 -1.533 1.00 0.00 N ATOM 1399 CA MET A 85 88.181 -3.221 -0.610 1.00 0.00 C ATOM 1400 C MET A 85 87.034 -4.088 -1.124 1.00 0.00 C ATOM 1401 O MET A 85 87.069 -5.299 -1.038 1.00 0.00 O ATOM 1402 CB MET A 85 87.855 -2.699 0.788 1.00 0.00 C ATOM 1403 CG MET A 85 89.057 -1.923 1.326 1.00 0.00 C ATOM 1404 SD MET A 85 89.069 -0.260 0.617 1.00 0.00 S ATOM 1405 CE MET A 85 90.748 -0.308 -0.057 1.00 0.00 C ATOM 0 H MET A 85 87.852 -1.225 -1.285 1.00 0.00 H new ATOM 0 HA MET A 85 89.092 -3.817 -0.565 1.00 0.00 H new ATOM 0 HB2 MET A 85 86.977 -2.055 0.753 1.00 0.00 H new ATOM 0 HB3 MET A 85 87.615 -3.529 1.453 1.00 0.00 H new ATOM 0 HG2 MET A 85 89.009 -1.866 2.413 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.981 -2.443 1.075 1.00 0.00 H new ATOM 0 HE1 MET A 85 90.902 0.550 -0.712 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.469 -0.275 0.760 1.00 0.00 H new ATOM 0 HE3 MET A 85 90.886 -1.228 -0.626 1.00 0.00 H new ATOM 1415 N ASN A 86 86.021 -3.475 -1.670 1.00 0.00 N ATOM 1416 CA ASN A 86 84.875 -4.262 -2.204 1.00 0.00 C ATOM 1417 C ASN A 86 85.234 -4.794 -3.592 1.00 0.00 C ATOM 1418 O ASN A 86 84.413 -5.372 -4.275 1.00 0.00 O ATOM 1419 CB ASN A 86 83.643 -3.360 -2.315 1.00 0.00 C ATOM 1420 CG ASN A 86 82.918 -3.313 -0.970 1.00 0.00 C ATOM 1421 OD1 ASN A 86 82.381 -4.306 -0.521 1.00 0.00 O ATOM 1422 ND2 ASN A 86 82.877 -2.191 -0.303 1.00 0.00 N ATOM 0 H ASN A 86 85.937 -2.463 -1.769 1.00 0.00 H new ATOM 0 HA ASN A 86 84.660 -5.093 -1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 86 83.941 -2.355 -2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 86 82.973 -3.736 -3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 86 82.394 -2.149 0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 86 83.328 -1.357 -0.680 1.00 0.00 H new ATOM 1429 N SER A 87 86.455 -4.603 -4.019 1.00 0.00 N ATOM 1430 CA SER A 87 86.856 -5.095 -5.364 1.00 0.00 C ATOM 1431 C SER A 87 87.730 -6.330 -5.212 1.00 0.00 C ATOM 1432 O SER A 87 87.760 -6.937 -4.166 1.00 0.00 O ATOM 1433 CB SER A 87 87.631 -4.005 -6.104 1.00 0.00 C ATOM 1434 OG SER A 87 87.566 -4.251 -7.503 1.00 0.00 O ATOM 0 H SER A 87 87.189 -4.128 -3.493 1.00 0.00 H new ATOM 0 HA SER A 87 85.964 -5.350 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.212 -3.025 -5.875 1.00 0.00 H new ATOM 0 HB3 SER A 87 88.669 -3.992 -5.773 1.00 0.00 H new ATOM 0 HG SER A 87 88.060 -3.553 -7.981 1.00 0.00 H new ATOM 1440 N LEU A 88 88.434 -6.691 -6.258 1.00 0.00 N ATOM 1441 CA LEU A 88 89.326 -7.894 -6.222 1.00 0.00 C ATOM 1442 C LEU A 88 88.744 -8.962 -5.279 1.00 0.00 C ATOM 1443 O LEU A 88 88.855 -8.855 -4.076 1.00 0.00 O ATOM 1444 CB LEU A 88 90.725 -7.493 -5.732 1.00 0.00 C ATOM 1445 CG LEU A 88 90.849 -5.966 -5.623 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.345 -5.499 -4.253 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.317 -5.567 -5.784 1.00 0.00 C ATOM 0 H LEU A 88 88.428 -6.195 -7.149 1.00 0.00 H new ATOM 0 HA LEU A 88 89.395 -8.305 -7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.919 -7.948 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.479 -7.875 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 88 90.250 -5.499 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.436 -4.415 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.300 -5.784 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 88 90.941 -5.965 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.410 -4.484 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.910 -6.039 -5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.678 -5.894 -6.759 1.00 0.00 H new ATOM 1459 N PRO A 89 88.149 -9.977 -5.853 1.00 0.00 N ATOM 1460 CA PRO A 89 87.535 -11.077 -5.078 1.00 0.00 C ATOM 1461 C PRO A 89 88.592 -11.986 -4.432 1.00 0.00 C ATOM 1462 O PRO A 89 88.323 -13.126 -4.111 1.00 0.00 O ATOM 1463 CB PRO A 89 86.715 -11.839 -6.122 1.00 0.00 C ATOM 1464 CG PRO A 89 87.328 -11.488 -7.496 1.00 0.00 C ATOM 1465 CD PRO A 89 88.045 -10.137 -7.317 1.00 0.00 C ATOM 0 HA PRO A 89 86.934 -10.711 -4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.757 -12.913 -5.941 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.665 -11.549 -6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 89 88.027 -12.260 -7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.554 -11.419 -8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 89 89.028 -10.142 -7.789 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.479 -9.322 -7.768 1.00 0.00 H new ATOM 1473 N ASP A 90 89.782 -11.493 -4.222 1.00 0.00 N ATOM 1474 CA ASP A 90 90.830 -12.323 -3.583 1.00 0.00 C ATOM 1475 C ASP A 90 91.300 -11.623 -2.304 1.00 0.00 C ATOM 1476 O ASP A 90 92.148 -12.121 -1.590 1.00 0.00 O ATOM 1477 CB ASP A 90 92.012 -12.479 -4.543 1.00 0.00 C ATOM 1478 CG ASP A 90 91.497 -12.858 -5.934 1.00 0.00 C ATOM 1479 OD1 ASP A 90 90.607 -12.181 -6.420 1.00 0.00 O ATOM 1480 OD2 ASP A 90 92.004 -13.820 -6.489 1.00 0.00 O ATOM 0 H ASP A 90 90.070 -10.546 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 90 90.430 -13.308 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.577 -11.548 -4.594 1.00 0.00 H new ATOM 0 HB3 ASP A 90 92.694 -13.246 -4.175 1.00 0.00 H new ATOM 1485 N ILE A 91 90.757 -10.468 -2.007 1.00 0.00 N ATOM 1486 CA ILE A 91 91.182 -9.741 -0.779 1.00 0.00 C ATOM 1487 C ILE A 91 90.298 -10.167 0.398 1.00 0.00 C ATOM 1488 O ILE A 91 89.088 -10.202 0.297 1.00 0.00 O ATOM 1489 CB ILE A 91 91.094 -8.202 -0.995 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.985 -7.582 -0.125 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.801 -7.870 -2.462 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.718 -6.142 -0.572 1.00 0.00 C ATOM 0 H ILE A 91 90.040 -10.001 -2.562 1.00 0.00 H new ATOM 0 HA ILE A 91 92.219 -9.992 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 91 92.059 -7.785 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 91 89.073 -8.173 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 91 90.282 -7.598 0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.744 -6.789 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.598 -8.266 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.852 -8.319 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.933 -5.709 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.629 -5.553 -0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.402 -6.138 -1.615 1.00 0.00 H new ATOM 1504 N GLU A 92 90.891 -10.470 1.517 1.00 0.00 N ATOM 1505 CA GLU A 92 90.075 -10.868 2.697 1.00 0.00 C ATOM 1506 C GLU A 92 90.319 -9.872 3.828 1.00 0.00 C ATOM 1507 O GLU A 92 91.292 -9.956 4.550 1.00 0.00 O ATOM 1508 CB GLU A 92 90.462 -12.276 3.147 1.00 0.00 C ATOM 1509 CG GLU A 92 89.225 -13.175 3.103 1.00 0.00 C ATOM 1510 CD GLU A 92 88.968 -13.775 4.489 1.00 0.00 C ATOM 1511 OE1 GLU A 92 89.659 -13.393 5.418 1.00 0.00 O ATOM 1512 OE2 GLU A 92 88.084 -14.609 4.595 1.00 0.00 O ATOM 0 H GLU A 92 91.900 -10.460 1.666 1.00 0.00 H new ATOM 0 HA GLU A 92 89.018 -10.866 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 92 91.241 -12.677 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.871 -12.249 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.358 -12.600 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 92 89.369 -13.972 2.373 1.00 0.00 H new ATOM 1519 N GLU A 93 89.444 -8.918 3.973 1.00 0.00 N ATOM 1520 CA GLU A 93 89.621 -7.897 5.038 1.00 0.00 C ATOM 1521 C GLU A 93 89.382 -8.515 6.413 1.00 0.00 C ATOM 1522 O GLU A 93 88.403 -9.197 6.643 1.00 0.00 O ATOM 1523 CB GLU A 93 88.627 -6.761 4.818 1.00 0.00 C ATOM 1524 CG GLU A 93 87.206 -7.276 5.058 1.00 0.00 C ATOM 1525 CD GLU A 93 86.201 -6.301 4.445 1.00 0.00 C ATOM 1526 OE1 GLU A 93 86.062 -5.212 4.979 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.590 -6.658 3.452 1.00 0.00 O ATOM 0 H GLU A 93 88.611 -8.802 3.397 1.00 0.00 H new ATOM 0 HA GLU A 93 90.641 -7.515 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.846 -5.935 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.719 -6.374 3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 93 87.086 -8.265 4.615 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.021 -7.381 6.127 1.00 0.00 H new ATOM 1534 N VAL A 94 90.272 -8.264 7.331 1.00 0.00 N ATOM 1535 CA VAL A 94 90.111 -8.812 8.704 1.00 0.00 C ATOM 1536 C VAL A 94 90.568 -7.759 9.716 1.00 0.00 C ATOM 1537 O VAL A 94 91.746 -7.592 9.971 1.00 0.00 O ATOM 1538 CB VAL A 94 90.955 -10.079 8.858 1.00 0.00 C ATOM 1539 CG1 VAL A 94 90.930 -10.534 10.319 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.377 -11.184 7.972 1.00 0.00 C ATOM 0 H VAL A 94 91.109 -7.699 7.187 1.00 0.00 H new ATOM 0 HA VAL A 94 89.065 -9.062 8.880 1.00 0.00 H new ATOM 0 HB VAL A 94 91.982 -9.871 8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 94 91.531 -11.437 10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.338 -9.746 10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 94 89.903 -10.743 10.617 1.00 0.00 H new ATOM 0 HG21 VAL A 94 90.977 -12.088 8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.350 -11.392 8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.392 -10.861 6.931 1.00 0.00 H new ATOM 1550 N LYS A 95 89.640 -7.038 10.284 1.00 0.00 N ATOM 1551 CA LYS A 95 90.004 -5.987 11.276 1.00 0.00 C ATOM 1552 C LYS A 95 90.003 -6.584 12.678 1.00 0.00 C ATOM 1553 O LYS A 95 89.794 -5.899 13.660 1.00 0.00 O ATOM 1554 CB LYS A 95 88.974 -4.865 11.215 1.00 0.00 C ATOM 1555 CG LYS A 95 87.605 -5.442 11.576 1.00 0.00 C ATOM 1556 CD LYS A 95 86.699 -4.330 12.108 1.00 0.00 C ATOM 1557 CE LYS A 95 86.289 -4.651 13.547 1.00 0.00 C ATOM 1558 NZ LYS A 95 84.803 -4.624 13.660 1.00 0.00 N ATOM 0 H LYS A 95 88.641 -7.132 10.103 1.00 0.00 H new ATOM 0 HA LYS A 95 90.996 -5.598 11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.243 -4.066 11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 95 88.949 -4.428 10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.152 -5.904 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 95 87.716 -6.224 12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 95 87.220 -3.373 12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 95 85.814 -4.235 11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 95 86.668 -5.632 13.834 1.00 0.00 H new ATOM 0 HE3 LYS A 95 86.729 -3.926 14.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 84.525 -4.842 14.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 84.452 -3.679 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 84.393 -5.332 13.018 1.00 0.00 H new ATOM 1727 N PHE A 106 94.319 -2.854 12.555 1.00 0.00 N ATOM 1728 CA PHE A 106 94.306 -2.531 11.097 1.00 0.00 C ATOM 1729 C PHE A 106 93.350 -3.474 10.368 1.00 0.00 C ATOM 1730 O PHE A 106 92.900 -4.468 10.901 1.00 0.00 O ATOM 1731 CB PHE A 106 95.686 -2.709 10.459 1.00 0.00 C ATOM 1732 CG PHE A 106 96.757 -2.930 11.488 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.151 -1.888 12.329 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.382 -4.176 11.571 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.175 -2.092 13.257 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.401 -4.387 12.500 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.801 -3.343 13.345 1.00 0.00 C ATOM 0 HA PHE A 106 93.994 -1.490 11.007 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.662 -3.556 9.773 1.00 0.00 H new ATOM 0 HB3 PHE A 106 95.928 -1.826 9.867 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.665 -0.926 12.262 1.00 0.00 H new ATOM 0 HD2 PHE A 106 97.076 -4.977 10.915 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.484 -1.286 13.906 1.00 0.00 H new ATOM 0 HE2 PHE A 106 98.880 -5.352 12.568 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.591 -3.502 14.064 1.00 0.00 H new ATOM 1747 N ARG A 107 93.091 -3.183 9.127 1.00 0.00 N ATOM 1748 CA ARG A 107 92.226 -4.059 8.298 1.00 0.00 C ATOM 1749 C ARG A 107 93.169 -4.969 7.512 1.00 0.00 C ATOM 1750 O ARG A 107 93.674 -4.606 6.462 1.00 0.00 O ATOM 1751 CB ARG A 107 91.389 -3.202 7.340 1.00 0.00 C ATOM 1752 CG ARG A 107 89.904 -3.521 7.508 1.00 0.00 C ATOM 1753 CD ARG A 107 89.349 -2.742 8.703 1.00 0.00 C ATOM 1754 NE ARG A 107 89.234 -1.298 8.350 1.00 0.00 N ATOM 1755 CZ ARG A 107 88.809 -0.437 9.237 1.00 0.00 C ATOM 1756 NH1 ARG A 107 88.483 -0.837 10.438 1.00 0.00 N ATOM 1757 NH2 ARG A 107 88.711 0.827 8.925 1.00 0.00 N ATOM 0 H ARG A 107 93.450 -2.359 8.644 1.00 0.00 H new ATOM 0 HA ARG A 107 91.537 -4.642 8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.566 -2.145 7.537 1.00 0.00 H new ATOM 0 HB3 ARG A 107 91.695 -3.390 6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.359 -3.256 6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.766 -4.591 7.661 1.00 0.00 H new ATOM 0 HD2 ARG A 107 88.373 -3.136 8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 107 90.004 -2.865 9.566 1.00 0.00 H new ATOM 0 HE ARG A 107 89.488 -0.981 7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.560 -1.824 10.685 1.00 0.00 H new ATOM 0 HH12 ARG A 107 88.152 -0.163 11.128 1.00 0.00 H new ATOM 0 HH21 ARG A 107 88.966 1.143 7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 107 88.379 1.499 9.617 1.00 0.00 H new ATOM 1771 N VAL A 108 93.458 -6.126 8.039 1.00 0.00 N ATOM 1772 CA VAL A 108 94.408 -7.036 7.349 1.00 0.00 C ATOM 1773 C VAL A 108 93.728 -7.684 6.148 1.00 0.00 C ATOM 1774 O VAL A 108 92.770 -8.418 6.279 1.00 0.00 O ATOM 1775 CB VAL A 108 94.891 -8.100 8.332 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.200 -8.703 7.830 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.139 -7.445 9.688 1.00 0.00 C ATOM 0 H VAL A 108 93.077 -6.479 8.917 1.00 0.00 H new ATOM 0 HA VAL A 108 95.267 -6.468 6.991 1.00 0.00 H new ATOM 0 HB VAL A 108 94.137 -8.882 8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.544 -9.462 8.532 1.00 0.00 H new ATOM 0 HG12 VAL A 108 96.040 -9.159 6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.953 -7.919 7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.484 -8.197 10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.897 -6.669 9.584 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.213 -7.001 10.052 1.00 0.00 H new ATOM 1787 N TYR A 109 94.216 -7.408 4.970 1.00 0.00 N ATOM 1788 CA TYR A 109 93.594 -7.994 3.755 1.00 0.00 C ATOM 1789 C TYR A 109 94.422 -9.178 3.264 1.00 0.00 C ATOM 1790 O TYR A 109 95.607 -9.065 3.029 1.00 0.00 O ATOM 1791 CB TYR A 109 93.537 -6.934 2.652 1.00 0.00 C ATOM 1792 CG TYR A 109 92.310 -6.078 2.834 1.00 0.00 C ATOM 1793 CD1 TYR A 109 91.861 -5.765 4.120 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.621 -5.600 1.715 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.720 -4.973 4.289 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.480 -4.807 1.883 1.00 0.00 C ATOM 1797 CZ TYR A 109 90.029 -4.494 3.170 1.00 0.00 C ATOM 1798 OH TYR A 109 88.904 -3.716 3.338 1.00 0.00 O ATOM 0 H TYR A 109 95.018 -6.802 4.799 1.00 0.00 H new ATOM 0 HA TYR A 109 92.587 -8.333 3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.433 -6.314 2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.516 -7.414 1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.395 -6.134 4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 109 91.969 -5.843 0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.373 -4.731 5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 109 89.948 -4.437 1.019 1.00 0.00 H new ATOM 0 HH TYR A 109 88.979 -3.208 4.173 1.00 0.00 H new ATOM 1808 N ARG A 110 93.802 -10.309 3.087 1.00 0.00 N ATOM 1809 CA ARG A 110 94.549 -11.491 2.588 1.00 0.00 C ATOM 1810 C ARG A 110 94.259 -11.653 1.098 1.00 0.00 C ATOM 1811 O ARG A 110 93.128 -11.834 0.692 1.00 0.00 O ATOM 1812 CB ARG A 110 94.107 -12.745 3.346 1.00 0.00 C ATOM 1813 CG ARG A 110 95.016 -12.945 4.560 1.00 0.00 C ATOM 1814 CD ARG A 110 94.646 -14.246 5.272 1.00 0.00 C ATOM 1815 NE ARG A 110 94.704 -14.035 6.747 1.00 0.00 N ATOM 1816 CZ ARG A 110 94.844 -15.053 7.555 1.00 0.00 C ATOM 1817 NH1 ARG A 110 94.931 -16.265 7.079 1.00 0.00 N ATOM 1818 NH2 ARG A 110 94.894 -14.859 8.845 1.00 0.00 N ATOM 0 H ARG A 110 92.810 -10.465 3.267 1.00 0.00 H new ATOM 0 HA ARG A 110 95.618 -11.350 2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 110 93.070 -12.645 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 110 94.156 -13.616 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 110 96.059 -12.976 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 110 94.915 -12.103 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 110 93.646 -14.563 4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 110 95.331 -15.041 4.980 1.00 0.00 H new ATOM 0 HE ARG A 110 94.634 -13.091 7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 110 94.890 -16.422 6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 110 95.040 -17.056 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 110 94.824 -13.914 9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 110 95.003 -15.653 9.476 1.00 0.00 H new ATOM 1832 N MET A 111 95.273 -11.573 0.281 1.00 0.00 N ATOM 1833 CA MET A 111 95.065 -11.708 -1.188 1.00 0.00 C ATOM 1834 C MET A 111 95.210 -13.176 -1.595 1.00 0.00 C ATOM 1835 O MET A 111 96.227 -13.586 -2.120 1.00 0.00 O ATOM 1836 CB MET A 111 96.110 -10.870 -1.929 1.00 0.00 C ATOM 1837 CG MET A 111 95.601 -9.437 -2.091 1.00 0.00 C ATOM 1838 SD MET A 111 95.716 -8.952 -3.831 1.00 0.00 S ATOM 1839 CE MET A 111 96.332 -7.272 -3.562 1.00 0.00 C ATOM 0 H MET A 111 96.239 -11.419 0.569 1.00 0.00 H new ATOM 0 HA MET A 111 94.065 -11.358 -1.445 1.00 0.00 H new ATOM 0 HB2 MET A 111 97.050 -10.872 -1.377 1.00 0.00 H new ATOM 0 HB3 MET A 111 96.314 -11.307 -2.907 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.568 -9.365 -1.749 1.00 0.00 H new ATOM 0 HG3 MET A 111 96.189 -8.758 -1.473 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.477 -6.779 -4.523 1.00 0.00 H new ATOM 0 HE2 MET A 111 95.609 -6.710 -2.971 1.00 0.00 H new ATOM 0 HE3 MET A 111 97.282 -7.314 -3.029 1.00 0.00 H new ATOM 1849 N LEU A 112 94.202 -13.973 -1.358 1.00 0.00 N ATOM 1850 CA LEU A 112 94.286 -15.413 -1.735 1.00 0.00 C ATOM 1851 C LEU A 112 94.592 -15.527 -3.233 1.00 0.00 C ATOM 1852 O LEU A 112 93.979 -14.855 -4.036 1.00 0.00 O ATOM 1853 CB LEU A 112 92.948 -16.094 -1.438 1.00 0.00 C ATOM 1854 CG LEU A 112 91.846 -15.433 -2.268 1.00 0.00 C ATOM 1855 CD1 LEU A 112 91.580 -16.268 -3.523 1.00 0.00 C ATOM 1856 CD2 LEU A 112 90.566 -15.342 -1.437 1.00 0.00 C ATOM 0 H LEU A 112 93.326 -13.689 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 112 95.077 -15.896 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 112 93.008 -17.157 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.715 -16.016 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 112 92.163 -14.431 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.795 -15.797 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 112 92.492 -16.333 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 112 91.264 -17.270 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 112 89.781 -14.871 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.249 -16.343 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 112 90.754 -14.747 -0.544 1.00 0.00 H new ATOM 1868 N PRO A 113 95.531 -16.376 -3.569 1.00 0.00 N ATOM 1869 CA PRO A 113 95.932 -16.594 -4.968 1.00 0.00 C ATOM 1870 C PRO A 113 94.915 -17.487 -5.684 1.00 0.00 C ATOM 1871 O PRO A 113 94.008 -17.966 -5.025 1.00 0.00 O ATOM 1872 CB PRO A 113 97.287 -17.289 -4.853 1.00 0.00 C ATOM 1873 CG PRO A 113 97.329 -17.925 -3.449 1.00 0.00 C ATOM 1874 CD PRO A 113 96.277 -17.195 -2.596 1.00 0.00 C ATOM 1875 OXT PRO A 113 95.062 -17.675 -6.881 1.00 0.00 O ATOM 0 HA PRO A 113 95.983 -15.672 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.402 -18.048 -5.627 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.102 -16.576 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 113 97.111 -18.992 -3.502 1.00 0.00 H new ATOM 0 HG3 PRO A 113 98.321 -17.824 -3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 113 95.622 -17.899 -2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.744 -16.577 -1.830 1.00 0.00 H new