USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=15 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= -12.7! C(o=-14!,f=-16!) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -1.73 X(o=-14,f=-14) USER MOD Single : A 8 MET CE :methyl 179:sc= -11.1! (180deg=-11.4!) USER MOD Single : A 15 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.15) USER MOD Single : A 17 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.19) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.0288 X(o=0.029,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 140:sc= 0.91 (180deg=-0.0322) USER MOD Single : A 28 ASN : amide:sc= -0.511 K(o=-0.51,f=-3.9!) USER MOD Single : A 29 LYS NZ :NH3+ -120:sc= -0.592 (180deg=-2.57!) 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 35 GLN : amide:sc= -5.56! C(o=-5.6!,f=-7.7!) USER MOD Single : A 62 THR OG1 : rot -41:sc= 0.201 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.55! C(o=-1.6!,f=-2.2!) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.862 F(o=-2.2!,f=-0.86) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -142:sc= -0.437 (180deg=-1.73!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 78 LYS NZ :NH3+ 148:sc= -0.0425 (180deg=-0.275) USER MOD Single : A 80 ASN : amide:sc= 0.0882 X(o=0.088,f=0) USER MOD Single : A 83 CYS SG : rot 83:sc= 0.533 USER MOD Single : A 85 MET CE :methyl 155:sc= -9.78! (180deg=-10.3!) USER MOD Single : A 86 ASN : amide:sc= -1.05 K(o=-1,f=-3.1!) USER MOD Single : A 87 SER OG : rot 53:sc= 0.335 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 130:sc= -0.373 USER MOD Single : A 111 MET CE :methyl -127:sc= -0.101 (180deg=-1.34!) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 96.892 -1.109 -12.704 1.00 0.00 N ATOM 90 CA ARG A 7 95.722 -1.841 -12.142 1.00 0.00 C ATOM 91 C ARG A 7 95.801 -1.799 -10.613 1.00 0.00 C ATOM 92 O ARG A 7 96.845 -1.548 -10.045 1.00 0.00 O ATOM 93 CB ARG A 7 95.739 -3.293 -12.623 1.00 0.00 C ATOM 94 CG ARG A 7 94.402 -3.630 -13.288 1.00 0.00 C ATOM 95 CD ARG A 7 94.629 -3.932 -14.770 1.00 0.00 C ATOM 96 NE ARG A 7 93.935 -5.201 -15.129 1.00 0.00 N ATOM 97 CZ ARG A 7 93.744 -5.514 -16.383 1.00 0.00 C ATOM 98 NH1 ARG A 7 94.161 -4.717 -17.329 1.00 0.00 N ATOM 99 NH2 ARG A 7 93.136 -6.627 -16.689 1.00 0.00 N ATOM 0 HA ARG A 7 94.797 -1.371 -12.477 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.556 -3.443 -13.329 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.917 -3.963 -11.782 1.00 0.00 H new ATOM 0 HG2 ARG A 7 93.946 -4.490 -12.797 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.709 -2.796 -13.178 1.00 0.00 H new ATOM 0 HD2 ARG A 7 94.251 -3.113 -15.381 1.00 0.00 H new ATOM 0 HD3 ARG A 7 95.696 -4.017 -14.976 1.00 0.00 H new ATOM 0 HE ARG A 7 93.608 -5.827 -14.393 1.00 0.00 H new ATOM 0 HH11 ARG A 7 94.637 -3.847 -17.090 1.00 0.00 H new ATOM 0 HH12 ARG A 7 94.011 -4.964 -18.307 1.00 0.00 H new ATOM 0 HH21 ARG A 7 92.811 -7.250 -15.950 1.00 0.00 H new ATOM 0 HH22 ARG A 7 92.986 -6.874 -17.667 1.00 0.00 H new ATOM 113 N MET A 8 94.707 -2.028 -9.943 1.00 0.00 N ATOM 114 CA MET A 8 94.722 -1.984 -8.452 1.00 0.00 C ATOM 115 C MET A 8 95.620 -3.097 -7.883 1.00 0.00 C ATOM 116 O MET A 8 96.370 -2.885 -6.953 1.00 0.00 O ATOM 117 CB MET A 8 93.291 -2.165 -7.931 1.00 0.00 C ATOM 118 CG MET A 8 93.316 -2.563 -6.451 1.00 0.00 C ATOM 119 SD MET A 8 94.053 -1.230 -5.473 1.00 0.00 S ATOM 120 CE MET A 8 93.558 -1.849 -3.845 1.00 0.00 C ATOM 0 H MET A 8 93.802 -2.244 -10.362 1.00 0.00 H new ATOM 0 HA MET A 8 95.120 -1.021 -8.131 1.00 0.00 H new ATOM 0 HB2 MET A 8 92.730 -1.239 -8.057 1.00 0.00 H new ATOM 0 HB3 MET A 8 92.778 -2.931 -8.513 1.00 0.00 H new ATOM 0 HG2 MET A 8 92.304 -2.766 -6.102 1.00 0.00 H new ATOM 0 HG3 MET A 8 93.888 -3.482 -6.321 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.930 -1.177 -3.072 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.471 -1.899 -3.790 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.975 -2.844 -3.692 1.00 0.00 H new ATOM 130 N ARG A 9 95.525 -4.285 -8.416 1.00 0.00 N ATOM 131 CA ARG A 9 96.344 -5.421 -7.890 1.00 0.00 C ATOM 132 C ARG A 9 97.846 -5.089 -7.899 1.00 0.00 C ATOM 133 O ARG A 9 98.501 -5.190 -6.880 1.00 0.00 O ATOM 134 CB ARG A 9 96.095 -6.661 -8.750 1.00 0.00 C ATOM 135 CG ARG A 9 95.101 -7.582 -8.039 1.00 0.00 C ATOM 136 CD ARG A 9 95.498 -9.041 -8.273 1.00 0.00 C ATOM 137 NE ARG A 9 95.727 -9.712 -6.961 1.00 0.00 N ATOM 138 CZ ARG A 9 95.924 -11.003 -6.910 1.00 0.00 C ATOM 139 NH1 ARG A 9 95.919 -11.712 -8.008 1.00 0.00 N ATOM 140 NH2 ARG A 9 96.130 -11.586 -5.761 1.00 0.00 N ATOM 0 H ARG A 9 94.913 -4.521 -9.197 1.00 0.00 H new ATOM 0 HA ARG A 9 96.045 -5.606 -6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.704 -6.369 -9.724 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.032 -7.188 -8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 9 95.088 -7.365 -6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.093 -7.404 -8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 9 94.714 -9.558 -8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 9 96.401 -9.090 -8.881 1.00 0.00 H new ATOM 0 HE ARG A 9 95.730 -9.162 -6.102 1.00 0.00 H new ATOM 0 HH11 ARG A 9 95.761 -11.258 -8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 9 96.073 -12.719 -7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 9 96.137 -11.034 -4.903 1.00 0.00 H new ATOM 0 HH22 ARG A 9 96.284 -12.594 -5.721 1.00 0.00 H new ATOM 154 N PRO A 10 98.352 -4.726 -9.048 1.00 0.00 N ATOM 155 CA PRO A 10 99.783 -4.407 -9.216 1.00 0.00 C ATOM 156 C PRO A 10 100.157 -3.073 -8.559 1.00 0.00 C ATOM 157 O PRO A 10 101.272 -2.893 -8.110 1.00 0.00 O ATOM 158 CB PRO A 10 99.968 -4.358 -10.731 1.00 0.00 C ATOM 159 CG PRO A 10 98.569 -4.109 -11.329 1.00 0.00 C ATOM 160 CD PRO A 10 97.553 -4.590 -10.277 1.00 0.00 C ATOM 0 HA PRO A 10 100.430 -5.141 -8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 10 100.659 -3.563 -11.013 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.389 -5.293 -11.102 1.00 0.00 H new ATOM 0 HG2 PRO A 10 98.425 -3.052 -11.553 1.00 0.00 H new ATOM 0 HG3 PRO A 10 98.445 -4.653 -12.266 1.00 0.00 H new ATOM 0 HD2 PRO A 10 96.742 -3.874 -10.149 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.099 -5.538 -10.565 1.00 0.00 H new ATOM 168 N TRP A 11 99.251 -2.137 -8.488 1.00 0.00 N ATOM 169 CA TRP A 11 99.596 -0.836 -7.848 1.00 0.00 C ATOM 170 C TRP A 11 99.704 -1.038 -6.335 1.00 0.00 C ATOM 171 O TRP A 11 100.521 -0.428 -5.669 1.00 0.00 O ATOM 172 CB TRP A 11 98.510 0.193 -8.161 1.00 0.00 C ATOM 173 CG TRP A 11 98.802 1.468 -7.436 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.427 2.544 -7.969 1.00 0.00 C ATOM 175 CD2 TRP A 11 98.490 1.818 -6.058 1.00 0.00 C ATOM 176 NE1 TRP A 11 99.513 3.532 -7.006 1.00 0.00 N ATOM 177 CE2 TRP A 11 98.952 3.133 -5.812 1.00 0.00 C ATOM 178 CE3 TRP A 11 97.858 1.130 -5.009 1.00 0.00 C ATOM 179 CZ2 TRP A 11 98.790 3.745 -4.570 1.00 0.00 C ATOM 180 CZ3 TRP A 11 97.693 1.741 -3.757 1.00 0.00 C ATOM 181 CH2 TRP A 11 98.157 3.044 -3.540 1.00 0.00 C ATOM 0 H TRP A 11 98.297 -2.214 -8.841 1.00 0.00 H new ATOM 0 HA TRP A 11 100.548 -0.474 -8.235 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.467 0.375 -9.235 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.534 -0.191 -7.863 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.798 2.618 -8.981 1.00 0.00 H new ATOM 0 HE1 TRP A 11 99.940 4.445 -7.160 1.00 0.00 H new ATOM 0 HE3 TRP A 11 97.497 0.125 -5.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 99.150 4.750 -4.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 97.206 1.204 -2.957 1.00 0.00 H new ATOM 0 HH2 TRP A 11 98.025 3.509 -2.574 1.00 0.00 H new ATOM 192 N LEU A 12 98.899 -1.910 -5.790 1.00 0.00 N ATOM 193 CA LEU A 12 98.961 -2.171 -4.329 1.00 0.00 C ATOM 194 C LEU A 12 100.110 -3.139 -4.069 1.00 0.00 C ATOM 195 O LEU A 12 100.755 -3.095 -3.043 1.00 0.00 O ATOM 196 CB LEU A 12 97.643 -2.791 -3.861 1.00 0.00 C ATOM 197 CG LEU A 12 97.436 -2.496 -2.374 1.00 0.00 C ATOM 198 CD1 LEU A 12 97.248 -0.994 -2.171 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.190 -3.231 -1.877 1.00 0.00 C ATOM 0 H LEU A 12 98.200 -2.453 -6.298 1.00 0.00 H new ATOM 0 HA LEU A 12 99.122 -1.241 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 12 96.813 -2.387 -4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 12 97.656 -3.868 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 12 98.309 -2.833 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 12 97.101 -0.786 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 12 98.133 -0.465 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.376 -0.657 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 12 96.042 -3.021 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.320 -2.893 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.319 -4.304 -2.020 1.00 0.00 H new ATOM 211 N GLU A 13 100.381 -4.004 -5.008 1.00 0.00 N ATOM 212 CA GLU A 13 101.504 -4.959 -4.830 1.00 0.00 C ATOM 213 C GLU A 13 102.813 -4.176 -4.898 1.00 0.00 C ATOM 214 O GLU A 13 103.786 -4.509 -4.250 1.00 0.00 O ATOM 215 CB GLU A 13 101.470 -6.008 -5.943 1.00 0.00 C ATOM 216 CG GLU A 13 102.516 -7.088 -5.661 1.00 0.00 C ATOM 217 CD GLU A 13 102.959 -7.727 -6.979 1.00 0.00 C ATOM 218 OE1 GLU A 13 103.511 -7.015 -7.803 1.00 0.00 O ATOM 219 OE2 GLU A 13 102.739 -8.916 -7.142 1.00 0.00 O ATOM 0 H GLU A 13 99.873 -4.088 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 13 101.419 -5.466 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.478 -6.455 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.668 -5.538 -6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.374 -6.653 -5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.101 -7.847 -4.998 1.00 0.00 H new ATOM 226 N GLU A 14 102.838 -3.124 -5.675 1.00 0.00 N ATOM 227 CA GLU A 14 104.076 -2.305 -5.783 1.00 0.00 C ATOM 228 C GLU A 14 104.207 -1.422 -4.539 1.00 0.00 C ATOM 229 O GLU A 14 105.230 -1.405 -3.885 1.00 0.00 O ATOM 230 CB GLU A 14 104.002 -1.424 -7.032 1.00 0.00 C ATOM 231 CG GLU A 14 105.011 -1.923 -8.068 1.00 0.00 C ATOM 232 CD GLU A 14 106.297 -1.101 -7.965 1.00 0.00 C ATOM 233 OE1 GLU A 14 106.204 0.067 -7.623 1.00 0.00 O ATOM 234 OE2 GLU A 14 107.353 -1.653 -8.229 1.00 0.00 O ATOM 0 H GLU A 14 102.053 -2.799 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 14 104.943 -2.962 -5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 14 102.995 -1.448 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.214 -0.387 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 14 105.227 -2.978 -7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 14 104.591 -1.838 -9.070 1.00 0.00 H new ATOM 241 N GLN A 15 103.177 -0.691 -4.201 1.00 0.00 N ATOM 242 CA GLN A 15 103.251 0.183 -2.993 1.00 0.00 C ATOM 243 C GLN A 15 103.622 -0.666 -1.777 1.00 0.00 C ATOM 244 O GLN A 15 104.412 -0.268 -0.942 1.00 0.00 O ATOM 245 CB GLN A 15 101.891 0.841 -2.760 1.00 0.00 C ATOM 246 CG GLN A 15 101.548 1.728 -3.956 1.00 0.00 C ATOM 247 CD GLN A 15 102.408 2.993 -3.919 1.00 0.00 C ATOM 248 OE1 GLN A 15 102.121 3.917 -3.183 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.461 3.073 -4.687 1.00 0.00 N ATOM 0 H GLN A 15 102.292 -0.661 -4.707 1.00 0.00 H new ATOM 0 HA GLN A 15 104.007 0.954 -3.143 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.123 0.079 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.913 1.435 -1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.721 1.186 -4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.491 1.994 -3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 15 103.702 2.298 -5.305 1.00 0.00 H new ATOM 0 HE22 GLN A 15 104.043 3.911 -4.669 1.00 0.00 H new ATOM 258 N ILE A 16 103.056 -1.834 -1.672 1.00 0.00 N ATOM 259 CA ILE A 16 103.366 -2.718 -0.513 1.00 0.00 C ATOM 260 C ILE A 16 104.792 -3.262 -0.639 1.00 0.00 C ATOM 261 O ILE A 16 105.525 -3.338 0.327 1.00 0.00 O ATOM 262 CB ILE A 16 102.381 -3.887 -0.492 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.963 -3.357 -0.280 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.737 -4.838 0.650 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.960 -4.488 -0.506 1.00 0.00 C ATOM 0 H ILE A 16 102.389 -2.217 -2.341 1.00 0.00 H new ATOM 0 HA ILE A 16 103.280 -2.144 0.410 1.00 0.00 H new ATOM 0 HB ILE A 16 102.436 -4.419 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.858 -2.960 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.763 -2.536 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 16 102.033 -5.670 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.748 -5.219 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.684 -4.303 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.948 -4.112 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.059 -4.865 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.156 -5.295 0.200 1.00 0.00 H new ATOM 277 N ASN A 17 105.187 -3.651 -1.821 1.00 0.00 N ATOM 278 CA ASN A 17 106.562 -4.200 -2.006 1.00 0.00 C ATOM 279 C ASN A 17 107.601 -3.131 -1.667 1.00 0.00 C ATOM 280 O ASN A 17 108.699 -3.433 -1.242 1.00 0.00 O ATOM 281 CB ASN A 17 106.742 -4.640 -3.459 1.00 0.00 C ATOM 282 CG ASN A 17 106.879 -6.163 -3.513 1.00 0.00 C ATOM 283 OD1 ASN A 17 107.728 -6.732 -2.855 1.00 0.00 O ATOM 284 ND2 ASN A 17 106.072 -6.852 -4.272 1.00 0.00 N ATOM 0 H ASN A 17 104.618 -3.613 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 17 106.698 -5.054 -1.343 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.889 -4.319 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.627 -4.168 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.154 -7.868 -4.313 1.00 0.00 H new ATOM 0 HD22 ASN A 17 105.359 -6.375 -4.824 1.00 0.00 H new ATOM 291 N SER A 18 107.270 -1.884 -1.852 1.00 0.00 N ATOM 292 CA SER A 18 108.248 -0.806 -1.542 1.00 0.00 C ATOM 293 C SER A 18 108.093 -0.382 -0.080 1.00 0.00 C ATOM 294 O SER A 18 109.030 0.071 0.547 1.00 0.00 O ATOM 295 CB SER A 18 107.990 0.395 -2.453 1.00 0.00 C ATOM 296 OG SER A 18 109.204 1.109 -2.644 1.00 0.00 O ATOM 0 H SER A 18 106.367 -1.566 -2.204 1.00 0.00 H new ATOM 0 HA SER A 18 109.260 -1.175 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 18 107.597 0.060 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 18 107.237 1.047 -2.010 1.00 0.00 H new ATOM 0 HG SER A 18 109.042 1.879 -3.229 1.00 0.00 H new ATOM 302 N ASN A 19 106.917 -0.526 0.467 1.00 0.00 N ATOM 303 CA ASN A 19 106.702 -0.130 1.887 1.00 0.00 C ATOM 304 C ASN A 19 106.598 1.393 1.975 1.00 0.00 C ATOM 305 O ASN A 19 107.457 2.055 2.522 1.00 0.00 O ATOM 306 CB ASN A 19 107.880 -0.615 2.737 1.00 0.00 C ATOM 307 CG ASN A 19 107.424 -0.804 4.185 1.00 0.00 C ATOM 308 OD1 ASN A 19 107.102 -1.902 4.594 1.00 0.00 O ATOM 309 ND2 ASN A 19 107.381 0.228 4.981 1.00 0.00 N ATOM 0 H ASN A 19 106.096 -0.901 -0.008 1.00 0.00 H new ATOM 0 HA ASN A 19 105.781 -0.580 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.265 -1.555 2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.695 0.107 2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 19 107.077 0.114 5.948 1.00 0.00 H new ATOM 0 HD22 ASN A 19 107.652 1.149 4.637 1.00 0.00 H new ATOM 316 N THR A 20 105.550 1.955 1.434 1.00 0.00 N ATOM 317 CA THR A 20 105.390 3.435 1.481 1.00 0.00 C ATOM 318 C THR A 20 104.851 3.851 2.852 1.00 0.00 C ATOM 319 O THR A 20 105.163 4.912 3.353 1.00 0.00 O ATOM 320 CB THR A 20 104.412 3.876 0.390 1.00 0.00 C ATOM 321 OG1 THR A 20 104.150 5.266 0.525 1.00 0.00 O ATOM 322 CG2 THR A 20 103.107 3.091 0.523 1.00 0.00 C ATOM 0 H THR A 20 104.799 1.452 0.962 1.00 0.00 H new ATOM 0 HA THR A 20 106.357 3.910 1.316 1.00 0.00 H new ATOM 0 HB THR A 20 104.849 3.683 -0.590 1.00 0.00 H new ATOM 0 HG1 THR A 20 103.525 5.550 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 20 102.412 3.407 -0.255 1.00 0.00 H new ATOM 0 HG22 THR A 20 103.311 2.026 0.417 1.00 0.00 H new ATOM 0 HG23 THR A 20 102.667 3.280 1.502 1.00 0.00 H new ATOM 330 N ILE A 21 104.046 3.024 3.465 1.00 0.00 N ATOM 331 CA ILE A 21 103.494 3.378 4.805 1.00 0.00 C ATOM 332 C ILE A 21 103.928 2.318 5.828 1.00 0.00 C ATOM 333 O ILE A 21 103.952 1.141 5.524 1.00 0.00 O ATOM 334 CB ILE A 21 101.964 3.431 4.742 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.512 3.812 3.327 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.452 4.475 5.735 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.826 5.288 3.066 1.00 0.00 C ATOM 0 H ILE A 21 103.748 2.121 3.097 1.00 0.00 H new ATOM 0 HA ILE A 21 103.873 4.355 5.104 1.00 0.00 H new ATOM 0 HB ILE A 21 101.561 2.451 4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.019 3.187 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.443 3.632 3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.364 4.515 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.766 4.203 6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 21 101.861 5.452 5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.504 5.556 2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.299 5.906 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 21 102.899 5.454 3.160 1.00 0.00 H new ATOM 349 N PRO A 22 104.261 2.771 7.014 1.00 0.00 N ATOM 350 CA PRO A 22 104.710 1.885 8.106 1.00 0.00 C ATOM 351 C PRO A 22 103.530 1.107 8.692 1.00 0.00 C ATOM 352 O PRO A 22 103.681 0.336 9.618 1.00 0.00 O ATOM 353 CB PRO A 22 105.307 2.850 9.134 1.00 0.00 C ATOM 354 CG PRO A 22 104.684 4.235 8.845 1.00 0.00 C ATOM 355 CD PRO A 22 104.205 4.201 7.382 1.00 0.00 C ATOM 0 HA PRO A 22 105.426 1.131 7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 22 105.079 2.526 10.149 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.393 2.887 9.047 1.00 0.00 H new ATOM 0 HG2 PRO A 22 103.853 4.435 9.521 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.416 5.029 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.194 4.598 7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 22 104.847 4.803 6.739 1.00 0.00 H new ATOM 363 N GLY A 23 102.358 1.296 8.154 1.00 0.00 N ATOM 364 CA GLY A 23 101.175 0.559 8.675 1.00 0.00 C ATOM 365 C GLY A 23 100.596 -0.318 7.561 1.00 0.00 C ATOM 366 O GLY A 23 99.703 -1.110 7.784 1.00 0.00 O ATOM 0 H GLY A 23 102.169 1.929 7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.462 -0.057 9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.421 1.262 9.030 1.00 0.00 H new ATOM 370 N LEU A 24 101.102 -0.188 6.360 1.00 0.00 N ATOM 371 CA LEU A 24 100.585 -1.017 5.241 1.00 0.00 C ATOM 372 C LEU A 24 101.730 -1.900 4.725 1.00 0.00 C ATOM 373 O LEU A 24 102.821 -1.425 4.486 1.00 0.00 O ATOM 374 CB LEU A 24 100.067 -0.074 4.131 1.00 0.00 C ATOM 375 CG LEU A 24 100.489 -0.581 2.750 1.00 0.00 C ATOM 376 CD1 LEU A 24 99.786 -1.907 2.466 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.106 0.439 1.672 1.00 0.00 C ATOM 0 H LEU A 24 101.851 0.458 6.111 1.00 0.00 H new ATOM 0 HA LEU A 24 99.765 -1.658 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.980 -0.006 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.457 0.931 4.290 1.00 0.00 H new ATOM 0 HG LEU A 24 101.570 -0.722 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.083 -2.273 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.066 -2.637 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.706 -1.758 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.411 0.067 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.027 0.591 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.607 1.386 1.873 1.00 0.00 H new ATOM 389 N LYS A 25 101.504 -3.176 4.541 1.00 0.00 N ATOM 390 CA LYS A 25 102.623 -4.033 4.029 1.00 0.00 C ATOM 391 C LYS A 25 102.168 -5.465 3.734 1.00 0.00 C ATOM 392 O LYS A 25 101.019 -5.827 3.910 1.00 0.00 O ATOM 393 CB LYS A 25 103.737 -4.101 5.063 1.00 0.00 C ATOM 394 CG LYS A 25 103.123 -4.075 6.451 1.00 0.00 C ATOM 395 CD LYS A 25 103.265 -2.671 7.010 1.00 0.00 C ATOM 396 CE LYS A 25 104.084 -2.731 8.296 1.00 0.00 C ATOM 397 NZ LYS A 25 103.304 -2.125 9.411 1.00 0.00 N ATOM 0 H LYS A 25 100.620 -3.654 4.716 1.00 0.00 H new ATOM 0 HA LYS A 25 102.971 -3.576 3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.322 -5.010 4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.420 -3.261 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 25 102.072 -4.361 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 25 103.622 -4.794 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 25 103.753 -2.023 6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.282 -2.243 7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 25 104.333 -3.765 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 25 105.026 -2.198 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 103.440 -2.687 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.632 -1.152 9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 102.294 -2.113 9.162 1.00 0.00 H new ATOM 411 N TRP A 26 103.103 -6.282 3.306 1.00 0.00 N ATOM 412 CA TRP A 26 102.804 -7.713 3.004 1.00 0.00 C ATOM 413 C TRP A 26 103.027 -8.542 4.268 1.00 0.00 C ATOM 414 O TRP A 26 104.144 -8.904 4.582 1.00 0.00 O ATOM 415 CB TRP A 26 103.777 -8.240 1.941 1.00 0.00 C ATOM 416 CG TRP A 26 103.350 -7.838 0.568 1.00 0.00 C ATOM 417 CD1 TRP A 26 104.106 -7.118 -0.286 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.109 -8.138 -0.136 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.406 -6.939 -1.465 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.169 -7.549 -1.422 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.950 -8.847 0.213 1.00 0.00 C ATOM 422 CZ2 TRP A 26 101.115 -7.664 -2.328 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.886 -8.966 -0.697 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.969 -8.375 -1.965 1.00 0.00 C ATOM 0 H TRP A 26 104.074 -6.010 3.152 1.00 0.00 H new ATOM 0 HA TRP A 26 101.776 -7.789 2.651 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.778 -7.857 2.140 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.833 -9.327 2.003 1.00 0.00 H new ATOM 0 HD1 TRP A 26 105.098 -6.742 -0.082 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.761 -6.420 -2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.875 -9.305 1.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.184 -7.206 -3.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 98.999 -9.516 -0.418 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.148 -8.469 -2.660 1.00 0.00 H new ATOM 435 N LEU A 27 101.998 -8.872 4.988 1.00 0.00 N ATOM 436 CA LEU A 27 102.213 -9.702 6.203 1.00 0.00 C ATOM 437 C LEU A 27 102.673 -11.083 5.755 1.00 0.00 C ATOM 438 O LEU A 27 103.291 -11.825 6.492 1.00 0.00 O ATOM 439 CB LEU A 27 100.912 -9.826 6.988 1.00 0.00 C ATOM 440 CG LEU A 27 100.113 -8.533 6.861 1.00 0.00 C ATOM 441 CD1 LEU A 27 99.030 -8.523 7.930 1.00 0.00 C ATOM 442 CD2 LEU A 27 101.037 -7.323 7.060 1.00 0.00 C ATOM 0 H LEU A 27 101.032 -8.609 4.795 1.00 0.00 H new ATOM 0 HA LEU A 27 102.962 -9.239 6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.327 -10.665 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 27 101.126 -10.031 8.037 1.00 0.00 H new ATOM 0 HG LEU A 27 99.664 -8.475 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.450 -7.604 7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.372 -9.380 7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.491 -8.578 8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.458 -6.404 6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.489 -7.369 8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.821 -7.336 6.303 1.00 0.00 H new ATOM 454 N ASN A 28 102.371 -11.422 4.534 1.00 0.00 N ATOM 455 CA ASN A 28 102.778 -12.740 3.988 1.00 0.00 C ATOM 456 C ASN A 28 102.795 -12.640 2.464 1.00 0.00 C ATOM 457 O ASN A 28 101.982 -13.232 1.786 1.00 0.00 O ATOM 458 CB ASN A 28 101.774 -13.809 4.427 1.00 0.00 C ATOM 459 CG ASN A 28 102.439 -14.758 5.428 1.00 0.00 C ATOM 460 OD1 ASN A 28 103.637 -14.707 5.627 1.00 0.00 O ATOM 461 ND2 ASN A 28 101.707 -15.626 6.070 1.00 0.00 N ATOM 0 H ASN A 28 101.852 -10.832 3.884 1.00 0.00 H new ATOM 0 HA ASN A 28 103.766 -13.015 4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 28 100.902 -13.339 4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 28 101.420 -14.368 3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 28 102.140 -16.262 6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 28 100.702 -15.668 5.903 1.00 0.00 H new ATOM 468 N LYS A 29 103.710 -11.881 1.919 1.00 0.00 N ATOM 469 CA LYS A 29 103.775 -11.734 0.438 1.00 0.00 C ATOM 470 C LYS A 29 103.843 -13.126 -0.197 1.00 0.00 C ATOM 471 O LYS A 29 103.406 -13.329 -1.312 1.00 0.00 O ATOM 472 CB LYS A 29 105.013 -10.895 0.062 1.00 0.00 C ATOM 473 CG LYS A 29 105.402 -11.115 -1.408 1.00 0.00 C ATOM 474 CD LYS A 29 104.614 -10.149 -2.296 1.00 0.00 C ATOM 475 CE LYS A 29 103.247 -10.751 -2.622 1.00 0.00 C ATOM 476 NZ LYS A 29 102.551 -9.887 -3.617 1.00 0.00 N ATOM 0 H LYS A 29 104.415 -11.357 2.438 1.00 0.00 H new ATOM 0 HA LYS A 29 102.887 -11.222 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.806 -9.839 0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 29 105.849 -11.165 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 29 106.472 -10.956 -1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 29 105.195 -12.145 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 29 104.490 -9.192 -1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 29 105.165 -9.953 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 29 103.367 -11.759 -3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 29 102.648 -10.835 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 101.657 -9.543 -3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 103.157 -9.077 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 102.353 -10.438 -4.476 1.00 0.00 H new ATOM 490 N GLU A 30 104.379 -14.089 0.506 1.00 0.00 N ATOM 491 CA GLU A 30 104.458 -15.464 -0.066 1.00 0.00 C ATOM 492 C GLU A 30 103.045 -15.937 -0.422 1.00 0.00 C ATOM 493 O GLU A 30 102.819 -16.515 -1.467 1.00 0.00 O ATOM 494 CB GLU A 30 105.082 -16.424 0.955 1.00 0.00 C ATOM 495 CG GLU A 30 104.679 -16.017 2.376 1.00 0.00 C ATOM 496 CD GLU A 30 104.377 -17.270 3.201 1.00 0.00 C ATOM 497 OE1 GLU A 30 103.548 -18.054 2.769 1.00 0.00 O ATOM 498 OE2 GLU A 30 104.982 -17.425 4.249 1.00 0.00 O ATOM 0 H GLU A 30 104.763 -13.984 1.445 1.00 0.00 H new ATOM 0 HA GLU A 30 105.081 -15.450 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 30 104.754 -17.444 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 30 106.168 -16.413 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 30 105.481 -15.446 2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 30 103.803 -15.369 2.345 1.00 0.00 H new ATOM 505 N LYS A 31 102.092 -15.690 0.437 1.00 0.00 N ATOM 506 CA LYS A 31 100.694 -16.117 0.148 1.00 0.00 C ATOM 507 C LYS A 31 99.888 -14.918 -0.366 1.00 0.00 C ATOM 508 O LYS A 31 98.726 -15.041 -0.701 1.00 0.00 O ATOM 509 CB LYS A 31 100.050 -16.654 1.427 1.00 0.00 C ATOM 510 CG LYS A 31 100.094 -18.183 1.416 1.00 0.00 C ATOM 511 CD LYS A 31 99.078 -18.732 2.419 1.00 0.00 C ATOM 512 CE LYS A 31 99.810 -19.239 3.661 1.00 0.00 C ATOM 513 NZ LYS A 31 99.507 -20.685 3.858 1.00 0.00 N ATOM 0 H LYS A 31 102.223 -15.210 1.328 1.00 0.00 H new ATOM 0 HA LYS A 31 100.703 -16.900 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.577 -16.271 2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.018 -16.310 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 31 99.872 -18.556 0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 31 101.095 -18.530 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 31 98.367 -17.953 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 31 98.505 -19.541 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 31 100.884 -19.093 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 31 99.501 -18.669 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 100.004 -21.032 4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 98.482 -20.811 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 99.823 -21.222 3.025 1.00 0.00 H new ATOM 527 N LYS A 32 100.499 -13.764 -0.437 1.00 0.00 N ATOM 528 CA LYS A 32 99.779 -12.556 -0.938 1.00 0.00 C ATOM 529 C LYS A 32 98.888 -11.965 0.160 1.00 0.00 C ATOM 530 O LYS A 32 97.732 -11.676 -0.068 1.00 0.00 O ATOM 531 CB LYS A 32 98.907 -12.937 -2.136 1.00 0.00 C ATOM 532 CG LYS A 32 99.037 -11.872 -3.226 1.00 0.00 C ATOM 533 CD LYS A 32 100.363 -12.054 -3.967 1.00 0.00 C ATOM 534 CE LYS A 32 100.500 -13.507 -4.424 1.00 0.00 C ATOM 535 NZ LYS A 32 101.007 -13.542 -5.824 1.00 0.00 N ATOM 0 H LYS A 32 101.470 -13.606 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 32 100.519 -11.813 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.211 -13.909 -2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 32 97.866 -13.029 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 32 98.205 -11.950 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.990 -10.877 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 32 100.405 -11.386 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 32 101.195 -11.787 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 32 101.183 -14.044 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 32 99.536 -14.011 -4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 101.100 -14.530 -6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 100.340 -13.044 -6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 101.936 -13.076 -5.869 1.00 0.00 H new ATOM 549 N ILE A 33 99.409 -11.767 1.341 1.00 0.00 N ATOM 550 CA ILE A 33 98.568 -11.172 2.426 1.00 0.00 C ATOM 551 C ILE A 33 99.084 -9.779 2.766 1.00 0.00 C ATOM 552 O ILE A 33 100.233 -9.600 3.122 1.00 0.00 O ATOM 553 CB ILE A 33 98.630 -12.029 3.685 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.067 -13.421 3.389 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.791 -11.355 4.774 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.078 -14.209 2.554 1.00 0.00 C ATOM 0 H ILE A 33 100.370 -11.988 1.602 1.00 0.00 H new ATOM 0 HA ILE A 33 97.538 -11.122 2.072 1.00 0.00 H new ATOM 0 HB ILE A 33 99.663 -12.129 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.859 -13.947 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.122 -13.337 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.824 -11.956 5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.192 -10.362 4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.759 -11.266 4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.680 -15.201 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.264 -13.684 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.012 -14.304 3.108 1.00 0.00 H new ATOM 568 N PHE A 34 98.249 -8.784 2.668 1.00 0.00 N ATOM 569 CA PHE A 34 98.714 -7.411 2.989 1.00 0.00 C ATOM 570 C PHE A 34 97.769 -6.755 3.995 1.00 0.00 C ATOM 571 O PHE A 34 96.563 -6.807 3.860 1.00 0.00 O ATOM 572 CB PHE A 34 98.757 -6.576 1.704 1.00 0.00 C ATOM 573 CG PHE A 34 97.354 -6.170 1.302 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.450 -7.128 0.819 1.00 0.00 C ATOM 575 CD2 PHE A 34 96.957 -4.833 1.416 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.155 -6.744 0.452 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.662 -4.450 1.049 1.00 0.00 C ATOM 578 CZ PHE A 34 94.761 -5.405 0.567 1.00 0.00 C ATOM 0 H PHE A 34 97.273 -8.862 2.382 1.00 0.00 H new ATOM 0 HA PHE A 34 99.711 -7.465 3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.371 -5.689 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.222 -7.150 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 34 96.753 -8.161 0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.652 -4.095 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.459 -7.481 0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.358 -3.417 1.138 1.00 0.00 H new ATOM 0 HZ PHE A 34 93.762 -5.110 0.284 1.00 0.00 H new ATOM 588 N GLN A 35 98.315 -6.117 4.992 1.00 0.00 N ATOM 589 CA GLN A 35 97.458 -5.433 6.000 1.00 0.00 C ATOM 590 C GLN A 35 97.693 -3.930 5.891 1.00 0.00 C ATOM 591 O GLN A 35 98.816 -3.471 5.800 1.00 0.00 O ATOM 592 CB GLN A 35 97.819 -5.917 7.408 1.00 0.00 C ATOM 593 CG GLN A 35 97.223 -4.977 8.463 1.00 0.00 C ATOM 594 CD GLN A 35 98.323 -4.532 9.429 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.593 -5.199 10.409 1.00 0.00 O ATOM 596 NE2 GLN A 35 98.973 -3.426 9.193 1.00 0.00 N ATOM 0 H GLN A 35 99.319 -6.040 5.153 1.00 0.00 H new ATOM 0 HA GLN A 35 96.409 -5.662 5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 35 97.444 -6.929 7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.903 -5.959 7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 35 96.775 -4.109 7.980 1.00 0.00 H new ATOM 0 HG3 GLN A 35 96.428 -5.484 9.009 1.00 0.00 H new ATOM 0 HE21 GLN A 35 98.746 -2.867 8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 35 99.708 -3.120 9.831 1.00 0.00 H new ATOM 605 N ILE A 36 96.642 -3.165 5.904 1.00 0.00 N ATOM 606 CA ILE A 36 96.787 -1.684 5.810 1.00 0.00 C ATOM 607 C ILE A 36 96.421 -1.116 7.187 1.00 0.00 C ATOM 608 O ILE A 36 95.707 -1.758 7.912 1.00 0.00 O ATOM 609 CB ILE A 36 95.815 -1.176 4.724 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.469 -1.304 3.348 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.432 0.290 4.950 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.389 -1.188 2.269 1.00 0.00 C ATOM 0 H ILE A 36 95.682 -3.501 5.976 1.00 0.00 H new ATOM 0 HA ILE A 36 97.798 -1.377 5.541 1.00 0.00 H new ATOM 0 HB ILE A 36 94.912 -1.784 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.220 -0.525 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.984 -2.261 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.747 0.612 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.947 0.394 5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.329 0.909 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.847 -1.278 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.655 -1.983 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.895 -0.220 2.352 1.00 0.00 H new ATOM 624 N PRO A 37 96.925 0.051 7.521 1.00 0.00 N ATOM 625 CA PRO A 37 96.633 0.693 8.823 1.00 0.00 C ATOM 626 C PRO A 37 95.311 1.467 8.770 1.00 0.00 C ATOM 627 O PRO A 37 94.544 1.454 9.712 1.00 0.00 O ATOM 628 CB PRO A 37 97.799 1.646 9.015 1.00 0.00 C ATOM 629 CG PRO A 37 98.359 1.944 7.599 1.00 0.00 C ATOM 630 CD PRO A 37 97.850 0.823 6.670 1.00 0.00 C ATOM 0 HA PRO A 37 96.527 -0.027 9.634 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.474 2.564 9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.565 1.200 9.650 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.022 2.919 7.248 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.449 1.969 7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.343 1.229 5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.669 0.203 6.305 1.00 0.00 H new ATOM 638 N TRP A 38 95.017 2.113 7.670 1.00 0.00 N ATOM 639 CA TRP A 38 93.718 2.846 7.563 1.00 0.00 C ATOM 640 C TRP A 38 93.702 4.056 8.496 1.00 0.00 C ATOM 641 O TRP A 38 94.732 4.533 8.931 1.00 0.00 O ATOM 642 CB TRP A 38 92.601 1.874 7.925 1.00 0.00 C ATOM 643 CG TRP A 38 92.849 0.638 7.139 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.659 -0.375 7.508 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.337 0.295 5.832 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.680 -1.317 6.496 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.872 -0.948 5.445 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.467 0.941 4.957 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.554 -1.526 4.224 1.00 0.00 C ATOM 650 CZ3 TRP A 38 91.139 0.371 3.732 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.683 -0.863 3.359 1.00 0.00 C ATOM 0 H TRP A 38 95.616 2.165 6.846 1.00 0.00 H new ATOM 0 HA TRP A 38 93.580 3.217 6.547 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.603 1.661 8.994 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.625 2.297 7.686 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.201 -0.440 8.440 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.226 -2.178 6.525 1.00 0.00 H new ATOM 0 HE3 TRP A 38 91.043 1.895 5.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.977 -2.480 3.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.461 0.883 3.065 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.430 -1.301 2.405 1.00 0.00 H new ATOM 865 N ALA A 52 97.216 8.999 3.854 1.00 0.00 N ATOM 866 CA ALA A 52 97.313 10.387 3.321 1.00 0.00 C ATOM 867 C ALA A 52 98.055 10.431 1.970 1.00 0.00 C ATOM 868 O ALA A 52 97.629 11.123 1.066 1.00 0.00 O ATOM 869 CB ALA A 52 98.057 11.261 4.332 1.00 0.00 C ATOM 0 HA ALA A 52 96.301 10.759 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 52 98.132 12.278 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 52 97.513 11.269 5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 52 99.058 10.860 4.493 1.00 0.00 H new ATOM 875 N PRO A 53 99.165 9.730 1.877 1.00 0.00 N ATOM 876 CA PRO A 53 99.996 9.726 0.655 1.00 0.00 C ATOM 877 C PRO A 53 99.418 8.842 -0.461 1.00 0.00 C ATOM 878 O PRO A 53 98.794 9.327 -1.382 1.00 0.00 O ATOM 879 CB PRO A 53 101.342 9.181 1.140 1.00 0.00 C ATOM 880 CG PRO A 53 101.057 8.391 2.436 1.00 0.00 C ATOM 881 CD PRO A 53 99.695 8.882 2.963 1.00 0.00 C ATOM 0 HA PRO A 53 100.059 10.718 0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 53 101.794 8.537 0.385 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.044 9.993 1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.032 7.319 2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 53 101.841 8.561 3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.027 8.047 3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 53 99.807 9.446 3.889 1.00 0.00 H new ATOM 889 N LEU A 54 99.667 7.561 -0.418 1.00 0.00 N ATOM 890 CA LEU A 54 99.174 6.671 -1.515 1.00 0.00 C ATOM 891 C LEU A 54 97.667 6.847 -1.761 1.00 0.00 C ATOM 892 O LEU A 54 97.171 6.542 -2.827 1.00 0.00 O ATOM 893 CB LEU A 54 99.513 5.206 -1.209 1.00 0.00 C ATOM 894 CG LEU A 54 98.704 4.653 -0.026 1.00 0.00 C ATOM 895 CD1 LEU A 54 98.861 5.553 1.199 1.00 0.00 C ATOM 896 CD2 LEU A 54 97.222 4.527 -0.391 1.00 0.00 C ATOM 0 H LEU A 54 100.187 7.092 0.323 1.00 0.00 H new ATOM 0 HA LEU A 54 99.685 6.962 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 54 99.320 4.599 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 54 100.577 5.120 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 54 99.091 3.662 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 54 98.281 5.145 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 54 99.912 5.602 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 54 98.502 6.555 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 54 96.669 4.133 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 54 96.828 5.508 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 54 97.112 3.850 -1.238 1.00 0.00 H new ATOM 908 N PHE A 55 96.930 7.347 -0.813 1.00 0.00 N ATOM 909 CA PHE A 55 95.475 7.546 -1.057 1.00 0.00 C ATOM 910 C PHE A 55 95.350 8.800 -1.923 1.00 0.00 C ATOM 911 O PHE A 55 94.576 8.854 -2.857 1.00 0.00 O ATOM 912 CB PHE A 55 94.750 7.672 0.296 1.00 0.00 C ATOM 913 CG PHE A 55 93.973 8.964 0.394 1.00 0.00 C ATOM 914 CD1 PHE A 55 94.602 10.125 0.856 1.00 0.00 C ATOM 915 CD2 PHE A 55 92.624 8.993 0.030 1.00 0.00 C ATOM 916 CE1 PHE A 55 93.880 11.317 0.955 1.00 0.00 C ATOM 917 CE2 PHE A 55 91.901 10.185 0.126 1.00 0.00 C ATOM 918 CZ PHE A 55 92.529 11.349 0.590 1.00 0.00 C ATOM 0 H PHE A 55 97.265 7.624 0.110 1.00 0.00 H new ATOM 0 HA PHE A 55 95.011 6.708 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.072 6.829 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 55 95.478 7.623 1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.645 10.100 1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 55 92.141 8.095 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 55 94.364 12.214 1.313 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.859 10.209 -0.157 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.971 12.270 0.666 1.00 0.00 H new ATOM 928 N ARG A 56 96.159 9.786 -1.649 1.00 0.00 N ATOM 929 CA ARG A 56 96.149 11.008 -2.490 1.00 0.00 C ATOM 930 C ARG A 56 96.796 10.638 -3.830 1.00 0.00 C ATOM 931 O ARG A 56 96.653 11.329 -4.819 1.00 0.00 O ATOM 932 CB ARG A 56 96.954 12.114 -1.804 1.00 0.00 C ATOM 933 CG ARG A 56 97.156 13.283 -2.771 1.00 0.00 C ATOM 934 CD ARG A 56 98.624 13.352 -3.194 1.00 0.00 C ATOM 935 NE ARG A 56 99.172 14.700 -2.870 1.00 0.00 N ATOM 936 CZ ARG A 56 100.376 15.031 -3.257 1.00 0.00 C ATOM 937 NH1 ARG A 56 101.107 14.183 -3.930 1.00 0.00 N ATOM 938 NH2 ARG A 56 100.847 16.215 -2.976 1.00 0.00 N ATOM 0 H ARG A 56 96.826 9.795 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 56 95.133 11.372 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 56 96.432 12.455 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 56 97.920 11.726 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 56 96.520 13.157 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 56 96.860 14.218 -2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 56 99.198 12.581 -2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 56 98.715 13.158 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 56 98.606 15.366 -2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 56 100.739 13.259 -4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.046 14.445 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 56 100.276 16.881 -2.455 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.786 16.475 -3.277 1.00 0.00 H new ATOM 952 N ASN A 57 97.490 9.521 -3.862 1.00 0.00 N ATOM 953 CA ASN A 57 98.132 9.056 -5.120 1.00 0.00 C ATOM 954 C ASN A 57 97.021 8.719 -6.131 1.00 0.00 C ATOM 955 O ASN A 57 97.267 8.511 -7.301 1.00 0.00 O ATOM 956 CB ASN A 57 99.002 7.822 -4.801 1.00 0.00 C ATOM 957 CG ASN A 57 98.856 6.760 -5.887 1.00 0.00 C ATOM 958 OD1 ASN A 57 99.615 6.721 -6.835 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.901 5.892 -5.774 1.00 0.00 N ATOM 0 H ASN A 57 97.636 8.911 -3.057 1.00 0.00 H new ATOM 0 HA ASN A 57 98.774 9.824 -5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 57 100.047 8.120 -4.716 1.00 0.00 H new ATOM 0 HB3 ASN A 57 98.710 7.405 -3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.782 5.169 -6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 57 97.268 5.931 -4.975 1.00 0.00 H new ATOM 966 N TRP A 58 95.797 8.669 -5.672 1.00 0.00 N ATOM 967 CA TRP A 58 94.650 8.354 -6.575 1.00 0.00 C ATOM 968 C TRP A 58 94.562 9.390 -7.704 1.00 0.00 C ATOM 969 O TRP A 58 95.090 9.199 -8.782 1.00 0.00 O ATOM 970 CB TRP A 58 93.354 8.407 -5.761 1.00 0.00 C ATOM 971 CG TRP A 58 93.003 7.053 -5.224 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.806 6.737 -4.684 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.813 5.841 -5.148 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.820 5.411 -4.300 1.00 0.00 N ATOM 975 CE2 TRP A 58 93.033 4.816 -4.561 1.00 0.00 C ATOM 976 CE3 TRP A 58 95.128 5.527 -5.529 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.537 3.533 -4.360 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.640 4.235 -5.324 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.846 3.240 -4.741 1.00 0.00 C ATOM 0 H TRP A 58 95.541 8.835 -4.699 1.00 0.00 H new ATOM 0 HA TRP A 58 94.796 7.364 -7.006 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.466 9.111 -4.937 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.542 8.776 -6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.972 7.413 -4.571 1.00 0.00 H new ATOM 0 HE1 TRP A 58 91.027 4.931 -3.874 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.750 6.284 -5.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.918 2.770 -3.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.654 4.007 -5.618 1.00 0.00 H new ATOM 0 HH2 TRP A 58 95.246 2.249 -4.587 1.00 0.00 H new ATOM 990 N ALA A 59 93.875 10.474 -7.457 1.00 0.00 N ATOM 991 CA ALA A 59 93.701 11.538 -8.494 1.00 0.00 C ATOM 992 C ALA A 59 94.946 11.679 -9.377 1.00 0.00 C ATOM 993 O ALA A 59 94.845 11.989 -10.547 1.00 0.00 O ATOM 994 CB ALA A 59 93.429 12.872 -7.798 1.00 0.00 C ATOM 0 H ALA A 59 93.419 10.672 -6.566 1.00 0.00 H new ATOM 0 HA ALA A 59 92.864 11.256 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 59 93.301 13.654 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.522 12.791 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.270 13.123 -7.152 1.00 0.00 H new ATOM 1000 N ILE A 60 96.118 11.478 -8.841 1.00 0.00 N ATOM 1001 CA ILE A 60 97.343 11.633 -9.680 1.00 0.00 C ATOM 1002 C ILE A 60 97.649 10.324 -10.416 1.00 0.00 C ATOM 1003 O ILE A 60 97.413 10.201 -11.601 1.00 0.00 O ATOM 1004 CB ILE A 60 98.536 12.023 -8.797 1.00 0.00 C ATOM 1005 CG1 ILE A 60 98.038 12.771 -7.557 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.477 12.933 -9.588 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.054 13.864 -7.979 1.00 0.00 C ATOM 0 H ILE A 60 96.282 11.216 -7.869 1.00 0.00 H new ATOM 0 HA ILE A 60 97.168 12.419 -10.414 1.00 0.00 H new ATOM 0 HB ILE A 60 99.066 11.121 -8.490 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.554 12.076 -6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 60 98.880 13.212 -7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 60 100.325 13.211 -8.962 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.836 12.405 -10.472 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.942 13.832 -9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.700 14.396 -7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 60 97.553 14.564 -8.648 1.00 0.00 H new ATOM 0 HD13 ILE A 60 96.206 13.412 -8.494 1.00 0.00 H new ATOM 1019 N HIS A 61 98.180 9.348 -9.730 1.00 0.00 N ATOM 1020 CA HIS A 61 98.507 8.054 -10.397 1.00 0.00 C ATOM 1021 C HIS A 61 97.317 7.570 -11.230 1.00 0.00 C ATOM 1022 O HIS A 61 97.335 7.628 -12.443 1.00 0.00 O ATOM 1023 CB HIS A 61 98.841 7.007 -9.334 1.00 0.00 C ATOM 1024 CG HIS A 61 98.961 5.657 -9.984 1.00 0.00 C ATOM 1025 ND1 HIS A 61 100.152 5.203 -10.525 1.00 0.00 N ATOM 1026 CD2 HIS A 61 98.049 4.652 -10.185 1.00 0.00 C ATOM 1027 CE1 HIS A 61 99.928 3.975 -11.022 1.00 0.00 C ATOM 1028 NE2 HIS A 61 98.662 3.589 -10.841 1.00 0.00 N ATOM 0 H HIS A 61 98.402 9.391 -8.735 1.00 0.00 H new ATOM 0 HA HIS A 61 99.363 8.201 -11.055 1.00 0.00 H new ATOM 0 HB2 HIS A 61 99.774 7.266 -8.833 1.00 0.00 H new ATOM 0 HB3 HIS A 61 98.064 6.987 -8.570 1.00 0.00 H new ATOM 0 HD2 HIS A 61 97.013 4.681 -9.880 1.00 0.00 H new ATOM 0 HE1 HIS A 61 100.681 3.373 -11.509 1.00 0.00 H new ATOM 0 HE2 HIS A 61 98.237 2.706 -11.123 1.00 0.00 H new ATOM 1036 N THR A 62 96.289 7.083 -10.586 1.00 0.00 N ATOM 1037 CA THR A 62 95.099 6.581 -11.334 1.00 0.00 C ATOM 1038 C THR A 62 94.783 7.515 -12.505 1.00 0.00 C ATOM 1039 O THR A 62 94.566 7.077 -13.617 1.00 0.00 O ATOM 1040 CB THR A 62 93.896 6.515 -10.390 1.00 0.00 C ATOM 1041 OG1 THR A 62 93.594 7.822 -9.921 1.00 0.00 O ATOM 1042 CG2 THR A 62 94.225 5.607 -9.204 1.00 0.00 C ATOM 0 H THR A 62 96.222 7.011 -9.571 1.00 0.00 H new ATOM 0 HA THR A 62 95.314 5.586 -11.723 1.00 0.00 H new ATOM 0 HB THR A 62 93.035 6.112 -10.924 1.00 0.00 H new ATOM 0 HG1 THR A 62 94.427 8.299 -9.724 1.00 0.00 H new ATOM 0 HG21 THR A 62 93.368 5.561 -8.532 1.00 0.00 H new ATOM 0 HG22 THR A 62 94.457 4.605 -9.566 1.00 0.00 H new ATOM 0 HG23 THR A 62 95.085 6.007 -8.667 1.00 0.00 H new ATOM 1050 N GLY A 63 94.754 8.797 -12.268 1.00 0.00 N ATOM 1051 CA GLY A 63 94.453 9.749 -13.375 1.00 0.00 C ATOM 1052 C GLY A 63 92.992 10.191 -13.286 1.00 0.00 C ATOM 1053 O GLY A 63 92.211 9.974 -14.190 1.00 0.00 O ATOM 0 H GLY A 63 94.925 9.226 -11.359 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.111 10.616 -13.312 1.00 0.00 H new ATOM 0 HA3 GLY A 63 94.642 9.275 -14.338 1.00 0.00 H new ATOM 1057 N LYS A 64 92.618 10.811 -12.202 1.00 0.00 N ATOM 1058 CA LYS A 64 91.208 11.267 -12.054 1.00 0.00 C ATOM 1059 C LYS A 64 91.190 12.750 -11.679 1.00 0.00 C ATOM 1060 O LYS A 64 90.207 13.263 -11.185 1.00 0.00 O ATOM 1061 CB LYS A 64 90.522 10.453 -10.954 1.00 0.00 C ATOM 1062 CG LYS A 64 89.636 9.383 -11.592 1.00 0.00 C ATOM 1063 CD LYS A 64 89.955 8.022 -10.970 1.00 0.00 C ATOM 1064 CE LYS A 64 90.471 7.075 -12.055 1.00 0.00 C ATOM 1065 NZ LYS A 64 89.317 6.426 -12.739 1.00 0.00 N ATOM 0 H LYS A 64 93.228 11.022 -11.412 1.00 0.00 H new ATOM 0 HA LYS A 64 90.678 11.124 -12.995 1.00 0.00 H new ATOM 0 HB2 LYS A 64 91.269 9.987 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 64 89.922 11.108 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 64 88.585 9.627 -11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 64 89.803 9.351 -12.669 1.00 0.00 H new ATOM 0 HD2 LYS A 64 90.703 8.135 -10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 64 89.063 7.605 -10.503 1.00 0.00 H new ATOM 0 HE2 LYS A 64 91.072 7.626 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 64 91.118 6.317 -11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 89.668 5.782 -13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 88.761 5.887 -12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 88.716 7.155 -13.173 1.00 0.00 H new ATOM 1079 N HIS A 65 92.271 13.444 -11.911 1.00 0.00 N ATOM 1080 CA HIS A 65 92.311 14.892 -11.567 1.00 0.00 C ATOM 1081 C HIS A 65 93.687 15.464 -11.916 1.00 0.00 C ATOM 1082 O HIS A 65 94.653 14.743 -12.075 1.00 0.00 O ATOM 1083 CB HIS A 65 92.040 15.066 -10.064 1.00 0.00 C ATOM 1084 CG HIS A 65 92.595 16.385 -9.584 1.00 0.00 C ATOM 1085 ND1 HIS A 65 91.915 17.583 -9.749 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.772 16.707 -8.955 1.00 0.00 C ATOM 1087 CE1 HIS A 65 92.683 18.559 -9.228 1.00 0.00 C ATOM 1088 NE2 HIS A 65 93.825 18.079 -8.730 1.00 0.00 N ATOM 0 H HIS A 65 93.126 13.071 -12.323 1.00 0.00 H new ATOM 0 HA HIS A 65 91.548 15.424 -12.135 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.968 15.023 -9.873 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.496 14.247 -9.508 1.00 0.00 H new ATOM 0 HD2 HIS A 65 94.541 16.002 -8.677 1.00 0.00 H new ATOM 0 HE1 HIS A 65 92.408 19.603 -9.215 1.00 0.00 H new ATOM 0 HE2 HIS A 65 94.575 18.605 -8.281 1.00 0.00 H new ATOM 1096 N GLN A 66 93.778 16.759 -12.021 1.00 0.00 N ATOM 1097 CA GLN A 66 95.080 17.400 -12.344 1.00 0.00 C ATOM 1098 C GLN A 66 95.068 18.832 -11.803 1.00 0.00 C ATOM 1099 O GLN A 66 94.036 19.472 -11.773 1.00 0.00 O ATOM 1100 CB GLN A 66 95.284 17.415 -13.860 1.00 0.00 C ATOM 1101 CG GLN A 66 95.566 15.992 -14.348 1.00 0.00 C ATOM 1102 CD GLN A 66 96.141 16.039 -15.766 1.00 0.00 C ATOM 1103 OE1 GLN A 66 97.131 16.848 -16.029 1.00 0.00 O flip ATOM 1104 NE2 GLN A 66 95.688 15.329 -16.641 1.00 0.00 N flip ATOM 0 H GLN A 66 92.999 17.406 -11.896 1.00 0.00 H new ATOM 0 HA GLN A 66 95.896 16.841 -11.887 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.397 17.812 -14.354 1.00 0.00 H new ATOM 0 HB3 GLN A 66 96.114 18.072 -14.120 1.00 0.00 H new ATOM 0 HG2 GLN A 66 96.269 15.499 -13.676 1.00 0.00 H new ATOM 0 HG3 GLN A 66 94.648 15.404 -14.336 1.00 0.00 H new ATOM 0 HE21 GLN A 66 94.914 14.697 -16.435 1.00 0.00 H new ATOM 0 HE22 GLN A 66 96.081 15.365 -17.581 1.00 0.00 H new ATOM 1113 N PRO A 67 96.217 19.289 -11.379 1.00 0.00 N ATOM 1114 CA PRO A 67 96.372 20.641 -10.818 1.00 0.00 C ATOM 1115 C PRO A 67 96.380 21.691 -11.933 1.00 0.00 C ATOM 1116 O PRO A 67 97.270 21.726 -12.759 1.00 0.00 O ATOM 1117 CB PRO A 67 97.728 20.584 -10.109 1.00 0.00 C ATOM 1118 CG PRO A 67 98.514 19.421 -10.764 1.00 0.00 C ATOM 1119 CD PRO A 67 97.467 18.503 -11.423 1.00 0.00 C ATOM 0 HA PRO A 67 95.558 20.921 -10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 67 98.264 21.526 -10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 67 97.601 20.413 -9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.220 19.798 -11.504 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.094 18.876 -10.019 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.745 18.253 -12.447 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.365 17.562 -10.882 1.00 0.00 H new ATOM 1127 N GLY A 68 95.396 22.547 -11.961 1.00 0.00 N ATOM 1128 CA GLY A 68 95.348 23.595 -13.019 1.00 0.00 C ATOM 1129 C GLY A 68 94.355 23.184 -14.108 1.00 0.00 C ATOM 1130 O GLY A 68 93.778 24.016 -14.780 1.00 0.00 O ATOM 0 H GLY A 68 94.623 22.566 -11.296 1.00 0.00 H new ATOM 0 HA2 GLY A 68 95.052 24.550 -12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 68 96.339 23.735 -13.451 1.00 0.00 H new ATOM 1134 N ILE A 69 94.150 21.907 -14.290 1.00 0.00 N ATOM 1135 CA ILE A 69 93.194 21.451 -15.338 1.00 0.00 C ATOM 1136 C ILE A 69 91.880 21.018 -14.683 1.00 0.00 C ATOM 1137 O ILE A 69 90.940 20.635 -15.350 1.00 0.00 O ATOM 1138 CB ILE A 69 93.798 20.268 -16.098 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.156 20.672 -16.675 1.00 0.00 C ATOM 1140 CG2 ILE A 69 92.864 19.861 -17.239 1.00 0.00 C ATOM 1141 CD1 ILE A 69 95.784 19.473 -17.388 1.00 0.00 C ATOM 0 H ILE A 69 94.602 21.162 -13.760 1.00 0.00 H new ATOM 0 HA ILE A 69 93.000 22.270 -16.031 1.00 0.00 H new ATOM 0 HB ILE A 69 93.926 19.428 -15.415 1.00 0.00 H new ATOM 0 HG12 ILE A 69 95.035 21.501 -17.372 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.813 21.020 -15.878 1.00 0.00 H new ATOM 0 HG21 ILE A 69 93.295 19.018 -17.779 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.895 19.573 -16.831 1.00 0.00 H new ATOM 0 HG23 ILE A 69 92.735 20.702 -17.921 1.00 0.00 H new ATOM 0 HD11 ILE A 69 96.752 19.760 -17.799 1.00 0.00 H new ATOM 0 HD12 ILE A 69 95.919 18.657 -16.678 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.129 19.146 -18.196 1.00 0.00 H new ATOM 1153 N ASP A 70 91.804 21.075 -13.381 1.00 0.00 N ATOM 1154 CA ASP A 70 90.550 20.665 -12.690 1.00 0.00 C ATOM 1155 C ASP A 70 90.669 20.957 -11.192 1.00 0.00 C ATOM 1156 O ASP A 70 91.748 21.158 -10.673 1.00 0.00 O ATOM 1157 CB ASP A 70 90.319 19.167 -12.900 1.00 0.00 C ATOM 1158 CG ASP A 70 88.818 18.889 -12.990 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.061 19.845 -13.042 1.00 0.00 O ATOM 1160 OD2 ASP A 70 88.450 17.726 -13.007 1.00 0.00 O ATOM 0 H ASP A 70 92.556 21.388 -12.767 1.00 0.00 H new ATOM 0 HA ASP A 70 89.711 21.225 -13.102 1.00 0.00 H new ATOM 0 HB2 ASP A 70 90.816 18.836 -13.812 1.00 0.00 H new ATOM 0 HB3 ASP A 70 90.755 18.602 -12.076 1.00 0.00 H new ATOM 1165 N LYS A 71 89.565 20.980 -10.495 1.00 0.00 N ATOM 1166 CA LYS A 71 89.612 21.258 -9.031 1.00 0.00 C ATOM 1167 C LYS A 71 89.883 19.953 -8.273 1.00 0.00 C ATOM 1168 O LYS A 71 89.563 18.883 -8.751 1.00 0.00 O ATOM 1169 CB LYS A 71 88.272 21.843 -8.580 1.00 0.00 C ATOM 1170 CG LYS A 71 87.868 22.978 -9.524 1.00 0.00 C ATOM 1171 CD LYS A 71 86.807 22.475 -10.505 1.00 0.00 C ATOM 1172 CE LYS A 71 85.582 23.389 -10.446 1.00 0.00 C ATOM 1173 NZ LYS A 71 84.585 22.951 -11.466 1.00 0.00 N ATOM 0 H LYS A 71 88.633 20.818 -10.876 1.00 0.00 H new ATOM 0 HA LYS A 71 90.408 21.972 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 71 87.506 21.067 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.351 22.216 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 71 87.479 23.820 -8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 71 88.740 23.339 -10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 71 87.212 22.457 -11.517 1.00 0.00 H new ATOM 0 HD3 LYS A 71 86.523 21.452 -10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.138 23.357 -9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.877 24.422 -10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 83.752 23.572 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 85.011 23.004 -12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 84.296 21.971 -11.271 1.00 0.00 H new ATOM 1187 N PRO A 72 90.472 20.086 -7.112 1.00 0.00 N ATOM 1188 CA PRO A 72 90.810 18.937 -6.255 1.00 0.00 C ATOM 1189 C PRO A 72 89.569 18.424 -5.517 1.00 0.00 C ATOM 1190 O PRO A 72 88.698 19.184 -5.142 1.00 0.00 O ATOM 1191 CB PRO A 72 91.830 19.513 -5.270 1.00 0.00 C ATOM 1192 CG PRO A 72 91.596 21.042 -5.244 1.00 0.00 C ATOM 1193 CD PRO A 72 90.855 21.397 -6.546 1.00 0.00 C ATOM 0 HA PRO A 72 91.196 18.087 -6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 72 91.697 19.083 -4.277 1.00 0.00 H new ATOM 0 HB3 PRO A 72 92.848 19.281 -5.584 1.00 0.00 H new ATOM 0 HG2 PRO A 72 91.007 21.329 -4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 72 92.543 21.578 -5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 72 89.980 22.018 -6.350 1.00 0.00 H new ATOM 0 HD3 PRO A 72 91.495 21.955 -7.230 1.00 0.00 H new ATOM 1201 N ASP A 73 89.488 17.139 -5.306 1.00 0.00 N ATOM 1202 CA ASP A 73 88.311 16.569 -4.590 1.00 0.00 C ATOM 1203 C ASP A 73 88.773 15.399 -3.713 1.00 0.00 C ATOM 1204 O ASP A 73 88.934 14.296 -4.193 1.00 0.00 O ATOM 1205 CB ASP A 73 87.291 16.065 -5.614 1.00 0.00 C ATOM 1206 CG ASP A 73 87.934 14.989 -6.489 1.00 0.00 C ATOM 1207 OD1 ASP A 73 88.815 15.330 -7.261 1.00 0.00 O ATOM 1208 OD2 ASP A 73 87.533 13.843 -6.374 1.00 0.00 O ATOM 0 H ASP A 73 90.188 16.457 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 73 87.852 17.336 -3.966 1.00 0.00 H new ATOM 0 HB2 ASP A 73 86.418 15.659 -5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.943 16.892 -6.233 1.00 0.00 H new ATOM 1213 N PRO A 74 88.981 15.679 -2.451 1.00 0.00 N ATOM 1214 CA PRO A 74 89.439 14.668 -1.480 1.00 0.00 C ATOM 1215 C PRO A 74 88.283 13.760 -1.050 1.00 0.00 C ATOM 1216 O PRO A 74 88.468 12.586 -0.799 1.00 0.00 O ATOM 1217 CB PRO A 74 89.941 15.506 -0.301 1.00 0.00 C ATOM 1218 CG PRO A 74 89.240 16.880 -0.411 1.00 0.00 C ATOM 1219 CD PRO A 74 88.781 17.024 -1.874 1.00 0.00 C ATOM 0 HA PRO A 74 90.203 14.005 -1.886 1.00 0.00 H new ATOM 0 HB2 PRO A 74 89.703 15.024 0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.024 15.619 -0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 74 88.390 16.937 0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 74 89.921 17.686 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 74 87.737 17.332 -1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 74 89.367 17.775 -2.403 1.00 0.00 H new ATOM 1227 N LYS A 75 87.095 14.290 -0.958 1.00 0.00 N ATOM 1228 CA LYS A 75 85.938 13.449 -0.538 1.00 0.00 C ATOM 1229 C LYS A 75 85.864 12.199 -1.418 1.00 0.00 C ATOM 1230 O LYS A 75 85.889 11.085 -0.933 1.00 0.00 O ATOM 1231 CB LYS A 75 84.643 14.250 -0.682 1.00 0.00 C ATOM 1232 CG LYS A 75 83.704 13.913 0.478 1.00 0.00 C ATOM 1233 CD LYS A 75 83.864 14.958 1.585 1.00 0.00 C ATOM 1234 CE LYS A 75 84.897 14.471 2.603 1.00 0.00 C ATOM 1235 NZ LYS A 75 84.477 13.148 3.146 1.00 0.00 N ATOM 0 H LYS A 75 86.875 15.266 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 75 86.068 13.152 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.862 15.318 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.163 14.017 -1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 75 82.671 13.892 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 75 83.930 12.920 0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 75 84.180 15.910 1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 75 82.907 15.131 2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 75 85.876 14.388 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 75 84.994 15.194 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 84.706 13.100 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 83.452 13.029 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 84.980 12.390 2.641 1.00 0.00 H new ATOM 1249 N THR A 76 85.771 12.373 -2.709 1.00 0.00 N ATOM 1250 CA THR A 76 85.693 11.193 -3.616 1.00 0.00 C ATOM 1251 C THR A 76 87.032 10.453 -3.609 1.00 0.00 C ATOM 1252 O THR A 76 87.094 9.261 -3.836 1.00 0.00 O ATOM 1253 CB THR A 76 85.375 11.660 -5.040 1.00 0.00 C ATOM 1254 OG1 THR A 76 84.584 12.838 -4.984 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.609 10.563 -5.780 1.00 0.00 C ATOM 0 H THR A 76 85.746 13.281 -3.174 1.00 0.00 H new ATOM 0 HA THR A 76 84.906 10.523 -3.270 1.00 0.00 H new ATOM 0 HB THR A 76 86.304 11.871 -5.570 1.00 0.00 H new ATOM 0 HG1 THR A 76 84.381 13.139 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 76 84.383 10.897 -6.793 1.00 0.00 H new ATOM 0 HG22 THR A 76 85.218 9.660 -5.823 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.679 10.350 -5.253 1.00 0.00 H new ATOM 1263 N TRP A 77 88.105 11.148 -3.349 1.00 0.00 N ATOM 1264 CA TRP A 77 89.438 10.482 -3.327 1.00 0.00 C ATOM 1265 C TRP A 77 89.399 9.296 -2.360 1.00 0.00 C ATOM 1266 O TRP A 77 89.960 8.251 -2.624 1.00 0.00 O ATOM 1267 CB TRP A 77 90.499 11.484 -2.867 1.00 0.00 C ATOM 1268 CG TRP A 77 90.774 12.457 -3.968 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.278 12.369 -5.225 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.596 13.659 -3.935 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.743 13.442 -5.965 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.559 14.265 -5.214 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.362 14.278 -2.930 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.258 15.441 -5.486 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.067 15.462 -3.202 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.014 16.043 -4.477 1.00 0.00 C ATOM 0 H TRP A 77 88.116 12.148 -3.151 1.00 0.00 H new ATOM 0 HA TRP A 77 89.685 10.126 -4.327 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.155 12.012 -1.978 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.415 10.960 -2.592 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.626 11.589 -5.590 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.511 13.605 -6.945 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.408 13.840 -1.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.215 15.883 -6.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 93.654 15.928 -2.424 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.557 16.955 -4.679 1.00 0.00 H new ATOM 1287 N LYS A 78 88.740 9.448 -1.245 1.00 0.00 N ATOM 1288 CA LYS A 78 88.664 8.329 -0.263 1.00 0.00 C ATOM 1289 C LYS A 78 87.648 7.290 -0.747 1.00 0.00 C ATOM 1290 O LYS A 78 87.919 6.105 -0.766 1.00 0.00 O ATOM 1291 CB LYS A 78 88.227 8.871 1.100 1.00 0.00 C ATOM 1292 CG LYS A 78 87.917 7.704 2.040 1.00 0.00 C ATOM 1293 CD LYS A 78 87.550 8.243 3.424 1.00 0.00 C ATOM 1294 CE LYS A 78 86.035 8.164 3.621 1.00 0.00 C ATOM 1295 NZ LYS A 78 85.736 7.420 4.877 1.00 0.00 N ATOM 0 H LYS A 78 88.250 10.300 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 78 89.645 7.863 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 78 89.014 9.494 1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.347 9.503 0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 78 87.095 7.110 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 78 88.781 7.044 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 78 88.058 7.666 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 78 87.887 9.275 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 78 85.611 9.167 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 78 85.572 7.664 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 84.864 7.793 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 85.611 6.410 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 86.524 7.536 5.545 1.00 0.00 H new ATOM 1309 N ALA A 79 86.482 7.724 -1.136 1.00 0.00 N ATOM 1310 CA ALA A 79 85.449 6.762 -1.614 1.00 0.00 C ATOM 1311 C ALA A 79 86.059 5.841 -2.671 1.00 0.00 C ATOM 1312 O ALA A 79 85.578 4.751 -2.912 1.00 0.00 O ATOM 1313 CB ALA A 79 84.279 7.534 -2.225 1.00 0.00 C ATOM 0 H ALA A 79 86.199 8.704 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 79 85.093 6.165 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.523 6.831 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.843 8.191 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.636 8.131 -3.064 1.00 0.00 H new ATOM 1319 N ASN A 80 87.115 6.269 -3.308 1.00 0.00 N ATOM 1320 CA ASN A 80 87.752 5.416 -4.348 1.00 0.00 C ATOM 1321 C ASN A 80 88.527 4.282 -3.677 1.00 0.00 C ATOM 1322 O ASN A 80 88.418 3.133 -4.056 1.00 0.00 O ATOM 1323 CB ASN A 80 88.714 6.263 -5.184 1.00 0.00 C ATOM 1324 CG ASN A 80 88.036 6.661 -6.496 1.00 0.00 C ATOM 1325 OD1 ASN A 80 88.406 6.187 -7.552 1.00 0.00 O ATOM 1326 ND2 ASN A 80 87.053 7.518 -6.474 1.00 0.00 N ATOM 0 H ASN A 80 87.563 7.172 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 80 86.980 4.996 -4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 80 89.007 7.154 -4.629 1.00 0.00 H new ATOM 0 HB3 ASN A 80 89.625 5.701 -5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.594 7.791 -7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 80 86.743 7.916 -5.587 1.00 0.00 H new ATOM 1333 N PHE A 81 89.312 4.595 -2.682 1.00 0.00 N ATOM 1334 CA PHE A 81 90.097 3.534 -1.989 1.00 0.00 C ATOM 1335 C PHE A 81 89.135 2.539 -1.341 1.00 0.00 C ATOM 1336 O PHE A 81 89.186 1.356 -1.602 1.00 0.00 O ATOM 1337 CB PHE A 81 90.979 4.172 -0.910 1.00 0.00 C ATOM 1338 CG PHE A 81 92.414 3.734 -1.096 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.823 2.471 -0.655 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.336 4.594 -1.706 1.00 0.00 C ATOM 1341 CE1 PHE A 81 94.153 2.065 -0.825 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.666 4.189 -1.876 1.00 0.00 C ATOM 1343 CZ PHE A 81 95.075 2.925 -1.435 1.00 0.00 C ATOM 0 H PHE A 81 89.444 5.539 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 81 90.729 3.015 -2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.911 5.258 -0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.626 3.882 0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 81 92.113 1.808 -0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 81 93.021 5.570 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 81 94.467 1.089 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.376 4.852 -2.347 1.00 0.00 H new ATOM 0 HZ PHE A 81 96.101 2.613 -1.565 1.00 0.00 H new ATOM 1353 N ARG A 82 88.259 3.023 -0.500 1.00 0.00 N ATOM 1354 CA ARG A 82 87.276 2.128 0.183 1.00 0.00 C ATOM 1355 C ARG A 82 86.817 1.018 -0.767 1.00 0.00 C ATOM 1356 O ARG A 82 86.480 -0.070 -0.345 1.00 0.00 O ATOM 1357 CB ARG A 82 86.064 2.955 0.620 1.00 0.00 C ATOM 1358 CG ARG A 82 85.826 2.759 2.118 1.00 0.00 C ATOM 1359 CD ARG A 82 87.115 3.057 2.884 1.00 0.00 C ATOM 1360 NE ARG A 82 86.807 3.926 4.054 1.00 0.00 N ATOM 1361 CZ ARG A 82 86.070 3.472 5.033 1.00 0.00 C ATOM 1362 NH1 ARG A 82 85.601 2.253 4.990 1.00 0.00 N ATOM 1363 NH2 ARG A 82 85.803 4.236 6.056 1.00 0.00 N ATOM 0 H ARG A 82 88.181 4.010 -0.254 1.00 0.00 H new ATOM 0 HA ARG A 82 87.752 1.673 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 82 86.233 4.010 0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.181 2.651 0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 82 85.027 3.418 2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.502 1.737 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 82 87.575 2.127 3.219 1.00 0.00 H new ATOM 0 HD3 ARG A 82 87.834 3.551 2.230 1.00 0.00 H new ATOM 0 HE ARG A 82 87.172 4.878 4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 82 85.810 1.654 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 82 85.026 1.901 5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 82 86.169 5.187 6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 82 85.228 3.882 6.820 1.00 0.00 H new ATOM 1377 N CYS A 83 86.801 1.280 -2.045 1.00 0.00 N ATOM 1378 CA CYS A 83 86.364 0.235 -3.013 1.00 0.00 C ATOM 1379 C CYS A 83 87.512 -0.750 -3.264 1.00 0.00 C ATOM 1380 O CYS A 83 87.333 -1.950 -3.215 1.00 0.00 O ATOM 1381 CB CYS A 83 85.970 0.899 -4.332 1.00 0.00 C ATOM 1382 SG CYS A 83 84.471 1.884 -4.088 1.00 0.00 S ATOM 0 H CYS A 83 87.071 2.172 -2.460 1.00 0.00 H new ATOM 0 HA CYS A 83 85.509 -0.303 -2.602 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.781 1.534 -4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.799 0.141 -5.096 1.00 0.00 H new ATOM 0 HG CYS A 83 84.790 3.045 -3.597 1.00 0.00 H new ATOM 1388 N ALA A 84 88.687 -0.250 -3.536 1.00 0.00 N ATOM 1389 CA ALA A 84 89.846 -1.154 -3.797 1.00 0.00 C ATOM 1390 C ALA A 84 89.890 -2.260 -2.746 1.00 0.00 C ATOM 1391 O ALA A 84 90.303 -3.370 -3.018 1.00 0.00 O ATOM 1392 CB ALA A 84 91.146 -0.348 -3.747 1.00 0.00 C ATOM 0 H ALA A 84 88.896 0.747 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 84 89.734 -1.603 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.991 -1.009 -3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 84 91.119 0.434 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 84 91.255 0.106 -2.762 1.00 0.00 H new ATOM 1398 N MET A 85 89.468 -1.976 -1.550 1.00 0.00 N ATOM 1399 CA MET A 85 89.488 -3.030 -0.498 1.00 0.00 C ATOM 1400 C MET A 85 88.154 -3.779 -0.519 1.00 0.00 C ATOM 1401 O MET A 85 88.090 -4.962 -0.246 1.00 0.00 O ATOM 1402 CB MET A 85 89.710 -2.411 0.888 1.00 0.00 C ATOM 1403 CG MET A 85 89.060 -1.023 0.967 1.00 0.00 C ATOM 1404 SD MET A 85 90.261 0.321 0.674 1.00 0.00 S ATOM 1405 CE MET A 85 91.664 -0.613 0.011 1.00 0.00 C ATOM 0 H MET A 85 89.112 -1.067 -1.254 1.00 0.00 H new ATOM 0 HA MET A 85 90.308 -3.719 -0.701 1.00 0.00 H new ATOM 0 HB2 MET A 85 89.288 -3.061 1.655 1.00 0.00 H new ATOM 0 HB3 MET A 85 90.778 -2.331 1.090 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.258 -0.957 0.232 1.00 0.00 H new ATOM 0 HG3 MET A 85 88.604 -0.893 1.949 1.00 0.00 H new ATOM 0 HE1 MET A 85 92.275 0.041 -0.611 1.00 0.00 H new ATOM 0 HE2 MET A 85 92.266 -0.998 0.834 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.296 -1.445 -0.590 1.00 0.00 H new ATOM 1415 N ASN A 86 87.090 -3.099 -0.845 1.00 0.00 N ATOM 1416 CA ASN A 86 85.760 -3.769 -0.887 1.00 0.00 C ATOM 1417 C ASN A 86 85.513 -4.330 -2.289 1.00 0.00 C ATOM 1418 O ASN A 86 84.386 -4.515 -2.704 1.00 0.00 O ATOM 1419 CB ASN A 86 84.671 -2.752 -0.542 1.00 0.00 C ATOM 1420 CG ASN A 86 84.963 -2.142 0.831 1.00 0.00 C ATOM 1421 OD1 ASN A 86 85.838 -2.603 1.537 1.00 0.00 O ATOM 1422 ND2 ASN A 86 84.265 -1.119 1.240 1.00 0.00 N ATOM 0 H ASN A 86 87.084 -2.107 -1.084 1.00 0.00 H new ATOM 0 HA ASN A 86 85.739 -4.585 -0.164 1.00 0.00 H new ATOM 0 HB2 ASN A 86 84.635 -1.969 -1.300 1.00 0.00 H new ATOM 0 HB3 ASN A 86 83.694 -3.236 -0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 86 84.453 -0.705 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 86 83.531 -0.733 0.647 1.00 0.00 H new ATOM 1429 N SER A 87 86.556 -4.601 -3.024 1.00 0.00 N ATOM 1430 CA SER A 87 86.377 -5.151 -4.397 1.00 0.00 C ATOM 1431 C SER A 87 87.210 -6.419 -4.553 1.00 0.00 C ATOM 1432 O SER A 87 87.437 -7.122 -3.596 1.00 0.00 O ATOM 1433 CB SER A 87 86.826 -4.113 -5.426 1.00 0.00 C ATOM 1434 OG SER A 87 86.268 -2.850 -5.091 1.00 0.00 O ATOM 0 H SER A 87 87.524 -4.465 -2.733 1.00 0.00 H new ATOM 0 HA SER A 87 85.325 -5.388 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.914 -4.050 -5.445 1.00 0.00 H new ATOM 0 HB3 SER A 87 86.507 -4.412 -6.424 1.00 0.00 H new ATOM 0 HG SER A 87 86.479 -2.636 -4.158 1.00 0.00 H new ATOM 1440 N LEU A 88 87.663 -6.696 -5.754 1.00 0.00 N ATOM 1441 CA LEU A 88 88.497 -7.917 -6.026 1.00 0.00 C ATOM 1442 C LEU A 88 88.109 -9.073 -5.080 1.00 0.00 C ATOM 1443 O LEU A 88 88.394 -9.036 -3.901 1.00 0.00 O ATOM 1444 CB LEU A 88 89.984 -7.583 -5.834 1.00 0.00 C ATOM 1445 CG LEU A 88 90.171 -6.077 -5.618 1.00 0.00 C ATOM 1446 CD1 LEU A 88 89.935 -5.735 -4.143 1.00 0.00 C ATOM 1447 CD2 LEU A 88 91.593 -5.683 -6.017 1.00 0.00 C ATOM 0 H LEU A 88 87.487 -6.117 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 88 88.316 -8.231 -7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.379 -8.131 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 88 90.551 -7.905 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 88 89.456 -5.529 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.069 -4.664 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 88 88.920 -6.017 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 88 90.648 -6.280 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 88 91.730 -4.612 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 88 92.308 -6.231 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 88 91.756 -5.924 -7.067 1.00 0.00 H new ATOM 1459 N PRO A 89 87.479 -10.084 -5.632 1.00 0.00 N ATOM 1460 CA PRO A 89 87.033 -11.258 -4.854 1.00 0.00 C ATOM 1461 C PRO A 89 88.221 -12.118 -4.405 1.00 0.00 C ATOM 1462 O PRO A 89 88.047 -13.166 -3.815 1.00 0.00 O ATOM 1463 CB PRO A 89 86.122 -12.015 -5.826 1.00 0.00 C ATOM 1464 CG PRO A 89 86.523 -11.551 -7.245 1.00 0.00 C ATOM 1465 CD PRO A 89 87.175 -10.166 -7.076 1.00 0.00 C ATOM 0 HA PRO A 89 86.521 -10.982 -3.932 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.248 -13.092 -5.719 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.073 -11.796 -5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.218 -12.255 -7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 89 85.651 -11.494 -7.897 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.078 -10.074 -7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 89 86.501 -9.368 -7.387 1.00 0.00 H new ATOM 1473 N ASP A 90 89.425 -11.684 -4.661 1.00 0.00 N ATOM 1474 CA ASP A 90 90.605 -12.478 -4.226 1.00 0.00 C ATOM 1475 C ASP A 90 91.159 -11.886 -2.926 1.00 0.00 C ATOM 1476 O ASP A 90 92.132 -12.365 -2.384 1.00 0.00 O ATOM 1477 CB ASP A 90 91.684 -12.433 -5.311 1.00 0.00 C ATOM 1478 CG ASP A 90 92.288 -11.030 -5.378 1.00 0.00 C ATOM 1479 OD1 ASP A 90 91.550 -10.078 -5.191 1.00 0.00 O ATOM 1480 OD2 ASP A 90 93.480 -10.931 -5.620 1.00 0.00 O ATOM 0 H ASP A 90 89.641 -10.816 -5.151 1.00 0.00 H new ATOM 0 HA ASP A 90 90.307 -13.513 -4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.462 -13.165 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 90 91.254 -12.701 -6.276 1.00 0.00 H new ATOM 1485 N ILE A 91 90.547 -10.844 -2.424 1.00 0.00 N ATOM 1486 CA ILE A 91 91.041 -10.222 -1.161 1.00 0.00 C ATOM 1487 C ILE A 91 89.964 -10.356 -0.077 1.00 0.00 C ATOM 1488 O ILE A 91 88.781 -10.280 -0.342 1.00 0.00 O ATOM 1489 CB ILE A 91 91.402 -8.734 -1.411 1.00 0.00 C ATOM 1490 CG1 ILE A 91 90.934 -7.832 -0.257 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.762 -8.247 -2.707 1.00 0.00 C ATOM 1492 CD1 ILE A 91 91.069 -6.354 -0.659 1.00 0.00 C ATOM 0 H ILE A 91 89.727 -10.398 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 91 91.942 -10.734 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 91 92.488 -8.674 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 91 89.897 -8.056 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 91 91.528 -8.031 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 91 91.023 -7.201 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.127 -8.847 -3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.679 -8.344 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 91 90.736 -5.721 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 91 92.112 -6.133 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 91 90.456 -6.159 -1.539 1.00 0.00 H new ATOM 1504 N GLU A 92 90.380 -10.544 1.140 1.00 0.00 N ATOM 1505 CA GLU A 92 89.405 -10.674 2.262 1.00 0.00 C ATOM 1506 C GLU A 92 89.833 -9.728 3.382 1.00 0.00 C ATOM 1507 O GLU A 92 91.002 -9.565 3.642 1.00 0.00 O ATOM 1508 CB GLU A 92 89.396 -12.117 2.771 1.00 0.00 C ATOM 1509 CG GLU A 92 88.982 -13.054 1.635 1.00 0.00 C ATOM 1510 CD GLU A 92 88.335 -14.311 2.218 1.00 0.00 C ATOM 1511 OE1 GLU A 92 88.818 -14.786 3.232 1.00 0.00 O ATOM 1512 OE2 GLU A 92 87.367 -14.777 1.640 1.00 0.00 O ATOM 0 H GLU A 92 91.361 -10.614 1.412 1.00 0.00 H new ATOM 0 HA GLU A 92 88.401 -10.418 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.384 -12.390 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 92 88.705 -12.215 3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.283 -12.548 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 92 89.853 -13.324 1.037 1.00 0.00 H new ATOM 1519 N GLU A 93 88.905 -9.080 4.029 1.00 0.00 N ATOM 1520 CA GLU A 93 89.292 -8.124 5.105 1.00 0.00 C ATOM 1521 C GLU A 93 89.384 -8.824 6.466 1.00 0.00 C ATOM 1522 O GLU A 93 88.652 -9.748 6.761 1.00 0.00 O ATOM 1523 CB GLU A 93 88.262 -6.993 5.167 1.00 0.00 C ATOM 1524 CG GLU A 93 87.035 -7.440 5.968 1.00 0.00 C ATOM 1525 CD GLU A 93 85.764 -6.953 5.270 1.00 0.00 C ATOM 1526 OE1 GLU A 93 85.886 -6.324 4.230 1.00 0.00 O ATOM 1527 OE2 GLU A 93 84.690 -7.217 5.786 1.00 0.00 O ATOM 0 H GLU A 93 87.903 -9.169 3.862 1.00 0.00 H new ATOM 0 HA GLU A 93 90.277 -7.719 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.706 -6.111 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 93 87.963 -6.708 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 93 87.021 -8.526 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.083 -7.039 6.980 1.00 0.00 H new ATOM 1534 N VAL A 94 90.286 -8.369 7.293 1.00 0.00 N ATOM 1535 CA VAL A 94 90.459 -8.966 8.647 1.00 0.00 C ATOM 1536 C VAL A 94 90.909 -7.864 9.612 1.00 0.00 C ATOM 1537 O VAL A 94 92.086 -7.681 9.859 1.00 0.00 O ATOM 1538 CB VAL A 94 91.525 -10.065 8.589 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.954 -10.441 10.009 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.943 -11.294 7.889 1.00 0.00 C ATOM 0 H VAL A 94 90.919 -7.597 7.084 1.00 0.00 H new ATOM 0 HA VAL A 94 89.519 -9.399 8.988 1.00 0.00 H new ATOM 0 HB VAL A 94 92.392 -9.703 8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 94 92.712 -11.223 9.965 1.00 0.00 H new ATOM 0 HG12 VAL A 94 92.365 -9.564 10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 94 91.090 -10.804 10.566 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.698 -12.079 7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 94 90.077 -11.654 8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.639 -11.026 6.877 1.00 0.00 H new ATOM 1550 N LYS A 95 89.980 -7.115 10.143 1.00 0.00 N ATOM 1551 CA LYS A 95 90.350 -6.012 11.077 1.00 0.00 C ATOM 1552 C LYS A 95 90.040 -6.420 12.514 1.00 0.00 C ATOM 1553 O LYS A 95 89.756 -5.595 13.360 1.00 0.00 O ATOM 1554 CB LYS A 95 89.540 -4.769 10.726 1.00 0.00 C ATOM 1555 CG LYS A 95 88.059 -5.070 10.956 1.00 0.00 C ATOM 1556 CD LYS A 95 87.217 -3.870 10.523 1.00 0.00 C ATOM 1557 CE LYS A 95 86.423 -3.345 11.720 1.00 0.00 C ATOM 1558 NZ LYS A 95 85.597 -2.177 11.298 1.00 0.00 N ATOM 0 H LYS A 95 88.980 -7.219 9.970 1.00 0.00 H new ATOM 0 HA LYS A 95 91.416 -5.804 10.984 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.855 -3.926 11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.712 -4.487 9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.766 -5.955 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 95 87.882 -5.290 12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 95 87.861 -3.084 10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 95 86.538 -4.159 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 95 85.782 -4.132 12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 95 87.103 -3.053 12.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 85.058 -1.821 12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 86.218 -1.424 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 84.939 -2.470 10.548 1.00 0.00 H new ATOM 1727 N PHE A 106 94.436 -2.589 12.558 1.00 0.00 N ATOM 1728 CA PHE A 106 94.426 -2.233 11.109 1.00 0.00 C ATOM 1729 C PHE A 106 93.372 -3.066 10.380 1.00 0.00 C ATOM 1730 O PHE A 106 92.647 -3.845 10.967 1.00 0.00 O ATOM 1731 CB PHE A 106 95.776 -2.543 10.453 1.00 0.00 C ATOM 1732 CG PHE A 106 96.823 -2.892 11.474 1.00 0.00 C ATOM 1733 CD1 PHE A 106 96.800 -4.140 12.097 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.833 -1.973 11.771 1.00 0.00 C ATOM 1735 CE1 PHE A 106 97.788 -4.471 13.027 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.822 -2.302 12.697 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.802 -3.552 13.328 1.00 0.00 C ATOM 0 HA PHE A 106 94.212 -1.167 11.037 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.659 -3.371 9.754 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.106 -1.681 9.874 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.020 -4.849 11.861 1.00 0.00 H new ATOM 0 HD2 PHE A 106 97.847 -1.009 11.284 1.00 0.00 H new ATOM 0 HE1 PHE A 106 97.770 -5.435 13.514 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.603 -1.593 12.928 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.567 -3.807 14.046 1.00 0.00 H new ATOM 1747 N ARG A 107 93.339 -2.936 9.088 1.00 0.00 N ATOM 1748 CA ARG A 107 92.412 -3.734 8.251 1.00 0.00 C ATOM 1749 C ARG A 107 93.294 -4.719 7.488 1.00 0.00 C ATOM 1750 O ARG A 107 93.871 -4.399 6.460 1.00 0.00 O ATOM 1751 CB ARG A 107 91.659 -2.819 7.275 1.00 0.00 C ATOM 1752 CG ARG A 107 90.158 -3.101 7.339 1.00 0.00 C ATOM 1753 CD ARG A 107 89.411 -2.099 6.455 1.00 0.00 C ATOM 1754 NE ARG A 107 87.943 -2.325 6.583 1.00 0.00 N ATOM 1755 CZ ARG A 107 87.098 -1.454 6.099 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.535 -0.381 5.498 1.00 0.00 N ATOM 1757 NH2 ARG A 107 85.813 -1.658 6.215 1.00 0.00 N ATOM 0 H ARG A 107 93.932 -2.292 8.564 1.00 0.00 H new ATOM 0 HA ARG A 107 91.662 -4.249 8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.851 -1.775 7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 107 92.024 -2.979 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.954 -4.119 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.807 -3.026 8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 107 89.660 -1.080 6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 107 89.719 -2.214 5.416 1.00 0.00 H new ATOM 0 HE ARG A 107 87.597 -3.163 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.538 -0.221 5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 107 86.873 0.298 5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 107 85.470 -2.497 6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 107 85.153 -0.978 5.837 1.00 0.00 H new ATOM 1771 N VAL A 108 93.455 -5.894 8.023 1.00 0.00 N ATOM 1772 CA VAL A 108 94.341 -6.897 7.380 1.00 0.00 C ATOM 1773 C VAL A 108 93.629 -7.537 6.193 1.00 0.00 C ATOM 1774 O VAL A 108 92.706 -8.306 6.349 1.00 0.00 O ATOM 1775 CB VAL A 108 94.699 -7.960 8.416 1.00 0.00 C ATOM 1776 CG1 VAL A 108 95.855 -8.808 7.906 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.125 -7.271 9.711 1.00 0.00 C ATOM 0 H VAL A 108 93.007 -6.204 8.885 1.00 0.00 H new ATOM 0 HA VAL A 108 95.248 -6.415 7.015 1.00 0.00 H new ATOM 0 HB VAL A 108 93.832 -8.596 8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.106 -9.565 8.649 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.566 -9.295 6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.722 -8.172 7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.382 -8.024 10.456 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.992 -6.639 9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.305 -6.657 10.084 1.00 0.00 H new ATOM 1787 N TYR A 109 94.051 -7.221 5.001 1.00 0.00 N ATOM 1788 CA TYR A 109 93.392 -7.809 3.805 1.00 0.00 C ATOM 1789 C TYR A 109 94.226 -8.972 3.266 1.00 0.00 C ATOM 1790 O TYR A 109 95.288 -8.781 2.706 1.00 0.00 O ATOM 1791 CB TYR A 109 93.253 -6.737 2.725 1.00 0.00 C ATOM 1792 CG TYR A 109 91.958 -5.991 2.928 1.00 0.00 C ATOM 1793 CD1 TYR A 109 90.743 -6.573 2.552 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.977 -4.713 3.490 1.00 0.00 C ATOM 1795 CE1 TYR A 109 89.547 -5.876 2.741 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.779 -4.015 3.681 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.564 -4.598 3.307 1.00 0.00 C ATOM 1798 OH TYR A 109 88.383 -3.911 3.494 1.00 0.00 O ATOM 0 H TYR A 109 94.822 -6.583 4.805 1.00 0.00 H new ATOM 0 HA TYR A 109 92.406 -8.179 4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.095 -6.046 2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.271 -7.196 1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 109 90.729 -7.561 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 109 92.916 -4.263 3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 109 88.609 -6.325 2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 109 90.793 -3.027 4.117 1.00 0.00 H new ATOM 0 HH TYR A 109 88.341 -3.577 4.415 1.00 0.00 H new ATOM 1808 N ARG A 110 93.751 -10.178 3.424 1.00 0.00 N ATOM 1809 CA ARG A 110 94.510 -11.354 2.914 1.00 0.00 C ATOM 1810 C ARG A 110 94.068 -11.656 1.481 1.00 0.00 C ATOM 1811 O ARG A 110 92.911 -11.931 1.223 1.00 0.00 O ATOM 1812 CB ARG A 110 94.229 -12.569 3.802 1.00 0.00 C ATOM 1813 CG ARG A 110 95.203 -12.578 4.982 1.00 0.00 C ATOM 1814 CD ARG A 110 94.608 -13.397 6.128 1.00 0.00 C ATOM 1815 NE ARG A 110 95.369 -14.670 6.278 1.00 0.00 N ATOM 1816 CZ ARG A 110 94.892 -15.636 7.019 1.00 0.00 C ATOM 1817 NH1 ARG A 110 93.747 -15.491 7.630 1.00 0.00 N ATOM 1818 NH2 ARG A 110 95.565 -16.748 7.151 1.00 0.00 N ATOM 0 H ARG A 110 92.868 -10.399 3.885 1.00 0.00 H new ATOM 0 HA ARG A 110 95.578 -11.135 2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 110 93.202 -12.537 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 110 94.334 -13.487 3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 110 96.159 -13.003 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 110 95.399 -11.558 5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 110 94.648 -12.826 7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 110 93.558 -13.610 5.929 1.00 0.00 H new ATOM 0 HE ARG A 110 96.263 -14.788 5.802 1.00 0.00 H new ATOM 0 HH11 ARG A 110 93.222 -14.622 7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 110 93.378 -16.247 8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 110 96.461 -16.861 6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 110 95.195 -17.503 7.729 1.00 0.00 H new ATOM 1832 N MET A 111 94.976 -11.601 0.548 1.00 0.00 N ATOM 1833 CA MET A 111 94.609 -11.880 -0.871 1.00 0.00 C ATOM 1834 C MET A 111 94.873 -13.353 -1.196 1.00 0.00 C ATOM 1835 O MET A 111 96.000 -13.770 -1.367 1.00 0.00 O ATOM 1836 CB MET A 111 95.450 -10.998 -1.797 1.00 0.00 C ATOM 1837 CG MET A 111 95.284 -9.530 -1.399 1.00 0.00 C ATOM 1838 SD MET A 111 96.746 -8.594 -1.915 1.00 0.00 S ATOM 1839 CE MET A 111 96.334 -8.476 -3.673 1.00 0.00 C ATOM 0 H MET A 111 95.958 -11.375 0.705 1.00 0.00 H new ATOM 0 HA MET A 111 93.551 -11.663 -1.017 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.500 -11.285 -1.735 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.141 -11.142 -2.832 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.390 -9.115 -1.865 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.149 -9.448 -0.321 1.00 0.00 H new ATOM 0 HE1 MET A 111 97.172 -8.838 -4.268 1.00 0.00 H new ATOM 0 HE2 MET A 111 95.452 -9.082 -3.882 1.00 0.00 H new ATOM 0 HE3 MET A 111 96.129 -7.437 -3.930 1.00 0.00 H new ATOM 1849 N LEU A 112 93.840 -14.146 -1.288 1.00 0.00 N ATOM 1850 CA LEU A 112 94.032 -15.589 -1.608 1.00 0.00 C ATOM 1851 C LEU A 112 94.935 -15.727 -2.839 1.00 0.00 C ATOM 1852 O LEU A 112 95.029 -14.821 -3.642 1.00 0.00 O ATOM 1853 CB LEU A 112 92.674 -16.229 -1.908 1.00 0.00 C ATOM 1854 CG LEU A 112 91.755 -16.078 -0.696 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.328 -16.459 -1.090 1.00 0.00 C ATOM 1856 CD2 LEU A 112 92.235 -17.000 0.427 1.00 0.00 C ATOM 0 H LEU A 112 92.871 -13.856 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 112 94.495 -16.088 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.223 -15.756 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.804 -17.284 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 112 91.775 -15.044 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.671 -16.352 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.984 -15.804 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.309 -17.493 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.580 -16.892 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 112 92.214 -18.034 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 112 93.253 -16.731 0.708 1.00 0.00 H new ATOM 1868 N PRO A 113 95.570 -16.867 -2.948 1.00 0.00 N ATOM 1869 CA PRO A 113 96.474 -17.172 -4.071 1.00 0.00 C ATOM 1870 C PRO A 113 95.673 -17.522 -5.329 1.00 0.00 C ATOM 1871 O PRO A 113 95.343 -18.685 -5.492 1.00 0.00 O ATOM 1872 CB PRO A 113 97.269 -18.380 -3.578 1.00 0.00 C ATOM 1873 CG PRO A 113 96.417 -19.036 -2.474 1.00 0.00 C ATOM 1874 CD PRO A 113 95.445 -17.958 -1.963 1.00 0.00 C ATOM 1875 OXT PRO A 113 95.403 -16.620 -6.105 1.00 0.00 O ATOM 0 HA PRO A 113 97.112 -16.331 -4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.457 -19.080 -4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.240 -18.074 -3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 113 95.871 -19.894 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 113 97.049 -19.402 -1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.423 -18.334 -1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 113 95.712 -17.623 -0.961 1.00 0.00 H new