USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 84 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 1.2: A 88 THR OG1 : rot 81:sc= 1.21 USER MOD Set 2.1: A 47 SER OG : rot 99:sc= -2.03! USER MOD Set 2.2: A 56 HIS : no HD1:sc= 0.151 K(o=-1.9,f=-5.9) USER MOD Set 3.1: A 5 HIS : no HE2:sc= -7.54! C(o=-17!,f=-15!) USER MOD Set 3.2: A 86 GLN : amide:sc= -9.05! C(o=-17!,f=-15!) USER MOD Single : A 6 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0.026) USER MOD Single : A 9 LYS NZ :NH3+ -131:sc= -0.106! (180deg=-2.41!) USER MOD Single : A 10 THR OG1 : rot 48:sc= -4.29! USER MOD Single : A 12 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.069) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -63:sc= -0.754 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 19 ASN : amide:sc=-0.00598 K(o=-0.006,f=-0.8) USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= -0.415 (180deg=-1.66!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0896) USER MOD Single : A 32 THR OG1 : rot 93:sc= 0.0732 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -4.74! USER MOD Single : A 55 LYS NZ :NH3+ -125:sc= -22.8! (180deg=-31.2!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0358 K(o=-0.036,f=-2.2!) USER MOD Single : A 77 SER OG : rot 179:sc= -0.757! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=-0.094) USER MOD Single : A 89 SER OG : rot -170:sc= -0.757 USER MOD Single : A 92 GLN : amide:sc= -0.069 K(o=-0.069,f=-3.9!) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 94 ASN : amide:sc= -2.29! K(o=-2.3!,f=-1.6) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -3.99! C(o=-4!,f=-8.4!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 91.657 -1.646 -15.676 1.00 0.00 N ATOM 31 CA LEU A 3 91.746 -1.513 -14.183 1.00 0.00 C ATOM 32 C LEU A 3 90.541 -2.200 -13.531 1.00 0.00 C ATOM 33 O LEU A 3 89.463 -2.229 -14.087 1.00 0.00 O ATOM 34 CB LEU A 3 91.730 -0.031 -13.793 1.00 0.00 C ATOM 35 CG LEU A 3 93.042 0.649 -14.199 1.00 0.00 C ATOM 36 CD1 LEU A 3 94.226 -0.077 -13.560 1.00 0.00 C ATOM 37 CD2 LEU A 3 93.194 0.616 -15.722 1.00 0.00 C ATOM 0 HA LEU A 3 92.671 -1.978 -13.843 1.00 0.00 H new ATOM 0 HB2 LEU A 3 90.891 0.469 -14.277 1.00 0.00 H new ATOM 0 HB3 LEU A 3 91.582 0.066 -12.717 1.00 0.00 H new ATOM 0 HG LEU A 3 93.023 1.683 -13.856 1.00 0.00 H new ATOM 0 HD11 LEU A 3 95.155 0.413 -13.854 1.00 0.00 H new ATOM 0 HD12 LEU A 3 94.128 -0.048 -12.475 1.00 0.00 H new ATOM 0 HD13 LEU A 3 94.241 -1.114 -13.895 1.00 0.00 H new ATOM 0 HD21 LEU A 3 94.128 1.101 -16.005 1.00 0.00 H new ATOM 0 HD22 LEU A 3 93.204 -0.419 -16.064 1.00 0.00 H new ATOM 0 HD23 LEU A 3 92.358 1.143 -16.183 1.00 0.00 H new ATOM 49 N PRO A 4 90.722 -2.744 -12.355 1.00 0.00 N ATOM 50 CA PRO A 4 89.628 -3.435 -11.609 1.00 0.00 C ATOM 51 C PRO A 4 88.556 -2.458 -11.111 1.00 0.00 C ATOM 52 O PRO A 4 87.573 -2.841 -10.505 1.00 0.00 O ATOM 53 CB PRO A 4 90.347 -4.102 -10.434 1.00 0.00 C ATOM 54 CG PRO A 4 91.606 -3.319 -10.236 1.00 0.00 C ATOM 55 CD PRO A 4 91.988 -2.749 -11.600 1.00 0.00 C ATOM 0 HA PRO A 4 89.092 -4.143 -12.241 1.00 0.00 H new ATOM 0 HB2 PRO A 4 89.730 -4.085 -9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.566 -5.148 -10.651 1.00 0.00 H new ATOM 0 HG2 PRO A 4 91.454 -2.519 -9.511 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.400 -3.956 -9.846 1.00 0.00 H new ATOM 0 HD2 PRO A 4 92.403 -1.745 -11.510 1.00 0.00 H new ATOM 0 HD3 PRO A 4 92.743 -3.363 -12.091 1.00 0.00 H new ATOM 63 N HIS A 5 88.751 -1.196 -11.356 1.00 0.00 N ATOM 64 CA HIS A 5 87.766 -0.177 -10.903 1.00 0.00 C ATOM 65 C HIS A 5 86.513 -0.238 -11.773 1.00 0.00 C ATOM 66 O HIS A 5 85.437 0.149 -11.356 1.00 0.00 O ATOM 67 CB HIS A 5 88.410 1.204 -11.001 1.00 0.00 C ATOM 68 CG HIS A 5 89.517 1.281 -9.990 1.00 0.00 C ATOM 69 ND1 HIS A 5 89.267 1.158 -8.636 1.00 0.00 N ATOM 70 CD2 HIS A 5 90.878 1.437 -10.109 1.00 0.00 C ATOM 71 CE1 HIS A 5 90.444 1.233 -7.995 1.00 0.00 C ATOM 72 NE2 HIS A 5 91.463 1.403 -8.845 1.00 0.00 N ATOM 0 H HIS A 5 89.558 -0.822 -11.855 1.00 0.00 H new ATOM 0 HA HIS A 5 87.477 -0.375 -9.871 1.00 0.00 H new ATOM 0 HB2 HIS A 5 88.801 1.370 -12.005 1.00 0.00 H new ATOM 0 HB3 HIS A 5 87.670 1.982 -10.814 1.00 0.00 H new ATOM 0 HD1 HIS A 5 88.352 1.033 -8.202 1.00 0.00 H new ATOM 0 HD2 HIS A 5 91.411 1.566 -11.039 1.00 0.00 H new ATOM 0 HE1 HIS A 5 90.555 1.164 -6.923 1.00 0.00 H new ATOM 80 N HIS A 6 86.636 -0.723 -12.975 1.00 0.00 N ATOM 81 CA HIS A 6 85.446 -0.808 -13.862 1.00 0.00 C ATOM 82 C HIS A 6 84.395 -1.708 -13.195 1.00 0.00 C ATOM 83 O HIS A 6 83.205 -1.492 -13.322 1.00 0.00 O ATOM 84 CB HIS A 6 85.854 -1.400 -15.219 1.00 0.00 C ATOM 85 CG HIS A 6 86.740 -0.432 -15.973 1.00 0.00 C ATOM 86 ND1 HIS A 6 86.260 0.749 -16.526 1.00 0.00 N ATOM 87 CD2 HIS A 6 88.077 -0.472 -16.293 1.00 0.00 C ATOM 88 CE1 HIS A 6 87.292 1.358 -17.143 1.00 0.00 C ATOM 89 NE2 HIS A 6 88.421 0.657 -17.029 1.00 0.00 N ATOM 0 H HIS A 6 87.508 -1.064 -13.381 1.00 0.00 H new ATOM 0 HA HIS A 6 85.030 0.187 -14.022 1.00 0.00 H new ATOM 0 HB2 HIS A 6 86.380 -2.342 -15.068 1.00 0.00 H new ATOM 0 HB3 HIS A 6 84.964 -1.623 -15.808 1.00 0.00 H new ATOM 0 HD2 HIS A 6 88.758 -1.262 -16.014 1.00 0.00 H new ATOM 0 HE1 HIS A 6 87.214 2.300 -17.666 1.00 0.00 H new ATOM 0 HE2 HIS A 6 89.340 0.897 -17.402 1.00 0.00 H new ATOM 97 N ASP A 7 84.827 -2.716 -12.478 1.00 0.00 N ATOM 98 CA ASP A 7 83.867 -3.627 -11.798 1.00 0.00 C ATOM 99 C ASP A 7 83.915 -3.400 -10.287 1.00 0.00 C ATOM 100 O ASP A 7 84.933 -3.584 -9.649 1.00 0.00 O ATOM 101 CB ASP A 7 84.242 -5.072 -12.113 1.00 0.00 C ATOM 102 CG ASP A 7 83.887 -5.379 -13.567 1.00 0.00 C ATOM 103 OD1 ASP A 7 83.127 -4.615 -14.140 1.00 0.00 O ATOM 104 OD2 ASP A 7 84.376 -6.369 -14.083 1.00 0.00 O ATOM 0 H ASP A 7 85.811 -2.945 -12.336 1.00 0.00 H new ATOM 0 HA ASP A 7 82.857 -3.423 -12.154 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.308 -5.228 -11.946 1.00 0.00 H new ATOM 0 HB3 ASP A 7 83.712 -5.751 -11.446 1.00 0.00 H new ATOM 109 N GLU A 8 82.817 -3.006 -9.708 1.00 0.00 N ATOM 110 CA GLU A 8 82.790 -2.767 -8.241 1.00 0.00 C ATOM 111 C GLU A 8 83.022 -4.091 -7.502 1.00 0.00 C ATOM 112 O GLU A 8 83.325 -4.110 -6.328 1.00 0.00 O ATOM 113 CB GLU A 8 81.426 -2.198 -7.842 1.00 0.00 C ATOM 114 CG GLU A 8 81.264 -0.785 -8.403 1.00 0.00 C ATOM 115 CD GLU A 8 79.806 -0.347 -8.248 1.00 0.00 C ATOM 116 OE1 GLU A 8 79.024 -1.133 -7.738 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.497 0.765 -8.639 1.00 0.00 O ATOM 0 H GLU A 8 81.934 -2.839 -10.190 1.00 0.00 H new ATOM 0 HA GLU A 8 83.574 -2.058 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.630 -2.841 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 8 81.334 -2.180 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.922 -0.094 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.553 -0.762 -9.454 1.00 0.00 H new ATOM 124 N LYS A 9 82.873 -5.198 -8.180 1.00 0.00 N ATOM 125 CA LYS A 9 83.070 -6.525 -7.510 1.00 0.00 C ATOM 126 C LYS A 9 84.495 -6.636 -6.952 1.00 0.00 C ATOM 127 O LYS A 9 84.719 -7.195 -5.897 1.00 0.00 O ATOM 128 CB LYS A 9 82.884 -7.634 -8.543 1.00 0.00 C ATOM 129 CG LYS A 9 84.133 -7.660 -9.416 1.00 0.00 C ATOM 130 CD LYS A 9 83.866 -8.381 -10.731 1.00 0.00 C ATOM 131 CE LYS A 9 85.114 -8.226 -11.596 1.00 0.00 C ATOM 132 NZ LYS A 9 84.754 -8.333 -13.037 1.00 0.00 N ATOM 0 H LYS A 9 82.624 -5.245 -9.168 1.00 0.00 H new ATOM 0 HA LYS A 9 82.348 -6.617 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.740 -8.596 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 9 81.997 -7.449 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 9 84.462 -6.640 -9.617 1.00 0.00 H new ATOM 0 HG3 LYS A 9 84.943 -8.157 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 9 83.649 -9.435 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 9 82.996 -7.956 -11.232 1.00 0.00 H new ATOM 0 HE2 LYS A 9 85.584 -7.262 -11.401 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.843 -8.994 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 85.396 -9.003 -13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 83.775 -8.672 -13.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 84.839 -7.399 -13.486 1.00 0.00 H new ATOM 146 N THR A 10 85.454 -6.111 -7.662 1.00 0.00 N ATOM 147 CA THR A 10 86.872 -6.185 -7.207 1.00 0.00 C ATOM 148 C THR A 10 87.010 -5.584 -5.799 1.00 0.00 C ATOM 149 O THR A 10 87.782 -6.059 -4.984 1.00 0.00 O ATOM 150 CB THR A 10 87.738 -5.410 -8.207 1.00 0.00 C ATOM 151 OG1 THR A 10 87.160 -4.137 -8.425 1.00 0.00 O ATOM 152 CG2 THR A 10 87.800 -6.161 -9.536 1.00 0.00 C ATOM 0 H THR A 10 85.315 -5.628 -8.549 1.00 0.00 H new ATOM 0 HA THR A 10 87.198 -7.224 -7.162 1.00 0.00 H new ATOM 0 HB THR A 10 88.746 -5.305 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.942 -3.725 -7.563 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.417 -5.603 -10.241 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.233 -7.148 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.794 -6.268 -9.941 1.00 0.00 H new ATOM 160 N TRP A 11 86.271 -4.553 -5.496 1.00 0.00 N ATOM 161 CA TRP A 11 86.375 -3.949 -4.131 1.00 0.00 C ATOM 162 C TRP A 11 85.015 -3.967 -3.425 1.00 0.00 C ATOM 163 O TRP A 11 84.941 -4.087 -2.218 1.00 0.00 O ATOM 164 CB TRP A 11 86.870 -2.502 -4.234 1.00 0.00 C ATOM 165 CG TRP A 11 86.564 -1.959 -5.590 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.162 -2.364 -6.723 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.625 -0.913 -5.970 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.633 -1.665 -7.791 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.687 -0.742 -7.374 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.730 -0.113 -5.241 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.891 0.203 -8.027 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.931 0.836 -5.894 1.00 0.00 C ATOM 173 CH2 TRP A 11 84.012 0.994 -7.284 1.00 0.00 C ATOM 0 H TRP A 11 85.605 -4.104 -6.125 1.00 0.00 H new ATOM 0 HA TRP A 11 87.084 -4.540 -3.551 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.392 -1.889 -3.470 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.943 -2.461 -4.049 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.934 -3.117 -6.789 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.904 -1.810 -8.763 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.657 -0.230 -4.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.955 0.321 -9.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.249 1.449 -5.323 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.395 1.728 -7.781 1.00 0.00 H new ATOM 184 N ASN A 12 83.942 -3.831 -4.154 1.00 0.00 N ATOM 185 CA ASN A 12 82.599 -3.816 -3.497 1.00 0.00 C ATOM 186 C ASN A 12 82.092 -5.228 -3.239 1.00 0.00 C ATOM 187 O ASN A 12 82.032 -6.061 -4.122 1.00 0.00 O ATOM 188 CB ASN A 12 81.592 -3.089 -4.385 1.00 0.00 C ATOM 189 CG ASN A 12 80.286 -2.872 -3.613 1.00 0.00 C ATOM 190 OD1 ASN A 12 80.303 -2.556 -2.438 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.147 -3.031 -4.230 1.00 0.00 N ATOM 0 H ASN A 12 83.933 -3.730 -5.169 1.00 0.00 H new ATOM 0 HA ASN A 12 82.705 -3.299 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 12 82.000 -2.130 -4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.401 -3.671 -5.287 1.00 0.00 H new ATOM 0 HD21 ASN A 12 78.271 -2.890 -3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.133 -3.296 -5.215 1.00 0.00 H new ATOM 198 N VAL A 13 81.702 -5.484 -2.023 1.00 0.00 N ATOM 199 CA VAL A 13 81.161 -6.815 -1.659 1.00 0.00 C ATOM 200 C VAL A 13 79.974 -6.615 -0.713 1.00 0.00 C ATOM 201 O VAL A 13 79.718 -7.428 0.146 1.00 0.00 O ATOM 202 CB VAL A 13 82.246 -7.631 -0.961 1.00 0.00 C ATOM 203 CG1 VAL A 13 83.366 -7.947 -1.951 1.00 0.00 C ATOM 204 CG2 VAL A 13 82.821 -6.826 0.204 1.00 0.00 C ATOM 0 H VAL A 13 81.737 -4.813 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 13 80.837 -7.348 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 13 81.813 -8.559 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.140 -8.530 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 13 82.963 -8.520 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.796 -7.017 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.596 -7.409 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.251 -5.898 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.027 -6.596 0.914 1.00 0.00 H new ATOM 214 N GLY A 14 79.264 -5.524 -0.865 1.00 0.00 N ATOM 215 CA GLY A 14 78.090 -5.231 0.021 1.00 0.00 C ATOM 216 C GLY A 14 77.515 -6.522 0.597 1.00 0.00 C ATOM 217 O GLY A 14 77.223 -6.614 1.774 1.00 0.00 O ATOM 0 H GLY A 14 79.449 -4.814 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.396 -4.569 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.322 -4.706 -0.546 1.00 0.00 H new ATOM 221 N SER A 15 77.354 -7.518 -0.224 1.00 0.00 N ATOM 222 CA SER A 15 76.798 -8.808 0.261 1.00 0.00 C ATOM 223 C SER A 15 77.593 -9.258 1.481 1.00 0.00 C ATOM 224 O SER A 15 77.173 -10.112 2.235 1.00 0.00 O ATOM 225 CB SER A 15 76.927 -9.855 -0.846 1.00 0.00 C ATOM 226 OG SER A 15 78.301 -10.183 -1.026 1.00 0.00 O ATOM 0 H SER A 15 77.585 -7.494 -1.217 1.00 0.00 H new ATOM 0 HA SER A 15 75.748 -8.688 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 15 76.359 -10.748 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 15 76.508 -9.471 -1.776 1.00 0.00 H new ATOM 0 HG SER A 15 78.387 -10.855 -1.734 1.00 0.00 H new ATOM 232 N SER A 16 78.746 -8.688 1.667 1.00 0.00 N ATOM 233 CA SER A 16 79.598 -9.069 2.818 1.00 0.00 C ATOM 234 C SER A 16 78.970 -8.579 4.116 1.00 0.00 C ATOM 235 O SER A 16 78.158 -7.674 4.131 1.00 0.00 O ATOM 236 CB SER A 16 80.975 -8.427 2.658 1.00 0.00 C ATOM 237 OG SER A 16 80.846 -7.011 2.747 1.00 0.00 O ATOM 0 H SER A 16 79.138 -7.966 1.063 1.00 0.00 H new ATOM 0 HA SER A 16 79.691 -10.155 2.850 1.00 0.00 H new ATOM 0 HB2 SER A 16 81.651 -8.792 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 16 81.409 -8.705 1.698 1.00 0.00 H new ATOM 0 HG SER A 16 80.295 -6.685 2.005 1.00 0.00 H new ATOM 243 N ASN A 17 79.356 -9.168 5.208 1.00 0.00 N ATOM 244 CA ASN A 17 78.809 -8.752 6.523 1.00 0.00 C ATOM 245 C ASN A 17 79.972 -8.352 7.431 1.00 0.00 C ATOM 246 O ASN A 17 81.115 -8.643 7.144 1.00 0.00 O ATOM 247 CB ASN A 17 78.042 -9.919 7.145 1.00 0.00 C ATOM 248 CG ASN A 17 76.820 -10.237 6.280 1.00 0.00 C ATOM 249 OD1 ASN A 17 76.016 -9.371 5.999 1.00 0.00 O ATOM 250 ND2 ASN A 17 76.647 -11.454 5.844 1.00 0.00 N ATOM 0 H ASN A 17 80.035 -9.928 5.246 1.00 0.00 H new ATOM 0 HA ASN A 17 78.131 -7.907 6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 17 78.687 -10.795 7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 17 77.729 -9.665 8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 17 75.836 -11.679 5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.322 -12.181 6.080 1.00 0.00 H new ATOM 257 N ARG A 18 79.710 -7.683 8.518 1.00 0.00 N ATOM 258 CA ARG A 18 80.835 -7.282 9.403 1.00 0.00 C ATOM 259 C ARG A 18 81.574 -8.534 9.881 1.00 0.00 C ATOM 260 O ARG A 18 82.788 -8.580 9.888 1.00 0.00 O ATOM 261 CB ARG A 18 80.290 -6.503 10.600 1.00 0.00 C ATOM 262 CG ARG A 18 79.816 -5.134 10.117 1.00 0.00 C ATOM 263 CD ARG A 18 79.641 -4.206 11.315 1.00 0.00 C ATOM 264 NE ARG A 18 80.965 -3.961 11.951 1.00 0.00 N ATOM 265 CZ ARG A 18 81.088 -3.014 12.837 1.00 0.00 C ATOM 266 NH1 ARG A 18 80.060 -2.277 13.145 1.00 0.00 N ATOM 267 NH2 ARG A 18 82.236 -2.803 13.419 1.00 0.00 N ATOM 0 H ARG A 18 78.780 -7.400 8.828 1.00 0.00 H new ATOM 0 HA ARG A 18 81.529 -6.646 8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.466 -7.047 11.062 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.063 -6.389 11.360 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.539 -4.712 9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 18 78.873 -5.233 9.579 1.00 0.00 H new ATOM 0 HD2 ARG A 18 79.199 -3.262 10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 18 78.956 -4.651 12.036 1.00 0.00 H new ATOM 0 HE ARG A 18 81.771 -4.531 11.694 1.00 0.00 H new ATOM 0 HH11 ARG A 18 79.161 -2.442 12.693 1.00 0.00 H new ATOM 0 HH12 ARG A 18 80.154 -1.535 13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 18 83.042 -3.381 13.181 1.00 0.00 H new ATOM 0 HH22 ARG A 18 82.328 -2.060 14.112 1.00 0.00 H new ATOM 281 N ASN A 19 80.861 -9.559 10.264 1.00 0.00 N ATOM 282 CA ASN A 19 81.546 -10.803 10.720 1.00 0.00 C ATOM 283 C ASN A 19 82.317 -11.395 9.542 1.00 0.00 C ATOM 284 O ASN A 19 83.447 -11.826 9.669 1.00 0.00 O ATOM 285 CB ASN A 19 80.515 -11.822 11.209 1.00 0.00 C ATOM 286 CG ASN A 19 79.814 -11.299 12.468 1.00 0.00 C ATOM 287 OD1 ASN A 19 80.430 -10.674 13.309 1.00 0.00 O ATOM 288 ND2 ASN A 19 78.538 -11.529 12.630 1.00 0.00 N ATOM 0 H ASN A 19 79.842 -9.589 10.281 1.00 0.00 H new ATOM 0 HA ASN A 19 82.225 -10.566 11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 19 79.780 -12.012 10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 19 81.005 -12.772 11.424 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.059 -11.184 13.462 1.00 0.00 H new ATOM 0 HD22 ASN A 19 78.021 -12.053 11.924 1.00 0.00 H new ATOM 295 N LYS A 20 81.711 -11.411 8.392 1.00 0.00 N ATOM 296 CA LYS A 20 82.404 -11.957 7.201 1.00 0.00 C ATOM 297 C LYS A 20 83.536 -11.004 6.832 1.00 0.00 C ATOM 298 O LYS A 20 84.595 -11.411 6.398 1.00 0.00 O ATOM 299 CB LYS A 20 81.425 -12.081 6.032 1.00 0.00 C ATOM 300 CG LYS A 20 82.142 -12.755 4.858 1.00 0.00 C ATOM 301 CD LYS A 20 81.155 -13.000 3.711 1.00 0.00 C ATOM 302 CE LYS A 20 80.320 -14.244 4.018 1.00 0.00 C ATOM 303 NZ LYS A 20 81.225 -15.403 4.253 1.00 0.00 N ATOM 0 H LYS A 20 80.764 -11.069 8.226 1.00 0.00 H new ATOM 0 HA LYS A 20 82.801 -12.948 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.555 -12.666 6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.062 -11.096 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 20 82.963 -12.127 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.578 -13.700 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 20 80.505 -12.134 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 20 81.695 -13.133 2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 20 79.698 -14.070 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 20 79.647 -14.457 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 80.735 -16.284 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 82.080 -15.299 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 81.492 -15.437 5.258 1.00 0.00 H new ATOM 317 N ALA A 21 83.312 -9.729 7.015 1.00 0.00 N ATOM 318 CA ALA A 21 84.363 -8.730 6.690 1.00 0.00 C ATOM 319 C ALA A 21 85.648 -9.090 7.448 1.00 0.00 C ATOM 320 O ALA A 21 86.727 -9.077 6.891 1.00 0.00 O ATOM 321 CB ALA A 21 83.881 -7.334 7.103 1.00 0.00 C ATOM 0 H ALA A 21 82.442 -9.339 7.377 1.00 0.00 H new ATOM 0 HA ALA A 21 84.564 -8.734 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.650 -6.599 6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 21 82.967 -7.090 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.683 -7.320 8.175 1.00 0.00 H new ATOM 327 N GLU A 22 85.545 -9.431 8.708 1.00 0.00 N ATOM 328 CA GLU A 22 86.767 -9.805 9.474 1.00 0.00 C ATOM 329 C GLU A 22 87.446 -10.972 8.772 1.00 0.00 C ATOM 330 O GLU A 22 88.637 -10.962 8.547 1.00 0.00 O ATOM 331 CB GLU A 22 86.379 -10.240 10.884 1.00 0.00 C ATOM 332 CG GLU A 22 87.646 -10.556 11.677 1.00 0.00 C ATOM 333 CD GLU A 22 87.278 -10.850 13.130 1.00 0.00 C ATOM 334 OE1 GLU A 22 86.100 -10.809 13.439 1.00 0.00 O ATOM 335 OE2 GLU A 22 88.180 -11.114 13.906 1.00 0.00 O ATOM 0 H GLU A 22 84.672 -9.466 9.235 1.00 0.00 H new ATOM 0 HA GLU A 22 87.439 -8.948 9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.813 -9.450 11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 22 85.733 -11.117 10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 22 88.157 -11.414 11.240 1.00 0.00 H new ATOM 0 HG3 GLU A 22 88.337 -9.715 11.629 1.00 0.00 H new ATOM 342 N ASN A 23 86.694 -11.973 8.409 1.00 0.00 N ATOM 343 CA ASN A 23 87.299 -13.133 7.707 1.00 0.00 C ATOM 344 C ASN A 23 87.934 -12.633 6.412 1.00 0.00 C ATOM 345 O ASN A 23 89.041 -12.992 6.068 1.00 0.00 O ATOM 346 CB ASN A 23 86.214 -14.165 7.385 1.00 0.00 C ATOM 347 CG ASN A 23 85.776 -14.869 8.671 1.00 0.00 C ATOM 348 OD1 ASN A 23 84.710 -14.600 9.190 1.00 0.00 O ATOM 349 ND2 ASN A 23 86.556 -15.766 9.209 1.00 0.00 N ATOM 0 H ASN A 23 85.689 -12.036 8.569 1.00 0.00 H new ATOM 0 HA ASN A 23 88.054 -13.602 8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.360 -13.675 6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 23 86.593 -14.895 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 23 86.271 -16.242 10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 23 87.450 -15.991 8.773 1.00 0.00 H new ATOM 356 N LEU A 24 87.243 -11.784 5.703 1.00 0.00 N ATOM 357 CA LEU A 24 87.802 -11.237 4.438 1.00 0.00 C ATOM 358 C LEU A 24 88.992 -10.337 4.774 1.00 0.00 C ATOM 359 O LEU A 24 89.899 -10.172 3.986 1.00 0.00 O ATOM 360 CB LEU A 24 86.726 -10.422 3.715 1.00 0.00 C ATOM 361 CG LEU A 24 85.642 -11.367 3.191 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.480 -10.554 2.610 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.236 -12.261 2.100 1.00 0.00 C ATOM 0 H LEU A 24 86.312 -11.445 5.947 1.00 0.00 H new ATOM 0 HA LEU A 24 88.127 -12.052 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.289 -9.691 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.169 -9.865 2.889 1.00 0.00 H new ATOM 0 HG LEU A 24 85.272 -11.983 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.712 -11.232 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.057 -9.917 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 24 84.844 -9.934 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.467 -12.936 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.606 -11.641 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.059 -12.844 2.515 1.00 0.00 H new ATOM 375 N LEU A 25 88.994 -9.753 5.946 1.00 0.00 N ATOM 376 CA LEU A 25 90.132 -8.863 6.334 1.00 0.00 C ATOM 377 C LEU A 25 91.162 -9.676 7.123 1.00 0.00 C ATOM 378 O LEU A 25 92.221 -9.188 7.469 1.00 0.00 O ATOM 379 CB LEU A 25 89.625 -7.718 7.218 1.00 0.00 C ATOM 380 CG LEU A 25 88.640 -6.842 6.430 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.644 -6.169 7.383 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.422 -5.764 5.675 1.00 0.00 C ATOM 0 H LEU A 25 88.261 -9.853 6.648 1.00 0.00 H new ATOM 0 HA LEU A 25 90.586 -8.452 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 25 89.136 -8.121 8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.465 -7.115 7.563 1.00 0.00 H new ATOM 0 HG LEU A 25 88.090 -7.469 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.952 -5.552 6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.085 -6.933 7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.185 -5.544 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.729 -5.138 5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.972 -5.148 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.123 -6.237 4.987 1.00 0.00 H new ATOM 394 N ARG A 26 90.851 -10.907 7.413 1.00 0.00 N ATOM 395 CA ARG A 26 91.783 -11.767 8.177 1.00 0.00 C ATOM 396 C ARG A 26 92.629 -12.573 7.192 1.00 0.00 C ATOM 397 O ARG A 26 92.112 -13.277 6.348 1.00 0.00 O ATOM 398 CB ARG A 26 90.939 -12.681 9.075 1.00 0.00 C ATOM 399 CG ARG A 26 91.445 -14.120 9.035 1.00 0.00 C ATOM 400 CD ARG A 26 92.886 -14.186 9.546 1.00 0.00 C ATOM 401 NE ARG A 26 93.655 -15.184 8.736 1.00 0.00 N ATOM 402 CZ ARG A 26 93.125 -16.341 8.429 1.00 0.00 C ATOM 403 NH1 ARG A 26 91.981 -16.698 8.945 1.00 0.00 N ATOM 404 NH2 ARG A 26 93.755 -17.164 7.639 1.00 0.00 N ATOM 0 H ARG A 26 89.975 -11.357 7.147 1.00 0.00 H new ATOM 0 HA ARG A 26 92.460 -11.181 8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.966 -12.312 10.100 1.00 0.00 H new ATOM 0 HB3 ARG A 26 89.898 -12.650 8.753 1.00 0.00 H new ATOM 0 HG2 ARG A 26 90.805 -14.756 9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 26 91.395 -14.503 8.016 1.00 0.00 H new ATOM 0 HD2 ARG A 26 93.354 -13.204 9.474 1.00 0.00 H new ATOM 0 HD3 ARG A 26 92.898 -14.469 10.599 1.00 0.00 H new ATOM 0 HE ARG A 26 94.599 -14.960 8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 26 91.496 -16.075 9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 26 91.572 -17.600 8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 26 94.665 -16.908 7.257 1.00 0.00 H new ATOM 0 HH22 ARG A 26 93.338 -18.064 7.403 1.00 0.00 H new ATOM 418 N GLY A 27 93.924 -12.470 7.285 1.00 0.00 N ATOM 419 CA GLY A 27 94.794 -13.228 6.345 1.00 0.00 C ATOM 420 C GLY A 27 95.058 -12.394 5.089 1.00 0.00 C ATOM 421 O GLY A 27 95.684 -12.853 4.154 1.00 0.00 O ATOM 0 H GLY A 27 94.417 -11.896 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.737 -13.478 6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.316 -14.169 6.073 1.00 0.00 H new ATOM 425 N LYS A 28 94.593 -11.171 5.056 1.00 0.00 N ATOM 426 CA LYS A 28 94.828 -10.317 3.858 1.00 0.00 C ATOM 427 C LYS A 28 95.990 -9.362 4.123 1.00 0.00 C ATOM 428 O LYS A 28 96.082 -8.746 5.166 1.00 0.00 O ATOM 429 CB LYS A 28 93.566 -9.513 3.533 1.00 0.00 C ATOM 430 CG LYS A 28 92.507 -10.448 2.953 1.00 0.00 C ATOM 431 CD LYS A 28 93.039 -11.099 1.677 1.00 0.00 C ATOM 432 CE LYS A 28 91.905 -11.213 0.659 1.00 0.00 C ATOM 433 NZ LYS A 28 90.851 -12.128 1.183 1.00 0.00 N ATOM 0 H LYS A 28 94.062 -10.730 5.807 1.00 0.00 H new ATOM 0 HA LYS A 28 95.073 -10.957 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.187 -9.030 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.799 -8.722 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.246 -11.215 3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.596 -9.891 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.855 -10.505 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 28 93.444 -12.086 1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 28 91.480 -10.229 0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 28 92.290 -11.590 -0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.186 -12.365 0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 91.293 -12.999 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 90.337 -11.659 1.956 1.00 0.00 H new ATOM 447 N ARG A 29 96.880 -9.240 3.179 1.00 0.00 N ATOM 448 CA ARG A 29 98.047 -8.328 3.361 1.00 0.00 C ATOM 449 C ARG A 29 97.572 -6.875 3.334 1.00 0.00 C ATOM 450 O ARG A 29 96.507 -6.565 2.839 1.00 0.00 O ATOM 451 CB ARG A 29 99.065 -8.544 2.238 1.00 0.00 C ATOM 452 CG ARG A 29 99.674 -9.946 2.344 1.00 0.00 C ATOM 453 CD ARG A 29 100.515 -10.229 1.095 1.00 0.00 C ATOM 454 NE ARG A 29 101.684 -9.308 1.047 1.00 0.00 N ATOM 455 CZ ARG A 29 102.703 -9.596 0.283 1.00 0.00 C ATOM 456 NH1 ARG A 29 102.724 -10.718 -0.380 1.00 0.00 N ATOM 457 NH2 ARG A 29 103.707 -8.769 0.186 1.00 0.00 N ATOM 0 H ARG A 29 96.851 -9.733 2.286 1.00 0.00 H new ATOM 0 HA ARG A 29 98.517 -8.546 4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.581 -8.421 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.851 -7.792 2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 29 100.294 -10.019 3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.885 -10.691 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.857 -11.264 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 29 99.906 -10.103 0.200 1.00 0.00 H new ATOM 0 HE ARG A 29 101.689 -8.456 1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.944 -11.371 -0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 29 103.520 -10.943 -0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 29 103.698 -7.893 0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 29 104.501 -8.998 -0.412 1.00 0.00 H new ATOM 471 N ASP A 30 98.361 -5.986 3.871 1.00 0.00 N ATOM 472 CA ASP A 30 97.974 -4.549 3.894 1.00 0.00 C ATOM 473 C ASP A 30 97.776 -4.038 2.470 1.00 0.00 C ATOM 474 O ASP A 30 98.421 -4.480 1.538 1.00 0.00 O ATOM 475 CB ASP A 30 99.065 -3.746 4.592 1.00 0.00 C ATOM 476 CG ASP A 30 99.063 -4.110 6.077 1.00 0.00 C ATOM 477 OD1 ASP A 30 98.020 -4.513 6.567 1.00 0.00 O ATOM 478 OD2 ASP A 30 100.103 -3.985 6.697 1.00 0.00 O ATOM 0 H ASP A 30 99.263 -6.196 4.298 1.00 0.00 H new ATOM 0 HA ASP A 30 97.036 -4.434 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 30 100.037 -3.965 4.150 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.889 -2.678 4.464 1.00 0.00 H new ATOM 483 N GLY A 31 96.872 -3.121 2.297 1.00 0.00 N ATOM 484 CA GLY A 31 96.606 -2.587 0.936 1.00 0.00 C ATOM 485 C GLY A 31 95.347 -3.256 0.382 1.00 0.00 C ATOM 486 O GLY A 31 94.684 -2.724 -0.486 1.00 0.00 O ATOM 0 H GLY A 31 96.304 -2.716 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.473 -1.506 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.456 -2.781 0.282 1.00 0.00 H new ATOM 490 N THR A 32 95.003 -4.416 0.887 1.00 0.00 N ATOM 491 CA THR A 32 93.781 -5.105 0.391 1.00 0.00 C ATOM 492 C THR A 32 92.563 -4.506 1.084 1.00 0.00 C ATOM 493 O THR A 32 92.395 -4.629 2.282 1.00 0.00 O ATOM 494 CB THR A 32 93.864 -6.605 0.700 1.00 0.00 C ATOM 495 OG1 THR A 32 95.048 -7.146 0.125 1.00 0.00 O ATOM 496 CG2 THR A 32 92.639 -7.306 0.119 1.00 0.00 C ATOM 0 H THR A 32 95.516 -4.910 1.618 1.00 0.00 H new ATOM 0 HA THR A 32 93.698 -4.972 -0.688 1.00 0.00 H new ATOM 0 HB THR A 32 93.891 -6.757 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.772 -7.124 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.693 -8.373 0.336 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.736 -6.890 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.612 -7.156 -0.960 1.00 0.00 H new ATOM 504 N PHE A 33 91.711 -3.848 0.348 1.00 0.00 N ATOM 505 CA PHE A 33 90.520 -3.242 0.994 1.00 0.00 C ATOM 506 C PHE A 33 89.259 -3.586 0.199 1.00 0.00 C ATOM 507 O PHE A 33 89.316 -4.113 -0.895 1.00 0.00 O ATOM 508 CB PHE A 33 90.687 -1.713 1.073 1.00 0.00 C ATOM 509 CG PHE A 33 89.809 -1.054 0.046 1.00 0.00 C ATOM 510 CD1 PHE A 33 88.502 -0.724 0.390 1.00 0.00 C ATOM 511 CD2 PHE A 33 90.286 -0.791 -1.241 1.00 0.00 C ATOM 512 CE1 PHE A 33 87.662 -0.130 -0.548 1.00 0.00 C ATOM 513 CE2 PHE A 33 89.439 -0.197 -2.184 1.00 0.00 C ATOM 514 CZ PHE A 33 88.125 0.131 -1.832 1.00 0.00 C ATOM 0 H PHE A 33 91.788 -3.706 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 33 90.423 -3.643 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.425 -1.360 2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.729 -1.442 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 33 88.138 -0.929 1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 33 91.302 -1.044 -1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 33 86.649 0.128 -0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 33 89.799 0.008 -3.181 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.470 0.588 -2.559 1.00 0.00 H new ATOM 524 N LEU A 34 88.119 -3.283 0.751 1.00 0.00 N ATOM 525 CA LEU A 34 86.844 -3.583 0.037 1.00 0.00 C ATOM 526 C LEU A 34 85.782 -2.531 0.368 1.00 0.00 C ATOM 527 O LEU A 34 85.835 -1.876 1.390 1.00 0.00 O ATOM 528 CB LEU A 34 86.345 -4.955 0.481 1.00 0.00 C ATOM 529 CG LEU A 34 86.107 -4.932 1.988 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.606 -4.857 2.268 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.685 -6.204 2.611 1.00 0.00 C ATOM 0 H LEU A 34 88.013 -2.841 1.664 1.00 0.00 H new ATOM 0 HA LEU A 34 87.025 -3.571 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.423 -5.208 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 34 87.076 -5.722 0.227 1.00 0.00 H new ATOM 0 HG LEU A 34 86.597 -4.060 2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.437 -4.841 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 34 84.198 -3.950 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.111 -5.727 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.517 -6.191 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.195 -7.076 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.756 -6.253 2.412 1.00 0.00 H new ATOM 543 N VAL A 35 84.796 -2.385 -0.479 1.00 0.00 N ATOM 544 CA VAL A 35 83.720 -1.400 -0.197 1.00 0.00 C ATOM 545 C VAL A 35 82.482 -2.159 0.276 1.00 0.00 C ATOM 546 O VAL A 35 82.038 -3.101 -0.350 1.00 0.00 O ATOM 547 CB VAL A 35 83.393 -0.586 -1.459 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.104 0.210 -1.242 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.529 0.394 -1.735 1.00 0.00 C ATOM 0 H VAL A 35 84.693 -2.905 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 35 84.050 -0.705 0.576 1.00 0.00 H new ATOM 0 HB VAL A 35 83.269 -1.267 -2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.876 0.785 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.283 -0.476 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.233 0.889 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.301 0.973 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.643 1.068 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.457 -0.158 -1.887 1.00 0.00 H new ATOM 559 N ARG A 36 81.929 -1.765 1.388 1.00 0.00 N ATOM 560 CA ARG A 36 80.727 -2.467 1.918 1.00 0.00 C ATOM 561 C ARG A 36 79.805 -1.441 2.569 1.00 0.00 C ATOM 562 O ARG A 36 80.156 -0.286 2.701 1.00 0.00 O ATOM 563 CB ARG A 36 81.151 -3.512 2.958 1.00 0.00 C ATOM 564 CG ARG A 36 81.795 -2.823 4.172 1.00 0.00 C ATOM 565 CD ARG A 36 82.244 -3.883 5.185 1.00 0.00 C ATOM 566 NE ARG A 36 81.779 -3.506 6.559 1.00 0.00 N ATOM 567 CZ ARG A 36 81.901 -2.278 6.995 1.00 0.00 C ATOM 568 NH1 ARG A 36 82.478 -1.375 6.259 1.00 0.00 N ATOM 569 NH2 ARG A 36 81.461 -1.954 8.179 1.00 0.00 N ATOM 0 H ARG A 36 82.259 -0.984 1.955 1.00 0.00 H new ATOM 0 HA ARG A 36 80.206 -2.970 1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 36 80.284 -4.091 3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.856 -4.214 2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 36 82.649 -2.225 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 36 81.083 -2.140 4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 36 81.839 -4.857 4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 36 83.330 -3.974 5.172 1.00 0.00 H new ATOM 0 HE ARG A 36 81.362 -4.215 7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 36 82.838 -1.622 5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.571 -0.419 6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 36 81.020 -2.659 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 36 81.558 -0.996 8.515 1.00 0.00 H new ATOM 583 N GLU A 37 78.633 -1.837 2.990 1.00 0.00 N ATOM 584 CA GLU A 37 77.725 -0.864 3.633 1.00 0.00 C ATOM 585 C GLU A 37 77.688 -1.156 5.125 1.00 0.00 C ATOM 586 O GLU A 37 78.082 -2.218 5.564 1.00 0.00 O ATOM 587 CB GLU A 37 76.319 -0.999 3.028 1.00 0.00 C ATOM 588 CG GLU A 37 75.285 -0.392 3.974 1.00 0.00 C ATOM 589 CD GLU A 37 74.006 -0.067 3.192 1.00 0.00 C ATOM 590 OE1 GLU A 37 74.018 0.896 2.443 1.00 0.00 O ATOM 591 OE2 GLU A 37 73.036 -0.786 3.360 1.00 0.00 O ATOM 0 H GLU A 37 78.273 -2.788 2.914 1.00 0.00 H new ATOM 0 HA GLU A 37 78.078 0.154 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 37 76.280 -0.496 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.090 -2.050 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.063 -1.089 4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.683 0.513 4.433 1.00 0.00 H new ATOM 677 N TYR A 44 77.237 3.559 3.638 1.00 0.00 N ATOM 678 CA TYR A 44 78.409 3.012 2.889 1.00 0.00 C ATOM 679 C TYR A 44 79.625 2.914 3.820 1.00 0.00 C ATOM 680 O TYR A 44 79.755 3.671 4.759 1.00 0.00 O ATOM 681 CB TYR A 44 78.738 3.947 1.715 1.00 0.00 C ATOM 682 CG TYR A 44 77.631 3.879 0.687 1.00 0.00 C ATOM 683 CD1 TYR A 44 77.674 2.919 -0.334 1.00 0.00 C ATOM 684 CD2 TYR A 44 76.556 4.771 0.762 1.00 0.00 C ATOM 685 CE1 TYR A 44 76.639 2.856 -1.280 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.526 4.709 -0.182 1.00 0.00 C ATOM 687 CZ TYR A 44 75.563 3.753 -1.201 1.00 0.00 C ATOM 688 OH TYR A 44 74.542 3.700 -2.126 1.00 0.00 O ATOM 0 HA TYR A 44 78.166 2.018 2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.853 4.970 2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.687 3.659 1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 44 78.503 2.229 -0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 44 76.521 5.509 1.550 1.00 0.00 H new ATOM 0 HE1 TYR A 44 76.671 2.118 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 44 74.700 5.402 -0.123 1.00 0.00 H new ATOM 0 HH TYR A 44 73.879 4.392 -1.921 1.00 0.00 H new ATOM 698 N ALA A 45 80.526 1.995 3.567 1.00 0.00 N ATOM 699 CA ALA A 45 81.735 1.879 4.437 1.00 0.00 C ATOM 700 C ALA A 45 82.809 1.068 3.714 1.00 0.00 C ATOM 701 O ALA A 45 82.542 0.025 3.153 1.00 0.00 O ATOM 702 CB ALA A 45 81.384 1.198 5.764 1.00 0.00 C ATOM 0 H ALA A 45 80.476 1.325 2.800 1.00 0.00 H new ATOM 0 HA ALA A 45 82.109 2.881 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.278 1.124 6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.630 1.786 6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.994 0.199 5.568 1.00 0.00 H new ATOM 708 N CYS A 46 84.025 1.540 3.730 1.00 0.00 N ATOM 709 CA CYS A 46 85.122 0.800 3.050 1.00 0.00 C ATOM 710 C CYS A 46 86.028 0.185 4.108 1.00 0.00 C ATOM 711 O CYS A 46 86.441 0.838 5.043 1.00 0.00 O ATOM 712 CB CYS A 46 85.925 1.763 2.172 1.00 0.00 C ATOM 713 SG CYS A 46 84.802 2.589 1.021 1.00 0.00 S ATOM 0 H CYS A 46 84.306 2.408 4.186 1.00 0.00 H new ATOM 0 HA CYS A 46 84.706 0.013 2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.437 2.499 2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.694 1.219 1.623 1.00 0.00 H new ATOM 0 HG CYS A 46 85.475 3.411 0.272 1.00 0.00 H new ATOM 719 N SER A 47 86.326 -1.070 3.982 1.00 0.00 N ATOM 720 CA SER A 47 87.189 -1.722 5.003 1.00 0.00 C ATOM 721 C SER A 47 88.574 -2.003 4.414 1.00 0.00 C ATOM 722 O SER A 47 88.706 -2.478 3.303 1.00 0.00 O ATOM 723 CB SER A 47 86.526 -3.021 5.461 1.00 0.00 C ATOM 724 OG SER A 47 87.298 -3.608 6.504 1.00 0.00 O ATOM 0 H SER A 47 86.013 -1.674 3.222 1.00 0.00 H new ATOM 0 HA SER A 47 87.311 -1.061 5.861 1.00 0.00 H new ATOM 0 HB2 SER A 47 85.514 -2.821 5.812 1.00 0.00 H new ATOM 0 HB3 SER A 47 86.441 -3.713 4.623 1.00 0.00 H new ATOM 0 HG SER A 47 86.899 -3.385 7.371 1.00 0.00 H new ATOM 730 N VAL A 48 89.611 -1.695 5.146 1.00 0.00 N ATOM 731 CA VAL A 48 90.984 -1.928 4.625 1.00 0.00 C ATOM 732 C VAL A 48 91.843 -2.604 5.685 1.00 0.00 C ATOM 733 O VAL A 48 91.486 -2.677 6.843 1.00 0.00 O ATOM 734 CB VAL A 48 91.626 -0.596 4.261 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.946 0.178 5.541 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.917 -0.856 3.482 1.00 0.00 C ATOM 0 H VAL A 48 89.564 -1.292 6.082 1.00 0.00 H new ATOM 0 HA VAL A 48 90.916 -2.568 3.745 1.00 0.00 H new ATOM 0 HB VAL A 48 90.941 -0.012 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.406 1.132 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 48 91.026 0.357 6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.634 -0.403 6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.381 0.095 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.603 -1.436 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.688 -1.412 2.573 1.00 0.00 H new ATOM 746 N VAL A 49 92.983 -3.088 5.292 1.00 0.00 N ATOM 747 CA VAL A 49 93.887 -3.756 6.272 1.00 0.00 C ATOM 748 C VAL A 49 95.233 -3.035 6.304 1.00 0.00 C ATOM 749 O VAL A 49 95.805 -2.729 5.276 1.00 0.00 O ATOM 750 CB VAL A 49 94.107 -5.208 5.861 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.934 -5.924 6.929 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.758 -5.904 5.709 1.00 0.00 C ATOM 0 H VAL A 49 93.332 -3.052 4.334 1.00 0.00 H new ATOM 0 HA VAL A 49 93.429 -3.721 7.261 1.00 0.00 H new ATOM 0 HB VAL A 49 94.640 -5.238 4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.090 -6.961 6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.899 -5.428 7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.404 -5.894 7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.915 -6.942 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.223 -5.873 6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.170 -5.396 4.945 1.00 0.00 H new ATOM 762 N VAL A 50 95.749 -2.759 7.469 1.00 0.00 N ATOM 763 CA VAL A 50 97.060 -2.059 7.539 1.00 0.00 C ATOM 764 C VAL A 50 98.025 -2.841 8.445 1.00 0.00 C ATOM 765 O VAL A 50 97.618 -3.655 9.254 1.00 0.00 O ATOM 766 CB VAL A 50 96.851 -0.652 8.096 1.00 0.00 C ATOM 767 CG1 VAL A 50 96.477 -0.747 9.566 1.00 0.00 C ATOM 768 CG2 VAL A 50 98.139 0.156 7.952 1.00 0.00 C ATOM 0 H VAL A 50 95.324 -2.986 8.368 1.00 0.00 H new ATOM 0 HA VAL A 50 97.490 -1.995 6.540 1.00 0.00 H new ATOM 0 HB VAL A 50 96.052 -0.158 7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 50 96.327 0.255 9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 50 95.557 -1.322 9.671 1.00 0.00 H new ATOM 0 HG13 VAL A 50 97.279 -1.242 10.114 1.00 0.00 H new ATOM 0 HG21 VAL A 50 97.986 1.159 8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 50 98.940 -0.335 8.504 1.00 0.00 H new ATOM 0 HG23 VAL A 50 98.411 0.222 6.899 1.00 0.00 H new ATOM 778 N ASP A 51 99.302 -2.593 8.301 1.00 0.00 N ATOM 779 CA ASP A 51 100.330 -3.305 9.126 1.00 0.00 C ATOM 780 C ASP A 51 99.960 -3.233 10.594 1.00 0.00 C ATOM 781 O ASP A 51 100.415 -4.013 11.406 1.00 0.00 O ATOM 782 CB ASP A 51 101.701 -2.655 8.907 1.00 0.00 C ATOM 783 CG ASP A 51 102.194 -2.973 7.495 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.250 -4.145 7.161 1.00 0.00 O ATOM 785 OD2 ASP A 51 102.515 -2.043 6.775 1.00 0.00 O ATOM 0 H ASP A 51 99.683 -1.918 7.638 1.00 0.00 H new ATOM 0 HA ASP A 51 100.370 -4.351 8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.630 -1.576 9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 51 102.413 -3.025 9.645 1.00 0.00 H new ATOM 790 N GLY A 52 99.143 -2.301 10.935 1.00 0.00 N ATOM 791 CA GLY A 52 98.728 -2.160 12.353 1.00 0.00 C ATOM 792 C GLY A 52 97.574 -3.109 12.649 1.00 0.00 C ATOM 793 O GLY A 52 97.656 -3.947 13.526 1.00 0.00 O ATOM 0 H GLY A 52 98.736 -1.620 10.294 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.569 -2.379 13.011 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.426 -1.132 12.553 1.00 0.00 H new ATOM 797 N GLU A 53 96.489 -2.976 11.939 1.00 0.00 N ATOM 798 CA GLU A 53 95.332 -3.872 12.206 1.00 0.00 C ATOM 799 C GLU A 53 94.291 -3.786 11.086 1.00 0.00 C ATOM 800 O GLU A 53 94.531 -3.256 10.022 1.00 0.00 O ATOM 801 CB GLU A 53 94.689 -3.473 13.533 1.00 0.00 C ATOM 802 CG GLU A 53 94.724 -4.673 14.474 1.00 0.00 C ATOM 803 CD GLU A 53 93.842 -4.416 15.696 1.00 0.00 C ATOM 804 OE1 GLU A 53 93.652 -3.258 16.032 1.00 0.00 O ATOM 805 OE2 GLU A 53 93.377 -5.383 16.277 1.00 0.00 O ATOM 0 H GLU A 53 96.354 -2.293 11.193 1.00 0.00 H new ATOM 0 HA GLU A 53 95.693 -4.900 12.253 1.00 0.00 H new ATOM 0 HB2 GLU A 53 95.223 -2.631 13.974 1.00 0.00 H new ATOM 0 HB3 GLU A 53 93.661 -3.149 13.372 1.00 0.00 H new ATOM 0 HG2 GLU A 53 94.380 -5.565 13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 53 95.749 -4.865 14.791 1.00 0.00 H new ATOM 812 N VAL A 54 93.115 -4.288 11.355 1.00 0.00 N ATOM 813 CA VAL A 54 92.009 -4.234 10.358 1.00 0.00 C ATOM 814 C VAL A 54 91.109 -3.030 10.694 1.00 0.00 C ATOM 815 O VAL A 54 90.613 -2.912 11.798 1.00 0.00 O ATOM 816 CB VAL A 54 91.200 -5.537 10.450 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.981 -5.466 9.532 1.00 0.00 C ATOM 818 CG2 VAL A 54 92.076 -6.720 10.026 1.00 0.00 C ATOM 0 H VAL A 54 92.872 -4.740 12.237 1.00 0.00 H new ATOM 0 HA VAL A 54 92.402 -4.124 9.347 1.00 0.00 H new ATOM 0 HB VAL A 54 90.870 -5.671 11.480 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.415 -6.395 9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.348 -4.631 9.832 1.00 0.00 H new ATOM 0 HG13 VAL A 54 90.309 -5.321 8.503 1.00 0.00 H new ATOM 0 HG21 VAL A 54 91.499 -7.642 10.093 1.00 0.00 H new ATOM 0 HG22 VAL A 54 92.411 -6.575 8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.942 -6.786 10.684 1.00 0.00 H new ATOM 828 N LYS A 55 90.900 -2.124 9.772 1.00 0.00 N ATOM 829 CA LYS A 55 90.041 -0.944 10.091 1.00 0.00 C ATOM 830 C LYS A 55 88.817 -0.898 9.180 1.00 0.00 C ATOM 831 O LYS A 55 88.840 -1.361 8.056 1.00 0.00 O ATOM 832 CB LYS A 55 90.840 0.346 9.905 1.00 0.00 C ATOM 833 CG LYS A 55 91.839 0.493 11.049 1.00 0.00 C ATOM 834 CD LYS A 55 93.113 -0.288 10.730 1.00 0.00 C ATOM 835 CE LYS A 55 94.087 -0.146 11.904 1.00 0.00 C ATOM 836 NZ LYS A 55 95.226 -1.082 11.732 1.00 0.00 N ATOM 0 H LYS A 55 91.281 -2.149 8.826 1.00 0.00 H new ATOM 0 HA LYS A 55 89.712 -1.037 11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.365 0.327 8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.167 1.203 9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.076 1.546 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.400 0.126 11.977 1.00 0.00 H new ATOM 0 HD2 LYS A 55 92.879 -1.339 10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.568 0.090 9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.453 0.879 11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 55 93.572 -0.354 12.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 95.313 -1.682 12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 95.061 -1.680 10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 96.104 -0.540 11.601 1.00 0.00 H new ATOM 850 N HIS A 56 87.754 -0.313 9.663 1.00 0.00 N ATOM 851 CA HIS A 56 86.517 -0.191 8.843 1.00 0.00 C ATOM 852 C HIS A 56 86.252 1.294 8.573 1.00 0.00 C ATOM 853 O HIS A 56 85.938 2.047 9.475 1.00 0.00 O ATOM 854 CB HIS A 56 85.318 -0.766 9.606 1.00 0.00 C ATOM 855 CG HIS A 56 85.475 -2.248 9.824 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.646 -3.146 8.781 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.452 -3.005 10.967 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.715 -4.380 9.318 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.602 -4.348 10.647 1.00 0.00 N ATOM 0 H HIS A 56 87.691 0.088 10.599 1.00 0.00 H new ATOM 0 HA HIS A 56 86.650 -0.739 7.910 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.219 -0.262 10.568 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.401 -0.572 9.049 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.335 -2.615 11.967 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.846 -5.285 8.743 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.622 -5.140 11.290 1.00 0.00 H new ATOM 867 N CYS A 57 86.366 1.724 7.344 1.00 0.00 N ATOM 868 CA CYS A 57 86.107 3.160 7.028 1.00 0.00 C ATOM 869 C CYS A 57 84.622 3.331 6.734 1.00 0.00 C ATOM 870 O CYS A 57 84.064 2.654 5.897 1.00 0.00 O ATOM 871 CB CYS A 57 86.930 3.568 5.798 1.00 0.00 C ATOM 872 SG CYS A 57 86.762 5.348 5.509 1.00 0.00 S ATOM 0 H CYS A 57 86.627 1.144 6.546 1.00 0.00 H new ATOM 0 HA CYS A 57 86.393 3.789 7.871 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.979 3.313 5.950 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.591 3.015 4.922 1.00 0.00 H new ATOM 0 HG CYS A 57 87.463 5.687 4.468 1.00 0.00 H new ATOM 878 N VAL A 58 83.968 4.211 7.429 1.00 0.00 N ATOM 879 CA VAL A 58 82.513 4.386 7.193 1.00 0.00 C ATOM 880 C VAL A 58 82.245 5.617 6.327 1.00 0.00 C ATOM 881 O VAL A 58 82.601 6.726 6.670 1.00 0.00 O ATOM 882 CB VAL A 58 81.815 4.550 8.535 1.00 0.00 C ATOM 883 CG1 VAL A 58 82.056 5.962 9.053 1.00 0.00 C ATOM 884 CG2 VAL A 58 80.311 4.320 8.367 1.00 0.00 C ATOM 0 H VAL A 58 84.373 4.813 8.146 1.00 0.00 H new ATOM 0 HA VAL A 58 82.131 3.509 6.670 1.00 0.00 H new ATOM 0 HB VAL A 58 82.212 3.823 9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 58 81.558 6.087 10.015 1.00 0.00 H new ATOM 0 HG12 VAL A 58 83.127 6.127 9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 58 81.656 6.684 8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 58 79.815 4.438 9.330 1.00 0.00 H new ATOM 0 HG22 VAL A 58 79.909 5.046 7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.137 3.312 7.991 1.00 0.00 H new ATOM 894 N ILE A 59 81.592 5.426 5.220 1.00 0.00 N ATOM 895 CA ILE A 59 81.261 6.570 4.336 1.00 0.00 C ATOM 896 C ILE A 59 79.730 6.686 4.280 1.00 0.00 C ATOM 897 O ILE A 59 79.038 5.690 4.211 1.00 0.00 O ATOM 898 CB ILE A 59 81.828 6.312 2.938 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.354 6.188 3.009 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.467 7.479 2.025 1.00 0.00 C ATOM 901 CD1 ILE A 59 83.875 5.626 1.683 1.00 0.00 C ATOM 0 H ILE A 59 81.271 4.517 4.887 1.00 0.00 H new ATOM 0 HA ILE A 59 81.693 7.496 4.715 1.00 0.00 H new ATOM 0 HB ILE A 59 81.406 5.386 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.801 7.162 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.640 5.534 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.869 7.299 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.383 7.574 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 59 81.891 8.400 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.960 5.536 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.436 4.644 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.600 6.298 0.870 1.00 0.00 H new ATOM 913 N ASN A 60 79.182 7.876 4.340 1.00 0.00 N ATOM 914 CA ASN A 60 77.688 7.988 4.317 1.00 0.00 C ATOM 915 C ASN A 60 77.218 9.064 3.322 1.00 0.00 C ATOM 916 O ASN A 60 77.848 10.094 3.149 1.00 0.00 O ATOM 917 CB ASN A 60 77.189 8.341 5.722 1.00 0.00 C ATOM 918 CG ASN A 60 75.672 8.152 5.782 1.00 0.00 C ATOM 919 OD1 ASN A 60 75.092 7.529 4.916 1.00 0.00 O ATOM 920 ND2 ASN A 60 74.998 8.666 6.772 1.00 0.00 N ATOM 0 H ASN A 60 79.691 8.758 4.403 1.00 0.00 H new ATOM 0 HA ASN A 60 77.278 7.030 3.997 1.00 0.00 H new ATOM 0 HB2 ASN A 60 77.676 7.707 6.463 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.449 9.372 5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 60 73.986 8.544 6.818 1.00 0.00 H new ATOM 0 HD22 ASN A 60 75.482 9.190 7.501 1.00 0.00 H new ATOM 1167 N SER A 77 82.727 11.319 -6.393 1.00 0.00 N ATOM 1168 CA SER A 77 81.903 10.086 -6.606 1.00 0.00 C ATOM 1169 C SER A 77 82.621 8.861 -6.031 1.00 0.00 C ATOM 1170 O SER A 77 83.796 8.902 -5.724 1.00 0.00 O ATOM 1171 CB SER A 77 81.674 9.874 -8.102 1.00 0.00 C ATOM 1172 OG SER A 77 82.928 9.701 -8.744 1.00 0.00 O ATOM 0 HA SER A 77 80.947 10.213 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 77 81.044 9.000 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.149 10.729 -8.527 1.00 0.00 H new ATOM 0 HG SER A 77 82.787 9.554 -9.703 1.00 0.00 H new ATOM 1178 N LEU A 78 81.914 7.769 -5.881 1.00 0.00 N ATOM 1179 CA LEU A 78 82.542 6.534 -5.322 1.00 0.00 C ATOM 1180 C LEU A 78 83.673 6.033 -6.235 1.00 0.00 C ATOM 1181 O LEU A 78 84.728 5.657 -5.769 1.00 0.00 O ATOM 1182 CB LEU A 78 81.483 5.436 -5.190 1.00 0.00 C ATOM 1183 CG LEU A 78 80.492 5.793 -4.081 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.393 4.733 -4.031 1.00 0.00 C ATOM 1185 CD2 LEU A 78 81.222 5.843 -2.732 1.00 0.00 C ATOM 0 H LEU A 78 80.927 7.680 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 78 82.959 6.774 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.954 5.314 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.962 4.483 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 78 80.051 6.769 -4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.683 4.982 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.874 4.701 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.836 3.759 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 78 80.513 6.098 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.664 4.869 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 78 82.008 6.598 -2.771 1.00 0.00 H new ATOM 1197 N LYS A 79 83.468 6.015 -7.527 1.00 0.00 N ATOM 1198 CA LYS A 79 84.547 5.529 -8.439 1.00 0.00 C ATOM 1199 C LYS A 79 85.770 6.425 -8.271 1.00 0.00 C ATOM 1200 O LYS A 79 86.895 5.973 -8.257 1.00 0.00 O ATOM 1201 CB LYS A 79 84.057 5.571 -9.889 1.00 0.00 C ATOM 1202 CG LYS A 79 85.079 4.885 -10.803 1.00 0.00 C ATOM 1203 CD LYS A 79 84.515 4.793 -12.222 1.00 0.00 C ATOM 1204 CE LYS A 79 84.790 3.400 -12.793 1.00 0.00 C ATOM 1205 NZ LYS A 79 84.296 3.337 -14.197 1.00 0.00 N ATOM 0 H LYS A 79 82.608 6.313 -7.987 1.00 0.00 H new ATOM 0 HA LYS A 79 84.810 4.501 -8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 79 83.091 5.073 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 79 83.911 6.604 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 79 86.013 5.447 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 79 85.308 3.888 -10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 79 83.443 4.988 -12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 79 84.971 5.554 -12.856 1.00 0.00 H new ATOM 0 HE2 LYS A 79 85.858 3.186 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 79 84.295 2.642 -12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 84.481 2.391 -14.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 83.273 3.524 -14.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 84.788 4.051 -14.771 1.00 0.00 H new ATOM 1219 N GLU A 80 85.556 7.695 -8.135 1.00 0.00 N ATOM 1220 CA GLU A 80 86.699 8.623 -7.945 1.00 0.00 C ATOM 1221 C GLU A 80 87.252 8.461 -6.538 1.00 0.00 C ATOM 1222 O GLU A 80 88.446 8.505 -6.312 1.00 0.00 O ATOM 1223 CB GLU A 80 86.220 10.059 -8.112 1.00 0.00 C ATOM 1224 CG GLU A 80 86.117 10.392 -9.590 1.00 0.00 C ATOM 1225 CD GLU A 80 85.177 9.399 -10.274 1.00 0.00 C ATOM 1226 OE1 GLU A 80 85.548 8.243 -10.390 1.00 0.00 O ATOM 1227 OE2 GLU A 80 84.102 9.814 -10.673 1.00 0.00 O ATOM 0 H GLU A 80 84.636 8.135 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 80 87.470 8.397 -8.681 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.250 10.188 -7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 80 86.912 10.743 -7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 80 85.745 11.409 -9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 80 87.103 10.352 -10.052 1.00 0.00 H new ATOM 1234 N LEU A 81 86.381 8.304 -5.589 1.00 0.00 N ATOM 1235 CA LEU A 81 86.821 8.174 -4.180 1.00 0.00 C ATOM 1236 C LEU A 81 87.735 6.966 -4.013 1.00 0.00 C ATOM 1237 O LEU A 81 88.802 7.062 -3.442 1.00 0.00 O ATOM 1238 CB LEU A 81 85.588 8.002 -3.311 1.00 0.00 C ATOM 1239 CG LEU A 81 86.003 7.969 -1.839 1.00 0.00 C ATOM 1240 CD1 LEU A 81 85.435 9.196 -1.125 1.00 0.00 C ATOM 1241 CD2 LEU A 81 85.469 6.693 -1.182 1.00 0.00 C ATOM 0 H LEU A 81 85.372 8.260 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 81 87.376 9.065 -3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.890 8.821 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.070 7.080 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 81 87.091 7.979 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 81 85.729 9.175 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 81 85.823 10.101 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 81 84.347 9.188 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 81 85.766 6.672 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 81 84.381 6.676 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 81 85.879 5.822 -1.693 1.00 0.00 H new ATOM 1253 N VAL A 82 87.339 5.828 -4.502 1.00 0.00 N ATOM 1254 CA VAL A 82 88.208 4.633 -4.355 1.00 0.00 C ATOM 1255 C VAL A 82 89.547 4.919 -5.040 1.00 0.00 C ATOM 1256 O VAL A 82 90.594 4.630 -4.505 1.00 0.00 O ATOM 1257 CB VAL A 82 87.534 3.419 -5.011 1.00 0.00 C ATOM 1258 CG1 VAL A 82 87.704 3.507 -6.518 1.00 0.00 C ATOM 1259 CG2 VAL A 82 88.175 2.120 -4.517 1.00 0.00 C ATOM 0 H VAL A 82 86.458 5.674 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 82 88.370 4.415 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 82 86.476 3.419 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.227 2.647 -6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 82 87.241 4.424 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.766 3.513 -6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 82 87.686 1.269 -4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 82 89.235 2.117 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 82 88.062 2.047 -3.435 1.00 0.00 H new ATOM 1269 N LEU A 83 89.522 5.494 -6.220 1.00 0.00 N ATOM 1270 CA LEU A 83 90.804 5.793 -6.934 1.00 0.00 C ATOM 1271 C LEU A 83 91.674 6.772 -6.131 1.00 0.00 C ATOM 1272 O LEU A 83 92.867 6.583 -6.000 1.00 0.00 O ATOM 1273 CB LEU A 83 90.498 6.425 -8.292 1.00 0.00 C ATOM 1274 CG LEU A 83 89.839 5.395 -9.203 1.00 0.00 C ATOM 1275 CD1 LEU A 83 89.447 6.058 -10.521 1.00 0.00 C ATOM 1276 CD2 LEU A 83 90.828 4.267 -9.483 1.00 0.00 C ATOM 0 H LEU A 83 88.674 5.768 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 83 91.344 4.854 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.840 7.285 -8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.417 6.792 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 83 88.949 4.994 -8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 83 88.976 5.322 -11.173 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.747 6.870 -10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 83 90.338 6.456 -11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.362 3.528 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 83 91.714 4.673 -9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.116 3.794 -8.544 1.00 0.00 H new ATOM 1288 N HIS A 84 91.103 7.825 -5.609 1.00 0.00 N ATOM 1289 CA HIS A 84 91.922 8.811 -4.842 1.00 0.00 C ATOM 1290 C HIS A 84 92.557 8.131 -3.626 1.00 0.00 C ATOM 1291 O HIS A 84 93.696 8.382 -3.289 1.00 0.00 O ATOM 1292 CB HIS A 84 91.019 9.951 -4.372 1.00 0.00 C ATOM 1293 CG HIS A 84 91.845 11.014 -3.695 1.00 0.00 C ATOM 1294 ND1 HIS A 84 92.609 11.926 -4.409 1.00 0.00 N ATOM 1295 CD2 HIS A 84 92.023 11.333 -2.371 1.00 0.00 C ATOM 1296 CE1 HIS A 84 93.202 12.744 -3.518 1.00 0.00 C ATOM 1297 NE2 HIS A 84 92.878 12.426 -2.261 1.00 0.00 N ATOM 0 H HIS A 84 90.110 8.045 -5.679 1.00 0.00 H new ATOM 0 HA HIS A 84 92.712 9.202 -5.483 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.486 10.378 -5.221 1.00 0.00 H new ATOM 0 HB3 HIS A 84 90.266 9.569 -3.683 1.00 0.00 H new ATOM 0 HD2 HIS A 84 91.568 10.814 -1.540 1.00 0.00 H new ATOM 0 HE1 HIS A 84 93.859 13.558 -3.787 1.00 0.00 H new ATOM 0 HE2 HIS A 84 93.190 12.885 -1.405 1.00 0.00 H new ATOM 1305 N TYR A 85 91.828 7.281 -2.962 1.00 0.00 N ATOM 1306 CA TYR A 85 92.394 6.596 -1.767 1.00 0.00 C ATOM 1307 C TYR A 85 93.452 5.557 -2.168 1.00 0.00 C ATOM 1308 O TYR A 85 94.345 5.253 -1.402 1.00 0.00 O ATOM 1309 CB TYR A 85 91.265 5.941 -0.971 1.00 0.00 C ATOM 1310 CG TYR A 85 90.654 6.984 -0.069 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.826 7.982 -0.600 1.00 0.00 C ATOM 1312 CD2 TYR A 85 90.943 6.970 1.297 1.00 0.00 C ATOM 1313 CE1 TYR A 85 89.288 8.963 0.240 1.00 0.00 C ATOM 1314 CE2 TYR A 85 90.411 7.955 2.136 1.00 0.00 C ATOM 1315 CZ TYR A 85 89.581 8.951 1.608 1.00 0.00 C ATOM 1316 OH TYR A 85 89.058 9.925 2.435 1.00 0.00 O ATOM 0 H TYR A 85 90.867 7.031 -3.193 1.00 0.00 H new ATOM 0 HA TYR A 85 92.889 7.339 -1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.512 5.534 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.649 5.108 -0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 85 89.603 7.994 -1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 85 91.578 6.198 1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.646 9.730 -0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 85 90.641 7.947 3.191 1.00 0.00 H new ATOM 0 HH TYR A 85 89.359 9.769 3.355 1.00 0.00 H new ATOM 1326 N GLN A 86 93.373 5.007 -3.353 1.00 0.00 N ATOM 1327 CA GLN A 86 94.395 3.996 -3.763 1.00 0.00 C ATOM 1328 C GLN A 86 95.764 4.674 -3.854 1.00 0.00 C ATOM 1329 O GLN A 86 96.782 4.074 -3.574 1.00 0.00 O ATOM 1330 CB GLN A 86 94.035 3.404 -5.135 1.00 0.00 C ATOM 1331 CG GLN A 86 92.704 2.663 -5.053 1.00 0.00 C ATOM 1332 CD GLN A 86 92.810 1.342 -5.817 1.00 0.00 C ATOM 1333 OE1 GLN A 86 92.069 0.416 -5.555 1.00 0.00 O ATOM 1334 NE2 GLN A 86 93.706 1.212 -6.759 1.00 0.00 N ATOM 0 H GLN A 86 92.654 5.211 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 86 94.420 3.195 -3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.972 4.199 -5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.820 2.723 -5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.444 2.474 -4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 86 91.907 3.276 -5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 86 94.329 1.988 -6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 86 93.782 0.334 -7.273 1.00 0.00 H new ATOM 1343 N HIS A 87 95.803 5.919 -4.246 1.00 0.00 N ATOM 1344 CA HIS A 87 97.116 6.618 -4.353 1.00 0.00 C ATOM 1345 C HIS A 87 97.398 7.445 -3.087 1.00 0.00 C ATOM 1346 O HIS A 87 98.528 7.803 -2.823 1.00 0.00 O ATOM 1347 CB HIS A 87 97.108 7.541 -5.572 1.00 0.00 C ATOM 1348 CG HIS A 87 97.005 6.719 -6.825 1.00 0.00 C ATOM 1349 ND1 HIS A 87 97.914 5.717 -7.131 1.00 0.00 N ATOM 1350 CD2 HIS A 87 96.106 6.739 -7.862 1.00 0.00 C ATOM 1351 CE1 HIS A 87 97.545 5.182 -8.307 1.00 0.00 C ATOM 1352 NE2 HIS A 87 96.449 5.769 -8.798 1.00 0.00 N ATOM 0 H HIS A 87 94.988 6.479 -4.495 1.00 0.00 H new ATOM 0 HA HIS A 87 97.899 5.868 -4.462 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.270 8.235 -5.510 1.00 0.00 H new ATOM 0 HB3 HIS A 87 98.018 8.141 -5.592 1.00 0.00 H new ATOM 0 HD2 HIS A 87 95.261 7.407 -7.939 1.00 0.00 H new ATOM 0 HE1 HIS A 87 98.070 4.375 -8.796 1.00 0.00 H new ATOM 0 HE2 HIS A 87 95.968 5.552 -9.671 1.00 0.00 H new ATOM 1360 N THR A 88 96.393 7.760 -2.304 1.00 0.00 N ATOM 1361 CA THR A 88 96.640 8.570 -1.068 1.00 0.00 C ATOM 1362 C THR A 88 96.696 7.650 0.148 1.00 0.00 C ATOM 1363 O THR A 88 95.843 6.807 0.348 1.00 0.00 O ATOM 1364 CB THR A 88 95.513 9.593 -0.879 1.00 0.00 C ATOM 1365 OG1 THR A 88 95.259 10.247 -2.112 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.941 10.630 0.163 1.00 0.00 C ATOM 0 H THR A 88 95.421 7.494 -2.465 1.00 0.00 H new ATOM 0 HA THR A 88 97.590 9.095 -1.173 1.00 0.00 H new ATOM 0 HB THR A 88 94.610 9.084 -0.542 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.688 9.680 -2.671 1.00 0.00 H new ATOM 0 HG21 THR A 88 95.142 11.359 0.300 1.00 0.00 H new ATOM 0 HG22 THR A 88 96.144 10.131 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.842 11.139 -0.179 1.00 0.00 H new ATOM 1374 N SER A 89 97.705 7.807 0.958 1.00 0.00 N ATOM 1375 CA SER A 89 97.845 6.948 2.163 1.00 0.00 C ATOM 1376 C SER A 89 96.843 7.385 3.235 1.00 0.00 C ATOM 1377 O SER A 89 96.664 8.559 3.497 1.00 0.00 O ATOM 1378 CB SER A 89 99.271 7.083 2.689 1.00 0.00 C ATOM 1379 OG SER A 89 99.414 8.325 3.370 1.00 0.00 O ATOM 0 H SER A 89 98.444 8.499 0.835 1.00 0.00 H new ATOM 0 HA SER A 89 97.642 5.908 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.500 6.258 3.364 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.981 7.026 1.864 1.00 0.00 H new ATOM 0 HG SER A 89 100.361 8.482 3.568 1.00 0.00 H new ATOM 1385 N LEU A 90 96.187 6.441 3.851 1.00 0.00 N ATOM 1386 CA LEU A 90 95.187 6.785 4.904 1.00 0.00 C ATOM 1387 C LEU A 90 95.861 7.513 6.071 1.00 0.00 C ATOM 1388 O LEU A 90 95.342 8.495 6.558 1.00 0.00 O ATOM 1389 CB LEU A 90 94.530 5.504 5.419 1.00 0.00 C ATOM 1390 CG LEU A 90 93.432 5.064 4.448 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.662 3.605 4.034 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.075 5.200 5.143 1.00 0.00 C ATOM 0 H LEU A 90 96.300 5.443 3.671 1.00 0.00 H new ATOM 0 HA LEU A 90 94.434 7.442 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.276 4.716 5.521 1.00 0.00 H new ATOM 0 HB3 LEU A 90 94.107 5.673 6.409 1.00 0.00 H new ATOM 0 HG LEU A 90 93.453 5.690 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.878 3.295 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.633 3.514 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 90 93.639 2.968 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.284 4.889 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 90 92.056 4.569 6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.917 6.239 5.432 1.00 0.00 H new ATOM 1404 N VAL A 91 97.011 7.046 6.510 1.00 0.00 N ATOM 1405 CA VAL A 91 97.731 7.712 7.642 1.00 0.00 C ATOM 1406 C VAL A 91 96.713 8.430 8.524 1.00 0.00 C ATOM 1407 O VAL A 91 96.242 7.898 9.510 1.00 0.00 O ATOM 1408 CB VAL A 91 98.713 8.723 7.054 1.00 0.00 C ATOM 1409 CG1 VAL A 91 99.365 9.541 8.165 1.00 0.00 C ATOM 1410 CG2 VAL A 91 99.802 7.978 6.280 1.00 0.00 C ATOM 0 H VAL A 91 97.482 6.226 6.128 1.00 0.00 H new ATOM 0 HA VAL A 91 98.269 6.979 8.242 1.00 0.00 H new ATOM 0 HB VAL A 91 98.170 9.394 6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 91 100.062 10.257 7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 91 98.596 10.077 8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.903 8.875 8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 91 100.505 8.696 5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.331 7.305 6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 91 99.346 7.401 5.475 1.00 0.00 H new ATOM 1420 N GLN A 92 96.353 9.623 8.154 1.00 0.00 N ATOM 1421 CA GLN A 92 95.348 10.371 8.944 1.00 0.00 C ATOM 1422 C GLN A 92 95.999 10.941 10.201 1.00 0.00 C ATOM 1423 O GLN A 92 97.179 10.768 10.437 1.00 0.00 O ATOM 1424 CB GLN A 92 94.216 9.421 9.333 1.00 0.00 C ATOM 1425 CG GLN A 92 92.908 10.197 9.440 1.00 0.00 C ATOM 1426 CD GLN A 92 91.778 9.210 9.710 1.00 0.00 C ATOM 1427 OE1 GLN A 92 91.915 8.032 9.448 1.00 0.00 O ATOM 1428 NE2 GLN A 92 90.661 9.635 10.228 1.00 0.00 N ATOM 0 H GLN A 92 96.714 10.112 7.335 1.00 0.00 H new ATOM 0 HA GLN A 92 94.950 11.193 8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 92 94.121 8.630 8.590 1.00 0.00 H new ATOM 0 HB3 GLN A 92 94.443 8.939 10.284 1.00 0.00 H new ATOM 0 HG2 GLN A 92 92.969 10.932 10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 92 92.718 10.747 8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 92 90.545 10.624 10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 92 89.902 8.979 10.413 1.00 0.00 H new ATOM 1437 N HIS A 93 95.234 11.621 11.008 1.00 0.00 N ATOM 1438 CA HIS A 93 95.793 12.213 12.255 1.00 0.00 C ATOM 1439 C HIS A 93 96.440 11.105 13.084 1.00 0.00 C ATOM 1440 O HIS A 93 97.494 11.289 13.662 1.00 0.00 O ATOM 1441 CB HIS A 93 94.667 12.863 13.062 1.00 0.00 C ATOM 1442 CG HIS A 93 95.242 13.597 14.243 1.00 0.00 C ATOM 1443 ND1 HIS A 93 95.969 14.772 14.108 1.00 0.00 N ATOM 1444 CD2 HIS A 93 95.188 13.344 15.591 1.00 0.00 C ATOM 1445 CE1 HIS A 93 96.316 15.178 15.343 1.00 0.00 C ATOM 1446 NE2 HIS A 93 95.867 14.343 16.283 1.00 0.00 N ATOM 0 H HIS A 93 94.240 11.793 10.857 1.00 0.00 H new ATOM 0 HA HIS A 93 96.537 12.969 12.003 1.00 0.00 H new ATOM 0 HB2 HIS A 93 94.107 13.553 12.431 1.00 0.00 H new ATOM 0 HB3 HIS A 93 93.965 12.102 13.402 1.00 0.00 H new ATOM 0 HD2 HIS A 93 94.694 12.498 16.046 1.00 0.00 H new ATOM 0 HE1 HIS A 93 96.888 16.071 15.549 1.00 0.00 H new ATOM 0 HE2 HIS A 93 95.994 14.420 17.292 1.00 0.00 H new ATOM 1454 N ASN A 94 95.829 9.949 13.139 1.00 0.00 N ATOM 1455 CA ASN A 94 96.437 8.842 13.920 1.00 0.00 C ATOM 1456 C ASN A 94 97.890 8.716 13.475 1.00 0.00 C ATOM 1457 O ASN A 94 98.756 8.319 14.229 1.00 0.00 O ATOM 1458 CB ASN A 94 95.689 7.529 13.654 1.00 0.00 C ATOM 1459 CG ASN A 94 96.146 6.489 14.676 1.00 0.00 C ATOM 1460 OD1 ASN A 94 95.396 5.608 15.050 1.00 0.00 O ATOM 1461 ND2 ASN A 94 97.362 6.555 15.141 1.00 0.00 N ATOM 0 H ASN A 94 94.945 9.730 12.680 1.00 0.00 H new ATOM 0 HA ASN A 94 96.377 9.050 14.988 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.613 7.685 13.729 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.890 7.178 12.642 1.00 0.00 H new ATOM 0 HD21 ASN A 94 97.686 5.867 15.820 1.00 0.00 H new ATOM 0 HD22 ASN A 94 97.989 7.295 14.826 1.00 0.00 H new ATOM 1468 N ASP A 95 98.159 9.084 12.253 1.00 0.00 N ATOM 1469 CA ASP A 95 99.554 9.024 11.729 1.00 0.00 C ATOM 1470 C ASP A 95 100.046 7.573 11.691 1.00 0.00 C ATOM 1471 O ASP A 95 101.233 7.317 11.722 1.00 0.00 O ATOM 1472 CB ASP A 95 100.466 9.860 12.639 1.00 0.00 C ATOM 1473 CG ASP A 95 101.854 10.011 12.007 1.00 0.00 C ATOM 1474 OD1 ASP A 95 102.090 9.403 10.976 1.00 0.00 O ATOM 1475 OD2 ASP A 95 102.663 10.733 12.571 1.00 0.00 O ATOM 0 H ASP A 95 97.466 9.427 11.588 1.00 0.00 H new ATOM 0 HA ASP A 95 99.577 9.424 10.715 1.00 0.00 H new ATOM 0 HB2 ASP A 95 100.025 10.843 12.803 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.553 9.383 13.615 1.00 0.00 H new ATOM 1480 N SER A 96 99.152 6.620 11.617 1.00 0.00 N ATOM 1481 CA SER A 96 99.598 5.197 11.570 1.00 0.00 C ATOM 1482 C SER A 96 98.790 4.425 10.524 1.00 0.00 C ATOM 1483 O SER A 96 98.867 3.214 10.436 1.00 0.00 O ATOM 1484 CB SER A 96 99.432 4.544 12.950 1.00 0.00 C ATOM 1485 OG SER A 96 100.288 5.192 13.885 1.00 0.00 O ATOM 0 H SER A 96 98.143 6.764 11.587 1.00 0.00 H new ATOM 0 HA SER A 96 100.652 5.170 11.292 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.395 4.618 13.277 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.673 3.483 12.894 1.00 0.00 H new ATOM 0 HG SER A 96 100.182 4.778 14.767 1.00 0.00 H new ATOM 1491 N LEU A 97 98.037 5.109 9.711 1.00 0.00 N ATOM 1492 CA LEU A 97 97.257 4.397 8.661 1.00 0.00 C ATOM 1493 C LEU A 97 98.023 4.524 7.350 1.00 0.00 C ATOM 1494 O LEU A 97 97.489 4.927 6.339 1.00 0.00 O ATOM 1495 CB LEU A 97 95.867 5.023 8.521 1.00 0.00 C ATOM 1496 CG LEU A 97 95.119 4.866 9.845 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.814 5.660 9.802 1.00 0.00 C ATOM 1498 CD2 LEU A 97 94.810 3.385 10.086 1.00 0.00 C ATOM 0 H LEU A 97 97.927 6.123 9.727 1.00 0.00 H new ATOM 0 HA LEU A 97 97.129 3.348 8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.953 6.078 8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.315 4.539 7.716 1.00 0.00 H new ATOM 0 HG LEU A 97 95.742 5.245 10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 97 93.286 5.544 10.748 1.00 0.00 H new ATOM 0 HD12 LEU A 97 94.035 6.715 9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 97 93.189 5.289 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 97 94.277 3.274 11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 97 94.191 3.005 9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.742 2.821 10.127 1.00 0.00 H new ATOM 1510 N ASN A 98 99.285 4.197 7.370 1.00 0.00 N ATOM 1511 CA ASN A 98 100.105 4.329 6.138 1.00 0.00 C ATOM 1512 C ASN A 98 99.821 3.177 5.176 1.00 0.00 C ATOM 1513 O ASN A 98 100.704 2.431 4.807 1.00 0.00 O ATOM 1514 CB ASN A 98 101.585 4.321 6.516 1.00 0.00 C ATOM 1515 CG ASN A 98 101.950 2.974 7.144 1.00 0.00 C ATOM 1516 OD1 ASN A 98 101.312 1.972 6.886 1.00 0.00 O ATOM 1517 ND2 ASN A 98 102.960 2.912 7.965 1.00 0.00 N ATOM 0 H ASN A 98 99.782 3.844 8.188 1.00 0.00 H new ATOM 0 HA ASN A 98 99.850 5.267 5.644 1.00 0.00 H new ATOM 0 HB2 ASN A 98 102.197 4.499 5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.796 5.129 7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 98 103.216 2.022 8.392 1.00 0.00 H new ATOM 0 HD22 ASN A 98 103.494 3.754 8.181 1.00 0.00 H new ATOM 1524 N VAL A 99 98.598 3.050 4.749 1.00 0.00 N ATOM 1525 CA VAL A 99 98.250 1.971 3.787 1.00 0.00 C ATOM 1526 C VAL A 99 97.391 2.570 2.675 1.00 0.00 C ATOM 1527 O VAL A 99 96.847 3.646 2.818 1.00 0.00 O ATOM 1528 CB VAL A 99 97.461 0.878 4.501 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.188 1.477 5.102 1.00 0.00 C ATOM 1530 CG2 VAL A 99 97.085 -0.215 3.498 1.00 0.00 C ATOM 0 H VAL A 99 97.821 3.650 5.026 1.00 0.00 H new ATOM 0 HA VAL A 99 99.160 1.539 3.370 1.00 0.00 H new ATOM 0 HB VAL A 99 98.071 0.449 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.624 0.696 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 99 96.454 2.257 5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 99 95.577 1.905 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 99 96.521 -0.997 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 99 96.475 0.215 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 99 97.991 -0.642 3.069 1.00 0.00 H new ATOM 1540 N THR A 100 97.261 1.892 1.570 1.00 0.00 N ATOM 1541 CA THR A 100 96.428 2.447 0.461 1.00 0.00 C ATOM 1542 C THR A 100 95.355 1.452 0.048 1.00 0.00 C ATOM 1543 O THR A 100 95.368 0.297 0.413 1.00 0.00 O ATOM 1544 CB THR A 100 97.288 2.741 -0.765 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.895 1.538 -1.225 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.362 3.765 -0.412 1.00 0.00 C ATOM 0 H THR A 100 97.690 0.985 1.385 1.00 0.00 H new ATOM 0 HA THR A 100 95.970 3.366 0.828 1.00 0.00 H new ATOM 0 HB THR A 100 96.658 3.148 -1.556 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.445 1.730 -2.013 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.972 3.970 -1.292 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.889 4.687 -0.075 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.994 3.370 0.384 1.00 0.00 H new ATOM 1554 N LEU A 101 94.442 1.914 -0.744 1.00 0.00 N ATOM 1555 CA LEU A 101 93.355 1.045 -1.246 1.00 0.00 C ATOM 1556 C LEU A 101 93.743 0.576 -2.651 1.00 0.00 C ATOM 1557 O LEU A 101 92.914 0.413 -3.522 1.00 0.00 O ATOM 1558 CB LEU A 101 92.073 1.874 -1.289 1.00 0.00 C ATOM 1559 CG LEU A 101 91.637 2.150 0.146 1.00 0.00 C ATOM 1560 CD1 LEU A 101 92.599 3.157 0.790 1.00 0.00 C ATOM 1561 CD2 LEU A 101 90.210 2.711 0.154 1.00 0.00 C ATOM 0 H LEU A 101 94.402 2.879 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 101 93.198 0.176 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 101 92.243 2.810 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.291 1.338 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 101 91.657 1.221 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 101 92.287 3.354 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 101 93.609 2.746 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 101 92.586 4.087 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 101 89.902 2.907 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.181 3.639 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 101 89.532 1.986 -0.296 1.00 0.00 H new ATOM 1573 N ALA A 102 95.019 0.389 -2.874 1.00 0.00 N ATOM 1574 CA ALA A 102 95.510 -0.028 -4.225 1.00 0.00 C ATOM 1575 C ALA A 102 95.210 -1.505 -4.519 1.00 0.00 C ATOM 1576 O ALA A 102 95.294 -1.934 -5.653 1.00 0.00 O ATOM 1577 CB ALA A 102 97.023 0.211 -4.301 1.00 0.00 C ATOM 0 H ALA A 102 95.749 0.508 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 102 94.987 0.568 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.390 -0.090 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 102 97.233 1.269 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.523 -0.376 -3.531 1.00 0.00 H new ATOM 1583 N TYR A 103 94.877 -2.299 -3.539 1.00 0.00 N ATOM 1584 CA TYR A 103 94.603 -3.737 -3.836 1.00 0.00 C ATOM 1585 C TYR A 103 93.131 -4.095 -3.562 1.00 0.00 C ATOM 1586 O TYR A 103 92.722 -4.198 -2.426 1.00 0.00 O ATOM 1587 CB TYR A 103 95.498 -4.606 -2.949 1.00 0.00 C ATOM 1588 CG TYR A 103 96.946 -4.393 -3.326 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.532 -5.196 -4.309 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.701 -3.396 -2.694 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.874 -5.008 -4.661 1.00 0.00 C ATOM 1592 CE2 TYR A 103 99.045 -3.209 -3.045 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.631 -4.014 -4.029 1.00 0.00 C ATOM 1594 OH TYR A 103 100.957 -3.831 -4.376 1.00 0.00 O ATOM 0 H TYR A 103 94.783 -2.023 -2.561 1.00 0.00 H new ATOM 0 HA TYR A 103 94.810 -3.916 -4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.344 -4.352 -1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.232 -5.657 -3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.949 -5.962 -4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.248 -2.773 -1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 103 99.325 -5.630 -5.420 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.629 -2.443 -2.556 1.00 0.00 H new ATOM 0 HH TYR A 103 101.337 -3.101 -3.844 1.00 0.00 H new ATOM 1604 N PRO A 104 92.341 -4.324 -4.593 1.00 0.00 N ATOM 1605 CA PRO A 104 90.910 -4.734 -4.428 1.00 0.00 C ATOM 1606 C PRO A 104 90.809 -6.081 -3.710 1.00 0.00 C ATOM 1607 O PRO A 104 91.643 -6.948 -3.884 1.00 0.00 O ATOM 1608 CB PRO A 104 90.380 -4.861 -5.861 1.00 0.00 C ATOM 1609 CG PRO A 104 91.356 -4.133 -6.726 1.00 0.00 C ATOM 1610 CD PRO A 104 92.707 -4.209 -6.015 1.00 0.00 C ATOM 0 HA PRO A 104 90.346 -4.018 -3.831 1.00 0.00 H new ATOM 0 HB2 PRO A 104 90.301 -5.907 -6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.383 -4.429 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.412 -4.588 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.050 -3.096 -6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.289 -5.067 -6.350 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.310 -3.321 -6.204 1.00 0.00 H new ATOM 1618 N VAL A 105 89.802 -6.274 -2.910 1.00 0.00 N ATOM 1619 CA VAL A 105 89.674 -7.570 -2.199 1.00 0.00 C ATOM 1620 C VAL A 105 89.430 -8.686 -3.219 1.00 0.00 C ATOM 1621 O VAL A 105 89.874 -9.803 -3.046 1.00 0.00 O ATOM 1622 CB VAL A 105 88.537 -7.486 -1.189 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.232 -7.116 -1.890 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.380 -8.833 -0.493 1.00 0.00 C ATOM 0 H VAL A 105 89.066 -5.594 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 105 90.593 -7.794 -1.658 1.00 0.00 H new ATOM 0 HB VAL A 105 88.770 -6.716 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.428 -7.060 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.344 -6.149 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.991 -7.875 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.567 -8.776 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.154 -9.601 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.307 -9.087 0.022 1.00 0.00 H new ATOM 1634 N TYR A 106 88.744 -8.392 -4.294 1.00 0.00 N ATOM 1635 CA TYR A 106 88.496 -9.439 -5.330 1.00 0.00 C ATOM 1636 C TYR A 106 89.035 -8.975 -6.685 1.00 0.00 C ATOM 1637 O TYR A 106 88.350 -9.022 -7.686 1.00 0.00 O ATOM 1638 CB TYR A 106 87.001 -9.714 -5.443 1.00 0.00 C ATOM 1639 CG TYR A 106 86.601 -10.680 -4.364 1.00 0.00 C ATOM 1640 CD1 TYR A 106 87.020 -12.012 -4.439 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.824 -10.247 -3.285 1.00 0.00 C ATOM 1642 CE1 TYR A 106 86.659 -12.914 -3.436 1.00 0.00 C ATOM 1643 CE2 TYR A 106 85.464 -11.150 -2.280 1.00 0.00 C ATOM 1644 CZ TYR A 106 85.882 -12.481 -2.353 1.00 0.00 C ATOM 1645 OH TYR A 106 85.529 -13.367 -1.357 1.00 0.00 O ATOM 0 H TYR A 106 88.346 -7.475 -4.499 1.00 0.00 H new ATOM 0 HA TYR A 106 89.010 -10.354 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.438 -8.786 -5.345 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.767 -10.127 -6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 106 87.622 -12.343 -5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.503 -9.217 -3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.978 -13.944 -3.495 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.862 -10.818 -1.447 1.00 0.00 H new ATOM 0 HH TYR A 106 84.991 -12.903 -0.682 1.00 0.00 H new ATOM 1655 N ALA A 107 90.259 -8.534 -6.725 1.00 0.00 N ATOM 1656 CA ALA A 107 90.850 -8.071 -8.012 1.00 0.00 C ATOM 1657 C ALA A 107 90.902 -9.234 -8.999 1.00 0.00 C ATOM 1658 O ALA A 107 91.201 -10.354 -8.636 1.00 0.00 O ATOM 1659 CB ALA A 107 92.272 -7.577 -7.754 1.00 0.00 C ATOM 0 H ALA A 107 90.880 -8.473 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 107 90.241 -7.268 -8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.714 -7.236 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 107 92.247 -6.752 -7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.871 -8.391 -7.345 1.00 0.00 H new