USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 849 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 114 GLN : amide:sc= -0.297 X(o=-0.43,f=-0.2) USER MOD Set 1.2: A 118 ASN : amide:sc= -0.13 X(o=-0.43,f=-0.92) USER MOD Set 2.1: A 103 ASN : amide:sc= 0.0319 K(o=0.037,f=-0.55) USER MOD Set 2.2: A 107 GLN : amide:sc= 0.00476 K(o=0.037,f=-0.55) USER MOD Set 3.1: A 30 MET CE :methyl -148:sc= -3.38! (180deg=-3.58!) USER MOD Set 3.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 89 SER OG : rot -24:sc= 0.127 USER MOD Set 4.2: A 92 THR OG1 : rot 112:sc= 0.0732 USER MOD Set 5.1: A 67 GLN : amide:sc= -0.651 K(o=-1.7,f=-3.5!) USER MOD Set 5.2: A 71 MET CE :methyl -165:sc= -1.07 (180deg=-1.48) USER MOD Set 6.1: A 62 SER OG : rot 170:sc= -1.49! USER MOD Set 6.2: A 64 ASN : amide:sc= -0.085 X(o=-1.6,f=-1.1) USER MOD Single : A 8 THR OG1 : rot 25:sc= 0.447 USER MOD Single : A 11 THR OG1 : rot -99:sc= 1.43 USER MOD Single : A 12 ASN : amide:sc= -0.182 K(o=-0.18,f=-3.7!) USER MOD Single : A 18 ASN : amide:sc= -0.0289 K(o=-0.029,f=-1.2) USER MOD Single : A 20 MET CE :methyl -132:sc= 0 (180deg=-2.37!) USER MOD Single : A 21 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.3!) USER MOD Single : A 22 SER OG : rot 77:sc= 0.13 USER MOD Single : A 24 MET CE :methyl -165:sc= -0.0215 (180deg=-0.485) USER MOD Single : A 25 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.63) USER MOD Single : A 28 SER OG : rot -87:sc= 0.265 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00364 USER MOD Single : A 37 GLN : amide:sc= 0.33 K(o=0.33,f=-1.3) USER MOD Single : A 41 MET CE :methyl -148:sc= -0.197 (180deg=-1.62) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 46 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.16) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -163:sc= -0.321 (180deg=-1.43) USER MOD Single : A 50 GLN : amide:sc= -0.505 X(o=-0.5,f=-0.28) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.04 X(o=-1,f=-1.4) USER MOD Single : A 54 SER OG : rot 72:sc= 1.11 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0721 F(o=-1.6!,f=-0.072) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.63 K(o=-1.6,f=-5.9!) USER MOD Single : A 75 SER OG : rot -81:sc= 1.04 USER MOD Single : A 76 SER OG : rot 75:sc= 1.24 USER MOD Single : A 77 MET CE :methyl -170:sc= -0.465 (180deg=-1.01) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -111:sc= -0.0526 (180deg=-1.33) USER MOD Single : A 94 THR OG1 : rot -130:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 15:sc= 1.33 USER MOD Single : A 101 MET CE :methyl -176:sc= -2.42 (180deg=-2.47) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -80:sc= 1.08 USER MOD Single : A 109 THR OG1 : rot -38:sc= 1.43 USER MOD Single : A 113 ASN : amide:sc= -2 K(o=-2,f=-7.7!) USER MOD Single : A 121 THR OG1 : rot 41:sc= 0.637 USER MOD Single : A 122 GLN : amide:sc= -0.0691 X(o=-0.069,f=-0.065) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 150:sc= -0.167 (180deg=-1.09) USER MOD Single : A 129 GLN : amide:sc= 0.0545 X(o=0.055,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.212 0.727 -8.169 1.00 0.00 N ATOM 82 CA THR A 8 14.837 0.743 -9.471 1.00 0.00 C ATOM 83 C THR A 8 16.199 0.059 -9.353 1.00 0.00 C ATOM 84 O THR A 8 16.860 0.191 -8.327 1.00 0.00 O ATOM 85 CB THR A 8 15.025 2.198 -9.954 1.00 0.00 C ATOM 86 OG1 THR A 8 13.911 2.994 -9.533 1.00 0.00 O ATOM 87 CG2 THR A 8 15.154 2.286 -11.467 1.00 0.00 C ATOM 0 HA THR A 8 14.209 0.220 -10.192 1.00 0.00 H new ATOM 0 HB THR A 8 15.950 2.571 -9.513 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.505 2.593 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.284 3.327 -11.761 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.017 1.706 -11.793 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.253 1.888 -11.933 1.00 0.00 H new ATOM 95 N PRO A 9 16.636 -0.688 -10.374 1.00 0.00 N ATOM 96 CA PRO A 9 17.932 -1.389 -10.352 1.00 0.00 C ATOM 97 C PRO A 9 19.119 -0.455 -10.100 1.00 0.00 C ATOM 98 O PRO A 9 20.205 -0.906 -9.751 1.00 0.00 O ATOM 99 CB PRO A 9 18.036 -2.004 -11.754 1.00 0.00 C ATOM 100 CG PRO A 9 17.012 -1.294 -12.576 1.00 0.00 C ATOM 101 CD PRO A 9 15.910 -0.932 -11.627 1.00 0.00 C ATOM 0 HA PRO A 9 17.971 -2.116 -9.541 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.035 -1.869 -12.169 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.844 -3.077 -11.728 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.434 -0.404 -13.044 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.643 -1.932 -13.379 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.364 -0.049 -11.958 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.182 -1.737 -11.524 1.00 0.00 H new ATOM 109 N TRP A 10 18.903 0.846 -10.263 1.00 0.00 N ATOM 110 CA TRP A 10 19.977 1.824 -10.137 1.00 0.00 C ATOM 111 C TRP A 10 20.019 2.421 -8.729 1.00 0.00 C ATOM 112 O TRP A 10 20.694 3.421 -8.498 1.00 0.00 O ATOM 113 CB TRP A 10 19.796 2.956 -11.159 1.00 0.00 C ATOM 114 CG TRP A 10 19.419 2.505 -12.540 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.516 3.110 -13.367 1.00 0.00 C ATOM 116 CD2 TRP A 10 19.914 1.362 -13.255 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.422 2.421 -14.551 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.268 1.346 -14.508 1.00 0.00 C ATOM 119 CE3 TRP A 10 20.843 0.357 -12.965 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.517 0.362 -15.457 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.085 -0.619 -13.911 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.427 -0.608 -15.146 1.00 0.00 C ATOM 0 H TRP A 10 17.992 1.248 -10.483 1.00 0.00 H new ATOM 0 HA TRP A 10 20.916 1.305 -10.328 1.00 0.00 H new ATOM 0 HB2 TRP A 10 19.028 3.637 -10.793 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.724 3.524 -11.219 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.957 4.002 -13.125 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.819 2.670 -15.335 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.362 0.345 -12.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.008 0.364 -16.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 21.794 -1.404 -13.694 1.00 0.00 H new ATOM 0 HH2 TRP A 10 20.643 -1.382 -15.868 1.00 0.00 H new ATOM 133 N THR A 11 19.300 1.811 -7.793 1.00 0.00 N ATOM 134 CA THR A 11 19.207 2.332 -6.437 1.00 0.00 C ATOM 135 C THR A 11 20.513 2.157 -5.668 1.00 0.00 C ATOM 136 O THR A 11 21.240 3.120 -5.422 1.00 0.00 O ATOM 137 CB THR A 11 18.071 1.641 -5.661 1.00 0.00 C ATOM 138 OG1 THR A 11 18.033 0.244 -5.989 1.00 0.00 O ATOM 139 CG2 THR A 11 16.724 2.282 -5.961 1.00 0.00 C ATOM 0 H THR A 11 18.772 0.953 -7.951 1.00 0.00 H new ATOM 0 HA THR A 11 18.996 3.398 -6.526 1.00 0.00 H new ATOM 0 HB THR A 11 18.270 1.759 -4.596 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.337 0.084 -6.660 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.944 1.770 -5.397 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.749 3.333 -5.674 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.513 2.202 -7.027 1.00 0.00 H new ATOM 147 N ASN A 12 20.803 0.922 -5.292 1.00 0.00 N ATOM 148 CA ASN A 12 21.979 0.624 -4.491 1.00 0.00 C ATOM 149 C ASN A 12 23.142 0.222 -5.385 1.00 0.00 C ATOM 150 O ASN A 12 22.973 -0.587 -6.300 1.00 0.00 O ATOM 151 CB ASN A 12 21.691 -0.499 -3.483 1.00 0.00 C ATOM 152 CG ASN A 12 20.619 -0.140 -2.463 1.00 0.00 C ATOM 153 OD1 ASN A 12 19.685 0.607 -2.747 1.00 0.00 O ATOM 154 ND2 ASN A 12 20.747 -0.681 -1.263 1.00 0.00 N ATOM 0 H ASN A 12 20.238 0.107 -5.530 1.00 0.00 H new ATOM 0 HA ASN A 12 22.244 1.526 -3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.381 -1.392 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.612 -0.749 -2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 12 20.057 -0.483 -0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 12 21.535 -1.297 -1.063 1.00 0.00 H new ATOM 161 N PRO A 13 24.335 0.790 -5.139 1.00 0.00 N ATOM 162 CA PRO A 13 25.547 0.463 -5.898 1.00 0.00 C ATOM 163 C PRO A 13 25.809 -1.040 -5.960 1.00 0.00 C ATOM 164 O PRO A 13 26.094 -1.584 -7.026 1.00 0.00 O ATOM 165 CB PRO A 13 26.656 1.159 -5.109 1.00 0.00 C ATOM 166 CG PRO A 13 25.980 2.296 -4.431 1.00 0.00 C ATOM 167 CD PRO A 13 24.589 1.822 -4.112 1.00 0.00 C ATOM 0 HA PRO A 13 25.473 0.783 -6.937 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.113 0.482 -4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 13 27.452 1.507 -5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 13 26.512 2.581 -3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 13 25.954 3.175 -5.075 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.526 1.411 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 13 23.864 2.634 -4.171 1.00 0.00 H new ATOM 175 N GLY A 14 25.701 -1.700 -4.810 1.00 0.00 N ATOM 176 CA GLY A 14 25.903 -3.137 -4.748 1.00 0.00 C ATOM 177 C GLY A 14 24.926 -3.890 -5.629 1.00 0.00 C ATOM 178 O GLY A 14 25.289 -4.863 -6.285 1.00 0.00 O ATOM 0 H GLY A 14 25.476 -1.263 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.922 -3.373 -5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 14 25.794 -3.474 -3.717 1.00 0.00 H new ATOM 182 N LEU A 15 23.685 -3.419 -5.659 1.00 0.00 N ATOM 183 CA LEU A 15 22.645 -4.038 -6.471 1.00 0.00 C ATOM 184 C LEU A 15 22.992 -3.882 -7.948 1.00 0.00 C ATOM 185 O LEU A 15 23.176 -4.868 -8.658 1.00 0.00 O ATOM 186 CB LEU A 15 21.286 -3.385 -6.158 1.00 0.00 C ATOM 187 CG LEU A 15 20.023 -4.103 -6.672 1.00 0.00 C ATOM 188 CD1 LEU A 15 19.923 -4.074 -8.190 1.00 0.00 C ATOM 189 CD2 LEU A 15 19.977 -5.535 -6.162 1.00 0.00 C ATOM 0 H LEU A 15 23.374 -2.606 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 15 22.580 -5.101 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.201 -3.285 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.293 -2.377 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 15 19.163 -3.560 -6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.017 -4.592 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.887 -3.040 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.793 -4.569 -8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.078 -6.026 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.857 -6.074 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.963 -5.533 -5.072 1.00 0.00 H new ATOM 201 N ALA A 16 23.088 -2.631 -8.386 1.00 0.00 N ATOM 202 CA ALA A 16 23.365 -2.303 -9.785 1.00 0.00 C ATOM 203 C ALA A 16 24.624 -2.993 -10.305 1.00 0.00 C ATOM 204 O ALA A 16 24.645 -3.496 -11.428 1.00 0.00 O ATOM 205 CB ALA A 16 23.488 -0.797 -9.951 1.00 0.00 C ATOM 0 H ALA A 16 22.977 -1.815 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 16 22.527 -2.671 -10.377 1.00 0.00 H new ATOM 0 HB1 ALA A 16 23.694 -0.562 -10.995 1.00 0.00 H new ATOM 0 HB2 ALA A 16 22.555 -0.320 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.303 -0.428 -9.328 1.00 0.00 H new ATOM 211 N GLU A 17 25.670 -3.020 -9.491 1.00 0.00 N ATOM 212 CA GLU A 17 26.928 -3.631 -9.892 1.00 0.00 C ATOM 213 C GLU A 17 26.753 -5.131 -10.116 1.00 0.00 C ATOM 214 O GLU A 17 27.213 -5.678 -11.121 1.00 0.00 O ATOM 215 CB GLU A 17 28.004 -3.373 -8.838 1.00 0.00 C ATOM 216 CG GLU A 17 29.379 -3.874 -9.235 1.00 0.00 C ATOM 217 CD GLU A 17 30.427 -3.555 -8.195 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.535 -4.311 -7.203 1.00 0.00 O ATOM 219 OE2 GLU A 17 31.137 -2.543 -8.355 1.00 0.00 O ATOM 0 H GLU A 17 25.672 -2.626 -8.550 1.00 0.00 H new ATOM 0 HA GLU A 17 27.244 -3.179 -10.832 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.060 -2.302 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.708 -3.852 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.340 -4.952 -9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 17 29.666 -3.426 -10.186 1.00 0.00 H new ATOM 226 N ASN A 18 26.068 -5.789 -9.188 1.00 0.00 N ATOM 227 CA ASN A 18 25.791 -7.210 -9.307 1.00 0.00 C ATOM 228 C ASN A 18 24.824 -7.471 -10.453 1.00 0.00 C ATOM 229 O ASN A 18 24.886 -8.515 -11.106 1.00 0.00 O ATOM 230 CB ASN A 18 25.218 -7.750 -7.999 1.00 0.00 C ATOM 231 CG ASN A 18 26.264 -7.875 -6.909 1.00 0.00 C ATOM 232 OD1 ASN A 18 27.445 -8.087 -7.181 1.00 0.00 O ATOM 233 ND2 ASN A 18 25.835 -7.757 -5.661 1.00 0.00 N ATOM 0 H ASN A 18 25.694 -5.357 -8.343 1.00 0.00 H new ATOM 0 HA ASN A 18 26.727 -7.727 -9.519 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.420 -7.091 -7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.769 -8.727 -8.180 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.492 -7.842 -4.886 1.00 0.00 H new ATOM 0 HD22 ASN A 18 24.848 -7.581 -5.476 1.00 0.00 H new ATOM 240 N PHE A 19 23.938 -6.512 -10.694 1.00 0.00 N ATOM 241 CA PHE A 19 22.992 -6.589 -11.799 1.00 0.00 C ATOM 242 C PHE A 19 23.742 -6.682 -13.122 1.00 0.00 C ATOM 243 O PHE A 19 23.501 -7.590 -13.917 1.00 0.00 O ATOM 244 CB PHE A 19 22.071 -5.365 -11.790 1.00 0.00 C ATOM 245 CG PHE A 19 21.011 -5.387 -12.857 1.00 0.00 C ATOM 246 CD1 PHE A 19 19.858 -6.134 -12.687 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.166 -4.656 -14.026 1.00 0.00 C ATOM 248 CE1 PHE A 19 18.880 -6.154 -13.662 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.189 -4.675 -15.005 1.00 0.00 C ATOM 250 CZ PHE A 19 19.046 -5.425 -14.821 1.00 0.00 C ATOM 0 H PHE A 19 23.856 -5.664 -10.133 1.00 0.00 H new ATOM 0 HA PHE A 19 22.381 -7.484 -11.682 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.589 -5.294 -10.815 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.676 -4.467 -11.913 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.722 -6.707 -11.782 1.00 0.00 H new ATOM 0 HD2 PHE A 19 22.059 -4.066 -14.173 1.00 0.00 H new ATOM 0 HE1 PHE A 19 17.985 -6.741 -13.517 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.321 -4.104 -15.912 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.282 -5.441 -15.584 1.00 0.00 H new ATOM 260 N MET A 20 24.660 -5.744 -13.346 1.00 0.00 N ATOM 261 CA MET A 20 25.502 -5.756 -14.538 1.00 0.00 C ATOM 262 C MET A 20 26.333 -7.029 -14.619 1.00 0.00 C ATOM 263 O MET A 20 26.534 -7.581 -15.700 1.00 0.00 O ATOM 264 CB MET A 20 26.427 -4.537 -14.562 1.00 0.00 C ATOM 265 CG MET A 20 25.851 -3.339 -15.297 1.00 0.00 C ATOM 266 SD MET A 20 24.329 -2.706 -14.569 1.00 0.00 S ATOM 267 CE MET A 20 23.988 -1.340 -15.678 1.00 0.00 C ATOM 0 H MET A 20 24.839 -4.964 -12.714 1.00 0.00 H new ATOM 0 HA MET A 20 24.839 -5.720 -15.403 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.655 -4.246 -13.536 1.00 0.00 H new ATOM 0 HB3 MET A 20 27.370 -4.819 -15.030 1.00 0.00 H new ATOM 0 HG2 MET A 20 26.594 -2.542 -15.313 1.00 0.00 H new ATOM 0 HG3 MET A 20 25.659 -3.617 -16.333 1.00 0.00 H new ATOM 0 HE1 MET A 20 23.760 -0.447 -15.096 1.00 0.00 H new ATOM 0 HE2 MET A 20 24.861 -1.153 -16.303 1.00 0.00 H new ATOM 0 HE3 MET A 20 23.135 -1.589 -16.310 1.00 0.00 H new ATOM 277 N ASN A 21 26.810 -7.495 -13.473 1.00 0.00 N ATOM 278 CA ASN A 21 27.601 -8.712 -13.412 1.00 0.00 C ATOM 279 C ASN A 21 26.812 -9.908 -13.933 1.00 0.00 C ATOM 280 O ASN A 21 27.266 -10.618 -14.829 1.00 0.00 O ATOM 281 CB ASN A 21 28.074 -8.960 -11.988 1.00 0.00 C ATOM 282 CG ASN A 21 29.544 -8.643 -11.839 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.329 -8.833 -12.769 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.931 -8.140 -10.686 1.00 0.00 N ATOM 0 H ASN A 21 26.661 -7.045 -12.570 1.00 0.00 H new ATOM 0 HA ASN A 21 28.473 -8.584 -14.054 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.495 -8.347 -11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 21 27.894 -10.001 -11.718 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.910 -7.893 -10.540 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.252 -7.997 -9.938 1.00 0.00 H new ATOM 291 N SER A 22 25.621 -10.117 -13.383 1.00 0.00 N ATOM 292 CA SER A 22 24.766 -11.207 -13.799 1.00 0.00 C ATOM 293 C SER A 22 24.228 -10.980 -15.216 1.00 0.00 C ATOM 294 O SER A 22 23.913 -11.936 -15.930 1.00 0.00 O ATOM 295 CB SER A 22 23.623 -11.341 -12.802 1.00 0.00 C ATOM 296 OG SER A 22 24.120 -11.532 -11.485 1.00 0.00 O ATOM 0 H SER A 22 25.229 -9.536 -12.642 1.00 0.00 H new ATOM 0 HA SER A 22 25.345 -12.130 -13.819 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.000 -10.447 -12.834 1.00 0.00 H new ATOM 0 HB3 SER A 22 22.988 -12.182 -13.081 1.00 0.00 H new ATOM 0 HG SER A 22 24.440 -10.677 -11.129 1.00 0.00 H new ATOM 302 N PHE A 23 24.130 -9.713 -15.607 1.00 0.00 N ATOM 303 CA PHE A 23 23.706 -9.343 -16.953 1.00 0.00 C ATOM 304 C PHE A 23 24.655 -9.935 -17.989 1.00 0.00 C ATOM 305 O PHE A 23 24.238 -10.683 -18.878 1.00 0.00 O ATOM 306 CB PHE A 23 23.665 -7.813 -17.091 1.00 0.00 C ATOM 307 CG PHE A 23 23.273 -7.317 -18.459 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.943 -7.083 -18.770 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.235 -7.077 -19.430 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.582 -6.621 -20.023 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.879 -6.617 -20.681 1.00 0.00 C ATOM 312 CZ PHE A 23 22.552 -6.388 -20.978 1.00 0.00 C ATOM 0 H PHE A 23 24.341 -8.918 -15.004 1.00 0.00 H new ATOM 0 HA PHE A 23 22.706 -9.742 -17.126 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.963 -7.414 -16.359 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.647 -7.412 -16.841 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.181 -7.263 -18.027 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.276 -7.253 -19.203 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.542 -6.443 -20.254 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.639 -6.436 -21.427 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.272 -6.027 -21.956 1.00 0.00 H new ATOM 322 N MET A 24 25.938 -9.616 -17.846 1.00 0.00 N ATOM 323 CA MET A 24 26.948 -10.038 -18.809 1.00 0.00 C ATOM 324 C MET A 24 27.076 -11.556 -18.831 1.00 0.00 C ATOM 325 O MET A 24 27.350 -12.146 -19.876 1.00 0.00 O ATOM 326 CB MET A 24 28.315 -9.423 -18.485 1.00 0.00 C ATOM 327 CG MET A 24 28.301 -7.917 -18.264 1.00 0.00 C ATOM 328 SD MET A 24 27.486 -6.999 -19.586 1.00 0.00 S ATOM 329 CE MET A 24 28.386 -7.553 -21.031 1.00 0.00 C ATOM 0 H MET A 24 26.303 -9.065 -17.069 1.00 0.00 H new ATOM 0 HA MET A 24 26.625 -9.688 -19.789 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.711 -9.904 -17.591 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.002 -9.650 -19.300 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.799 -7.702 -17.321 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.327 -7.563 -18.167 1.00 0.00 H new ATOM 0 HE1 MET A 24 28.178 -6.885 -21.867 1.00 0.00 H new ATOM 0 HE2 MET A 24 29.455 -7.547 -20.818 1.00 0.00 H new ATOM 0 HE3 MET A 24 28.073 -8.565 -21.289 1.00 0.00 H new ATOM 339 N GLN A 25 26.873 -12.180 -17.671 1.00 0.00 N ATOM 340 CA GLN A 25 26.960 -13.635 -17.545 1.00 0.00 C ATOM 341 C GLN A 25 25.976 -14.334 -18.477 1.00 0.00 C ATOM 342 O GLN A 25 26.300 -15.356 -19.086 1.00 0.00 O ATOM 343 CB GLN A 25 26.683 -14.069 -16.104 1.00 0.00 C ATOM 344 CG GLN A 25 27.739 -13.623 -15.110 1.00 0.00 C ATOM 345 CD GLN A 25 27.381 -13.991 -13.683 1.00 0.00 C ATOM 346 OE1 GLN A 25 26.707 -14.990 -13.435 1.00 0.00 O ATOM 347 NE2 GLN A 25 27.828 -13.186 -12.735 1.00 0.00 N ATOM 0 H GLN A 25 26.646 -11.698 -16.801 1.00 0.00 H new ATOM 0 HA GLN A 25 27.973 -13.924 -17.825 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.717 -13.670 -15.795 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.605 -15.156 -16.072 1.00 0.00 H new ATOM 0 HG2 GLN A 25 28.695 -14.078 -15.371 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.869 -12.543 -15.182 1.00 0.00 H new ATOM 0 HE21 GLN A 25 28.384 -12.367 -12.982 1.00 0.00 H new ATOM 0 HE22 GLN A 25 27.617 -13.384 -11.757 1.00 0.00 H new ATOM 356 N GLY A 26 24.777 -13.782 -18.583 1.00 0.00 N ATOM 357 CA GLY A 26 23.753 -14.392 -19.407 1.00 0.00 C ATOM 358 C GLY A 26 23.811 -13.927 -20.847 1.00 0.00 C ATOM 359 O GLY A 26 23.499 -14.688 -21.761 1.00 0.00 O ATOM 0 H GLY A 26 24.494 -12.922 -18.113 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.863 -15.476 -19.374 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.772 -14.159 -18.993 1.00 0.00 H new ATOM 363 N LEU A 27 24.229 -12.682 -21.044 1.00 0.00 N ATOM 364 CA LEU A 27 24.241 -12.068 -22.370 1.00 0.00 C ATOM 365 C LEU A 27 25.221 -12.768 -23.306 1.00 0.00 C ATOM 366 O LEU A 27 24.954 -12.912 -24.496 1.00 0.00 O ATOM 367 CB LEU A 27 24.620 -10.591 -22.268 1.00 0.00 C ATOM 368 CG LEU A 27 24.398 -9.776 -23.543 1.00 0.00 C ATOM 369 CD1 LEU A 27 22.957 -9.306 -23.628 1.00 0.00 C ATOM 370 CD2 LEU A 27 25.358 -8.600 -23.602 1.00 0.00 C ATOM 0 H LEU A 27 24.566 -12.073 -20.298 1.00 0.00 H new ATOM 0 HA LEU A 27 23.236 -12.167 -22.781 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.044 -10.139 -21.461 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.671 -10.520 -21.988 1.00 0.00 H new ATOM 0 HG LEU A 27 24.598 -10.416 -24.402 1.00 0.00 H new ATOM 0 HD11 LEU A 27 22.816 -8.728 -24.541 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.293 -10.170 -23.640 1.00 0.00 H new ATOM 0 HD13 LEU A 27 22.726 -8.682 -22.764 1.00 0.00 H new ATOM 0 HD21 LEU A 27 25.183 -8.033 -24.517 1.00 0.00 H new ATOM 0 HD22 LEU A 27 25.196 -7.955 -22.739 1.00 0.00 H new ATOM 0 HD23 LEU A 27 26.384 -8.967 -23.593 1.00 0.00 H new ATOM 382 N SER A 28 26.351 -13.210 -22.768 1.00 0.00 N ATOM 383 CA SER A 28 27.386 -13.836 -23.574 1.00 0.00 C ATOM 384 C SER A 28 26.926 -15.185 -24.123 1.00 0.00 C ATOM 385 O SER A 28 27.573 -15.767 -24.991 1.00 0.00 O ATOM 386 CB SER A 28 28.648 -14.001 -22.733 1.00 0.00 C ATOM 387 OG SER A 28 28.345 -14.582 -21.476 1.00 0.00 O ATOM 0 H SER A 28 26.572 -13.145 -21.774 1.00 0.00 H new ATOM 0 HA SER A 28 27.599 -13.194 -24.429 1.00 0.00 H new ATOM 0 HB2 SER A 28 29.365 -14.627 -23.264 1.00 0.00 H new ATOM 0 HB3 SER A 28 29.121 -13.030 -22.585 1.00 0.00 H new ATOM 0 HG SER A 28 28.104 -13.877 -20.839 1.00 0.00 H new ATOM 393 N SER A 29 25.806 -15.675 -23.610 1.00 0.00 N ATOM 394 CA SER A 29 25.234 -16.923 -24.078 1.00 0.00 C ATOM 395 C SER A 29 24.131 -16.660 -25.102 1.00 0.00 C ATOM 396 O SER A 29 23.580 -17.592 -25.686 1.00 0.00 O ATOM 397 CB SER A 29 24.667 -17.704 -22.896 1.00 0.00 C ATOM 398 OG SER A 29 25.655 -17.916 -21.900 1.00 0.00 O ATOM 0 H SER A 29 25.275 -15.222 -22.866 1.00 0.00 H new ATOM 0 HA SER A 29 26.019 -17.508 -24.558 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.825 -17.160 -22.467 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.283 -18.664 -23.241 1.00 0.00 H new ATOM 0 HG SER A 29 25.265 -18.417 -21.154 1.00 0.00 H new ATOM 404 N MET A 30 23.818 -15.389 -25.318 1.00 0.00 N ATOM 405 CA MET A 30 22.708 -15.017 -26.174 1.00 0.00 C ATOM 406 C MET A 30 23.172 -14.731 -27.595 1.00 0.00 C ATOM 407 O MET A 30 24.129 -13.985 -27.814 1.00 0.00 O ATOM 408 CB MET A 30 21.992 -13.798 -25.601 1.00 0.00 C ATOM 409 CG MET A 30 21.482 -14.009 -24.188 1.00 0.00 C ATOM 410 SD MET A 30 20.550 -12.602 -23.567 1.00 0.00 S ATOM 411 CE MET A 30 19.997 -13.238 -21.990 1.00 0.00 C ATOM 0 H MET A 30 24.320 -14.600 -24.910 1.00 0.00 H new ATOM 0 HA MET A 30 22.016 -15.858 -26.211 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.674 -12.948 -25.610 1.00 0.00 H new ATOM 0 HB3 MET A 30 21.153 -13.541 -26.248 1.00 0.00 H new ATOM 0 HG2 MET A 30 20.850 -14.897 -24.163 1.00 0.00 H new ATOM 0 HG3 MET A 30 22.327 -14.200 -23.526 1.00 0.00 H new ATOM 0 HE1 MET A 30 19.025 -12.809 -21.745 1.00 0.00 H new ATOM 0 HE2 MET A 30 19.911 -14.323 -22.045 1.00 0.00 H new ATOM 0 HE3 MET A 30 20.717 -12.970 -21.217 1.00 0.00 H new ATOM 421 N PRO A 31 22.506 -15.348 -28.581 1.00 0.00 N ATOM 422 CA PRO A 31 22.780 -15.098 -29.993 1.00 0.00 C ATOM 423 C PRO A 31 22.199 -13.766 -30.458 1.00 0.00 C ATOM 424 O PRO A 31 21.010 -13.493 -30.275 1.00 0.00 O ATOM 425 CB PRO A 31 22.087 -16.264 -30.699 1.00 0.00 C ATOM 426 CG PRO A 31 20.972 -16.653 -29.789 1.00 0.00 C ATOM 427 CD PRO A 31 21.442 -16.353 -28.390 1.00 0.00 C ATOM 0 HA PRO A 31 23.848 -15.034 -30.203 1.00 0.00 H new ATOM 0 HB2 PRO A 31 21.713 -15.967 -31.679 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.775 -17.094 -30.859 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.066 -16.093 -30.023 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.731 -17.710 -29.900 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.633 -15.965 -27.771 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.821 -17.247 -27.895 1.00 0.00 H new ATOM 435 N GLY A 32 23.041 -12.933 -31.044 1.00 0.00 N ATOM 436 CA GLY A 32 22.592 -11.649 -31.529 1.00 0.00 C ATOM 437 C GLY A 32 23.714 -10.642 -31.557 1.00 0.00 C ATOM 438 O GLY A 32 24.032 -10.084 -32.607 1.00 0.00 O ATOM 0 H GLY A 32 24.032 -13.125 -31.193 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.179 -11.762 -32.531 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.787 -11.280 -30.893 1.00 0.00 H new ATOM 442 N PHE A 33 24.321 -10.414 -30.403 1.00 0.00 N ATOM 443 CA PHE A 33 25.448 -9.503 -30.306 1.00 0.00 C ATOM 444 C PHE A 33 26.749 -10.245 -30.585 1.00 0.00 C ATOM 445 O PHE A 33 26.868 -11.434 -30.293 1.00 0.00 O ATOM 446 CB PHE A 33 25.524 -8.873 -28.914 1.00 0.00 C ATOM 447 CG PHE A 33 24.351 -8.013 -28.548 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.270 -6.697 -28.984 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.339 -8.511 -27.745 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.202 -5.899 -28.628 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.266 -7.718 -27.388 1.00 0.00 C ATOM 452 CZ PHE A 33 22.199 -6.410 -27.828 1.00 0.00 C ATOM 0 H PHE A 33 24.051 -10.848 -29.520 1.00 0.00 H new ATOM 0 HA PHE A 33 25.305 -8.715 -31.046 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.618 -9.669 -28.175 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.431 -8.272 -28.852 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.052 -6.293 -29.609 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.389 -9.531 -27.394 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.151 -4.877 -28.974 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.480 -8.120 -26.766 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.363 -5.787 -27.546 1.00 0.00 H new ATOM 462 N THR A 34 27.711 -9.550 -31.161 1.00 0.00 N ATOM 463 CA THR A 34 29.033 -10.114 -31.360 1.00 0.00 C ATOM 464 C THR A 34 29.937 -9.709 -30.194 1.00 0.00 C ATOM 465 O THR A 34 29.566 -8.843 -29.399 1.00 0.00 O ATOM 466 CB THR A 34 29.645 -9.667 -32.711 1.00 0.00 C ATOM 467 OG1 THR A 34 30.956 -10.220 -32.877 1.00 0.00 O ATOM 468 CG2 THR A 34 29.708 -8.151 -32.816 1.00 0.00 C ATOM 0 H THR A 34 27.602 -8.594 -31.499 1.00 0.00 H new ATOM 0 HA THR A 34 28.947 -11.200 -31.391 1.00 0.00 H new ATOM 0 HB THR A 34 28.997 -10.039 -33.504 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.327 -9.929 -33.736 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.142 -7.870 -33.776 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.702 -7.739 -32.739 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.325 -7.756 -32.009 1.00 0.00 H new ATOM 476 N ALA A 35 31.109 -10.330 -30.096 1.00 0.00 N ATOM 477 CA ALA A 35 32.037 -10.071 -28.997 1.00 0.00 C ATOM 478 C ALA A 35 32.373 -8.586 -28.895 1.00 0.00 C ATOM 479 O ALA A 35 32.525 -8.047 -27.799 1.00 0.00 O ATOM 480 CB ALA A 35 33.305 -10.890 -29.179 1.00 0.00 C ATOM 0 H ALA A 35 31.441 -11.021 -30.769 1.00 0.00 H new ATOM 0 HA ALA A 35 31.553 -10.368 -28.067 1.00 0.00 H new ATOM 0 HB1 ALA A 35 33.989 -10.689 -28.355 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.054 -11.951 -29.192 1.00 0.00 H new ATOM 0 HB3 ALA A 35 33.782 -10.618 -30.121 1.00 0.00 H new ATOM 486 N SER A 36 32.463 -7.932 -30.046 1.00 0.00 N ATOM 487 CA SER A 36 32.741 -6.504 -30.104 1.00 0.00 C ATOM 488 C SER A 36 31.650 -5.710 -29.390 1.00 0.00 C ATOM 489 O SER A 36 31.937 -4.775 -28.645 1.00 0.00 O ATOM 490 CB SER A 36 32.841 -6.065 -31.563 1.00 0.00 C ATOM 491 OG SER A 36 33.626 -6.982 -32.305 1.00 0.00 O ATOM 0 H SER A 36 32.346 -8.373 -30.958 1.00 0.00 H new ATOM 0 HA SER A 36 33.687 -6.309 -29.599 1.00 0.00 H new ATOM 0 HB2 SER A 36 31.844 -5.997 -31.997 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.283 -5.070 -31.620 1.00 0.00 H new ATOM 0 HG SER A 36 33.679 -6.687 -33.238 1.00 0.00 H new ATOM 497 N GLN A 37 30.398 -6.108 -29.595 1.00 0.00 N ATOM 498 CA GLN A 37 29.275 -5.397 -29.002 1.00 0.00 C ATOM 499 C GLN A 37 29.253 -5.603 -27.494 1.00 0.00 C ATOM 500 O GLN A 37 28.887 -4.702 -26.742 1.00 0.00 O ATOM 501 CB GLN A 37 27.947 -5.851 -29.613 1.00 0.00 C ATOM 502 CG GLN A 37 27.867 -5.676 -31.122 1.00 0.00 C ATOM 503 CD GLN A 37 28.493 -4.380 -31.604 1.00 0.00 C ATOM 504 OE1 GLN A 37 29.673 -4.340 -31.953 1.00 0.00 O ATOM 505 NE2 GLN A 37 27.714 -3.315 -31.627 1.00 0.00 N ATOM 0 H GLN A 37 30.139 -6.914 -30.164 1.00 0.00 H new ATOM 0 HA GLN A 37 29.402 -4.335 -29.214 1.00 0.00 H new ATOM 0 HB2 GLN A 37 27.788 -6.902 -29.371 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.135 -5.291 -29.149 1.00 0.00 H new ATOM 0 HG2 GLN A 37 28.365 -6.516 -31.606 1.00 0.00 H new ATOM 0 HG3 GLN A 37 26.822 -5.705 -31.430 1.00 0.00 H new ATOM 0 HE21 GLN A 37 26.741 -3.388 -31.330 1.00 0.00 H new ATOM 0 HE22 GLN A 37 28.085 -2.419 -31.942 1.00 0.00 H new ATOM 514 N LEU A 38 29.652 -6.795 -27.060 1.00 0.00 N ATOM 515 CA LEU A 38 29.752 -7.099 -25.636 1.00 0.00 C ATOM 516 C LEU A 38 30.794 -6.214 -24.969 1.00 0.00 C ATOM 517 O LEU A 38 30.583 -5.717 -23.865 1.00 0.00 O ATOM 518 CB LEU A 38 30.117 -8.569 -25.409 1.00 0.00 C ATOM 519 CG LEU A 38 28.938 -9.533 -25.271 1.00 0.00 C ATOM 520 CD1 LEU A 38 28.106 -9.580 -26.542 1.00 0.00 C ATOM 521 CD2 LEU A 38 29.440 -10.920 -24.914 1.00 0.00 C ATOM 0 H LEU A 38 29.912 -7.567 -27.674 1.00 0.00 H new ATOM 0 HA LEU A 38 28.776 -6.905 -25.192 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.739 -8.902 -26.240 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.726 -8.638 -24.507 1.00 0.00 H new ATOM 0 HG LEU A 38 28.295 -9.168 -24.470 1.00 0.00 H new ATOM 0 HD11 LEU A 38 27.277 -10.275 -26.409 1.00 0.00 H new ATOM 0 HD12 LEU A 38 27.715 -8.586 -26.758 1.00 0.00 H new ATOM 0 HD13 LEU A 38 28.729 -9.913 -27.372 1.00 0.00 H new ATOM 0 HD21 LEU A 38 28.593 -11.600 -24.818 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.106 -11.279 -25.699 1.00 0.00 H new ATOM 0 HD23 LEU A 38 29.981 -10.879 -23.969 1.00 0.00 H new ATOM 533 N ASP A 39 31.911 -6.018 -25.656 1.00 0.00 N ATOM 534 CA ASP A 39 33.011 -5.219 -25.132 1.00 0.00 C ATOM 535 C ASP A 39 32.585 -3.769 -24.931 1.00 0.00 C ATOM 536 O ASP A 39 32.848 -3.170 -23.884 1.00 0.00 O ATOM 537 CB ASP A 39 34.206 -5.291 -26.076 1.00 0.00 C ATOM 538 CG ASP A 39 35.437 -4.615 -25.509 1.00 0.00 C ATOM 539 OD1 ASP A 39 36.000 -5.131 -24.519 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.858 -3.576 -26.055 1.00 0.00 O ATOM 0 H ASP A 39 32.080 -6.405 -26.585 1.00 0.00 H new ATOM 0 HA ASP A 39 33.298 -5.626 -24.162 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.435 -6.335 -26.288 1.00 0.00 H new ATOM 0 HB3 ASP A 39 33.944 -4.823 -27.025 1.00 0.00 H new ATOM 545 N ASP A 40 31.907 -3.214 -25.928 1.00 0.00 N ATOM 546 CA ASP A 40 31.416 -1.847 -25.851 1.00 0.00 C ATOM 547 C ASP A 40 30.327 -1.727 -24.792 1.00 0.00 C ATOM 548 O ASP A 40 30.336 -0.804 -23.980 1.00 0.00 O ATOM 549 CB ASP A 40 30.880 -1.391 -27.209 1.00 0.00 C ATOM 550 CG ASP A 40 31.950 -0.774 -28.088 1.00 0.00 C ATOM 551 OD1 ASP A 40 32.645 -1.522 -28.805 1.00 0.00 O ATOM 552 OD2 ASP A 40 32.094 0.467 -28.071 1.00 0.00 O ATOM 0 H ASP A 40 31.685 -3.693 -26.801 1.00 0.00 H new ATOM 0 HA ASP A 40 32.249 -1.203 -25.570 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.440 -2.244 -27.725 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.081 -0.666 -27.054 1.00 0.00 H new ATOM 557 N MET A 41 29.408 -2.685 -24.789 1.00 0.00 N ATOM 558 CA MET A 41 28.296 -2.675 -23.857 1.00 0.00 C ATOM 559 C MET A 41 28.791 -2.796 -22.420 1.00 0.00 C ATOM 560 O MET A 41 28.302 -2.103 -21.529 1.00 0.00 O ATOM 561 CB MET A 41 27.332 -3.810 -24.193 1.00 0.00 C ATOM 562 CG MET A 41 26.040 -3.761 -23.404 1.00 0.00 C ATOM 563 SD MET A 41 24.825 -4.969 -23.968 1.00 0.00 S ATOM 564 CE MET A 41 24.520 -4.400 -25.640 1.00 0.00 C ATOM 0 H MET A 41 29.415 -3.481 -25.427 1.00 0.00 H new ATOM 0 HA MET A 41 27.770 -1.725 -23.949 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.100 -3.775 -25.257 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.827 -4.763 -24.006 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.257 -3.937 -22.350 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.612 -2.761 -23.479 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.487 -4.615 -25.915 1.00 0.00 H new ATOM 0 HE2 MET A 41 24.695 -3.326 -25.696 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.192 -4.913 -26.327 1.00 0.00 H new ATOM 574 N SER A 42 29.777 -3.657 -22.208 1.00 0.00 N ATOM 575 CA SER A 42 30.369 -3.838 -20.890 1.00 0.00 C ATOM 576 C SER A 42 30.990 -2.530 -20.407 1.00 0.00 C ATOM 577 O SER A 42 30.835 -2.145 -19.246 1.00 0.00 O ATOM 578 CB SER A 42 31.425 -4.948 -20.934 1.00 0.00 C ATOM 579 OG SER A 42 31.944 -5.222 -19.645 1.00 0.00 O ATOM 0 H SER A 42 30.185 -4.244 -22.936 1.00 0.00 H new ATOM 0 HA SER A 42 29.587 -4.130 -20.189 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.985 -5.854 -21.350 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.237 -4.653 -21.599 1.00 0.00 H new ATOM 0 HG SER A 42 32.613 -5.935 -19.707 1.00 0.00 H new ATOM 585 N THR A 43 31.665 -1.839 -21.317 1.00 0.00 N ATOM 586 CA THR A 43 32.293 -0.564 -21.007 1.00 0.00 C ATOM 587 C THR A 43 31.248 0.475 -20.597 1.00 0.00 C ATOM 588 O THR A 43 31.433 1.207 -19.621 1.00 0.00 O ATOM 589 CB THR A 43 33.094 -0.043 -22.216 1.00 0.00 C ATOM 590 OG1 THR A 43 34.036 -1.040 -22.637 1.00 0.00 O ATOM 591 CG2 THR A 43 33.834 1.242 -21.870 1.00 0.00 C ATOM 0 H THR A 43 31.791 -2.144 -22.282 1.00 0.00 H new ATOM 0 HA THR A 43 32.974 -0.725 -20.172 1.00 0.00 H new ATOM 0 HB THR A 43 32.394 0.170 -23.024 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.559 -1.777 -23.073 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.391 1.587 -22.741 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.116 2.006 -21.572 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.526 1.054 -21.049 1.00 0.00 H new ATOM 599 N ILE A 44 30.141 0.522 -21.330 1.00 0.00 N ATOM 600 CA ILE A 44 29.061 1.447 -21.008 1.00 0.00 C ATOM 601 C ILE A 44 28.430 1.069 -19.675 1.00 0.00 C ATOM 602 O ILE A 44 28.079 1.932 -18.868 1.00 0.00 O ATOM 603 CB ILE A 44 27.966 1.464 -22.092 1.00 0.00 C ATOM 604 CG1 ILE A 44 28.567 1.758 -23.470 1.00 0.00 C ATOM 605 CG2 ILE A 44 26.902 2.493 -21.741 1.00 0.00 C ATOM 606 CD1 ILE A 44 29.356 3.048 -23.531 1.00 0.00 C ATOM 0 H ILE A 44 29.968 -0.065 -22.146 1.00 0.00 H new ATOM 0 HA ILE A 44 29.500 2.443 -20.952 1.00 0.00 H new ATOM 0 HB ILE A 44 27.502 0.478 -22.132 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.218 0.932 -23.756 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.763 1.800 -24.205 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.132 2.498 -22.513 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.452 2.238 -20.781 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.358 3.481 -21.677 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.750 3.186 -24.538 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.705 3.885 -23.277 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.182 3.003 -22.821 1.00 0.00 H new ATOM 618 N ALA A 45 28.304 -0.232 -19.451 1.00 0.00 N ATOM 619 CA ALA A 45 27.795 -0.748 -18.191 1.00 0.00 C ATOM 620 C ALA A 45 28.652 -0.258 -17.031 1.00 0.00 C ATOM 621 O ALA A 45 28.135 0.078 -15.965 1.00 0.00 O ATOM 622 CB ALA A 45 27.754 -2.267 -18.222 1.00 0.00 C ATOM 0 H ALA A 45 28.549 -0.952 -20.131 1.00 0.00 H new ATOM 0 HA ALA A 45 26.780 -0.378 -18.047 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.371 -2.640 -17.272 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.102 -2.597 -19.031 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.760 -2.655 -18.385 1.00 0.00 H new ATOM 628 N GLN A 46 29.962 -0.198 -17.255 1.00 0.00 N ATOM 629 CA GLN A 46 30.884 0.302 -16.243 1.00 0.00 C ATOM 630 C GLN A 46 30.597 1.768 -15.939 1.00 0.00 C ATOM 631 O GLN A 46 30.660 2.192 -14.784 1.00 0.00 O ATOM 632 CB GLN A 46 32.343 0.151 -16.694 1.00 0.00 C ATOM 633 CG GLN A 46 32.767 -1.278 -17.000 1.00 0.00 C ATOM 634 CD GLN A 46 32.312 -2.270 -15.949 1.00 0.00 C ATOM 635 OE1 GLN A 46 32.978 -2.474 -14.937 1.00 0.00 O ATOM 636 NE2 GLN A 46 31.193 -2.926 -16.208 1.00 0.00 N ATOM 0 H GLN A 46 30.407 -0.489 -18.126 1.00 0.00 H new ATOM 0 HA GLN A 46 30.736 -0.292 -15.342 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.499 0.761 -17.584 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.993 0.550 -15.916 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.362 -1.572 -17.968 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.853 -1.319 -17.084 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.670 -2.726 -17.061 1.00 0.00 H new ATOM 0 HE22 GLN A 46 30.853 -3.632 -15.555 1.00 0.00 H new ATOM 645 N SER A 47 30.259 2.529 -16.976 1.00 0.00 N ATOM 646 CA SER A 47 29.969 3.947 -16.821 1.00 0.00 C ATOM 647 C SER A 47 28.710 4.126 -15.981 1.00 0.00 C ATOM 648 O SER A 47 28.647 4.991 -15.105 1.00 0.00 O ATOM 649 CB SER A 47 29.800 4.603 -18.196 1.00 0.00 C ATOM 650 OG SER A 47 29.655 6.009 -18.089 1.00 0.00 O ATOM 0 H SER A 47 30.180 2.185 -17.933 1.00 0.00 H new ATOM 0 HA SER A 47 30.801 4.431 -16.310 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.664 4.372 -18.819 1.00 0.00 H new ATOM 0 HB3 SER A 47 28.926 4.183 -18.695 1.00 0.00 H new ATOM 0 HG SER A 47 29.551 6.396 -18.983 1.00 0.00 H new ATOM 656 N MET A 48 27.719 3.278 -16.238 1.00 0.00 N ATOM 657 CA MET A 48 26.481 3.283 -15.470 1.00 0.00 C ATOM 658 C MET A 48 26.766 3.015 -13.999 1.00 0.00 C ATOM 659 O MET A 48 26.308 3.751 -13.126 1.00 0.00 O ATOM 660 CB MET A 48 25.512 2.230 -16.007 1.00 0.00 C ATOM 661 CG MET A 48 24.998 2.522 -17.408 1.00 0.00 C ATOM 662 SD MET A 48 23.980 4.011 -17.485 1.00 0.00 S ATOM 663 CE MET A 48 22.652 3.577 -16.364 1.00 0.00 C ATOM 0 H MET A 48 27.751 2.575 -16.977 1.00 0.00 H new ATOM 0 HA MET A 48 26.024 4.268 -15.570 1.00 0.00 H new ATOM 0 HB2 MET A 48 26.009 1.260 -16.008 1.00 0.00 H new ATOM 0 HB3 MET A 48 24.663 2.152 -15.328 1.00 0.00 H new ATOM 0 HG2 MET A 48 25.845 2.631 -18.085 1.00 0.00 H new ATOM 0 HG3 MET A 48 24.416 1.671 -17.761 1.00 0.00 H new ATOM 0 HE1 MET A 48 21.805 4.243 -16.528 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.344 2.547 -16.546 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.998 3.676 -15.335 1.00 0.00 H new ATOM 673 N VAL A 49 27.543 1.966 -13.734 1.00 0.00 N ATOM 674 CA VAL A 49 27.881 1.588 -12.365 1.00 0.00 C ATOM 675 C VAL A 49 28.605 2.724 -11.648 1.00 0.00 C ATOM 676 O VAL A 49 28.242 3.090 -10.531 1.00 0.00 O ATOM 677 CB VAL A 49 28.755 0.313 -12.326 1.00 0.00 C ATOM 678 CG1 VAL A 49 29.151 -0.029 -10.897 1.00 0.00 C ATOM 679 CG2 VAL A 49 28.022 -0.855 -12.969 1.00 0.00 C ATOM 0 H VAL A 49 27.950 1.364 -14.450 1.00 0.00 H new ATOM 0 HA VAL A 49 26.943 1.380 -11.851 1.00 0.00 H new ATOM 0 HB VAL A 49 29.665 0.507 -12.894 1.00 0.00 H new ATOM 0 HG11 VAL A 49 29.765 -0.929 -10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.718 0.798 -10.469 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.254 -0.201 -10.302 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.652 -1.744 -12.933 1.00 0.00 H new ATOM 0 HG22 VAL A 49 27.095 -1.045 -12.428 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.794 -0.614 -14.007 1.00 0.00 H new ATOM 689 N GLN A 50 29.604 3.299 -12.306 1.00 0.00 N ATOM 690 CA GLN A 50 30.397 4.367 -11.708 1.00 0.00 C ATOM 691 C GLN A 50 29.551 5.605 -11.427 1.00 0.00 C ATOM 692 O GLN A 50 29.808 6.334 -10.465 1.00 0.00 O ATOM 693 CB GLN A 50 31.584 4.728 -12.598 1.00 0.00 C ATOM 694 CG GLN A 50 32.629 3.629 -12.677 1.00 0.00 C ATOM 695 CD GLN A 50 33.177 3.244 -11.314 1.00 0.00 C ATOM 696 OE1 GLN A 50 34.143 3.833 -10.831 1.00 0.00 O ATOM 697 NE2 GLN A 50 32.570 2.245 -10.689 1.00 0.00 N ATOM 0 H GLN A 50 29.885 3.044 -13.253 1.00 0.00 H new ATOM 0 HA GLN A 50 30.775 3.995 -10.756 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.223 4.950 -13.602 1.00 0.00 H new ATOM 0 HB3 GLN A 50 32.050 5.637 -12.219 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.191 2.750 -13.150 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.450 3.958 -13.314 1.00 0.00 H new ATOM 0 HE21 GLN A 50 31.772 1.782 -11.123 1.00 0.00 H new ATOM 0 HE22 GLN A 50 32.901 1.939 -9.774 1.00 0.00 H new ATOM 706 N SER A 51 28.540 5.835 -12.253 1.00 0.00 N ATOM 707 CA SER A 51 27.642 6.958 -12.047 1.00 0.00 C ATOM 708 C SER A 51 26.831 6.745 -10.768 1.00 0.00 C ATOM 709 O SER A 51 26.723 7.638 -9.925 1.00 0.00 O ATOM 710 CB SER A 51 26.716 7.129 -13.256 1.00 0.00 C ATOM 711 OG SER A 51 25.921 8.296 -13.135 1.00 0.00 O ATOM 0 H SER A 51 28.323 5.261 -13.068 1.00 0.00 H new ATOM 0 HA SER A 51 28.230 7.870 -11.939 1.00 0.00 H new ATOM 0 HB2 SER A 51 27.311 7.185 -14.168 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.071 6.255 -13.349 1.00 0.00 H new ATOM 0 HG SER A 51 25.342 8.380 -13.921 1.00 0.00 H new ATOM 717 N ILE A 52 26.302 5.538 -10.617 1.00 0.00 N ATOM 718 CA ILE A 52 25.525 5.173 -9.440 1.00 0.00 C ATOM 719 C ILE A 52 26.402 5.191 -8.188 1.00 0.00 C ATOM 720 O ILE A 52 25.978 5.655 -7.128 1.00 0.00 O ATOM 721 CB ILE A 52 24.889 3.782 -9.626 1.00 0.00 C ATOM 722 CG1 ILE A 52 23.992 3.792 -10.867 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.096 3.378 -8.389 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.572 2.418 -11.324 1.00 0.00 C ATOM 0 H ILE A 52 26.398 4.789 -11.302 1.00 0.00 H new ATOM 0 HA ILE A 52 24.729 5.907 -9.314 1.00 0.00 H new ATOM 0 HB ILE A 52 25.681 3.046 -9.765 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.101 4.383 -10.655 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.519 4.290 -11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.657 2.393 -8.544 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.760 3.347 -7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.303 4.105 -8.212 1.00 0.00 H new ATOM 0 HD11 ILE A 52 22.939 2.506 -12.207 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.456 1.830 -11.569 1.00 0.00 H new ATOM 0 HD13 ILE A 52 23.016 1.924 -10.527 1.00 0.00 H new ATOM 736 N GLN A 53 27.637 4.706 -8.328 1.00 0.00 N ATOM 737 CA GLN A 53 28.617 4.774 -7.247 1.00 0.00 C ATOM 738 C GLN A 53 28.759 6.213 -6.759 1.00 0.00 C ATOM 739 O GLN A 53 28.747 6.482 -5.559 1.00 0.00 O ATOM 740 CB GLN A 53 29.983 4.268 -7.719 1.00 0.00 C ATOM 741 CG GLN A 53 30.024 2.787 -8.061 1.00 0.00 C ATOM 742 CD GLN A 53 29.865 1.890 -6.848 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.232 2.258 -5.733 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.335 0.694 -7.063 1.00 0.00 N ATOM 0 H GLN A 53 27.981 4.262 -9.180 1.00 0.00 H new ATOM 0 HA GLN A 53 28.266 4.141 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.284 4.839 -8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.719 4.469 -6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.233 2.564 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 53 30.971 2.560 -8.552 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.043 0.427 -8.003 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.219 0.041 -6.288 1.00 0.00 H new ATOM 753 N SER A 54 28.872 7.133 -7.710 1.00 0.00 N ATOM 754 CA SER A 54 29.019 8.547 -7.403 1.00 0.00 C ATOM 755 C SER A 54 27.758 9.092 -6.739 1.00 0.00 C ATOM 756 O SER A 54 27.831 9.757 -5.708 1.00 0.00 O ATOM 757 CB SER A 54 29.320 9.331 -8.680 1.00 0.00 C ATOM 758 OG SER A 54 30.466 8.810 -9.338 1.00 0.00 O ATOM 0 H SER A 54 28.864 6.920 -8.708 1.00 0.00 H new ATOM 0 HA SER A 54 29.850 8.663 -6.707 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.461 9.287 -9.349 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.482 10.381 -8.437 1.00 0.00 H new ATOM 0 HG SER A 54 30.248 7.941 -9.736 1.00 0.00 H new ATOM 764 N LEU A 55 26.600 8.787 -7.319 1.00 0.00 N ATOM 765 CA LEU A 55 25.330 9.283 -6.817 1.00 0.00 C ATOM 766 C LEU A 55 25.096 8.882 -5.363 1.00 0.00 C ATOM 767 O LEU A 55 24.576 9.671 -4.574 1.00 0.00 O ATOM 768 CB LEU A 55 24.189 8.771 -7.692 1.00 0.00 C ATOM 769 CG LEU A 55 24.088 9.409 -9.078 1.00 0.00 C ATOM 770 CD1 LEU A 55 22.992 8.741 -9.891 1.00 0.00 C ATOM 771 CD2 LEU A 55 23.823 10.903 -8.955 1.00 0.00 C ATOM 0 H LEU A 55 26.520 8.193 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 55 25.361 10.372 -6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.303 7.694 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 55 23.249 8.935 -7.166 1.00 0.00 H new ATOM 0 HG LEU A 55 25.037 9.267 -9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.933 9.207 -10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.218 7.681 -10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 55 22.037 8.855 -9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 55 23.754 11.343 -9.950 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.886 11.064 -8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 55 24.639 11.373 -8.406 1.00 0.00 H new ATOM 783 N ALA A 56 25.500 7.669 -5.009 1.00 0.00 N ATOM 784 CA ALA A 56 25.303 7.161 -3.655 1.00 0.00 C ATOM 785 C ALA A 56 26.272 7.805 -2.665 1.00 0.00 C ATOM 786 O ALA A 56 25.970 7.925 -1.477 1.00 0.00 O ATOM 787 CB ALA A 56 25.450 5.648 -3.631 1.00 0.00 C ATOM 0 H ALA A 56 25.966 7.017 -5.640 1.00 0.00 H new ATOM 0 HA ALA A 56 24.291 7.425 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.300 5.284 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 56 24.707 5.200 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 56 26.449 5.374 -3.971 1.00 0.00 H new ATOM 793 N ALA A 57 27.422 8.249 -3.156 1.00 0.00 N ATOM 794 CA ALA A 57 28.428 8.843 -2.294 1.00 0.00 C ATOM 795 C ALA A 57 28.147 10.323 -2.164 1.00 0.00 C ATOM 796 O ALA A 57 28.394 10.934 -1.125 1.00 0.00 O ATOM 797 CB ALA A 57 29.825 8.606 -2.847 1.00 0.00 C ATOM 0 H ALA A 57 27.678 8.208 -4.143 1.00 0.00 H new ATOM 0 HA ALA A 57 28.383 8.376 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.561 9.060 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 57 30.012 7.534 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.905 9.053 -3.838 1.00 0.00 H new ATOM 803 N GLN A 58 27.597 10.884 -3.231 1.00 0.00 N ATOM 804 CA GLN A 58 27.211 12.279 -3.245 1.00 0.00 C ATOM 805 C GLN A 58 25.867 12.477 -2.548 1.00 0.00 C ATOM 806 O GLN A 58 25.496 13.599 -2.207 1.00 0.00 O ATOM 807 CB GLN A 58 27.141 12.794 -4.684 1.00 0.00 C ATOM 808 CG GLN A 58 28.485 12.780 -5.396 1.00 0.00 C ATOM 809 CD GLN A 58 28.365 13.025 -6.889 1.00 0.00 C ATOM 810 OE1 GLN A 58 27.263 12.588 -7.480 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 29.265 13.586 -7.509 1.00 0.00 N flip ATOM 0 H GLN A 58 27.409 10.387 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 58 27.966 12.848 -2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.434 12.184 -5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 58 26.751 13.812 -4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 58 29.130 13.542 -4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 58 28.969 11.818 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 58 30.099 13.908 -7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 58 29.179 13.729 -8.515 1.00 0.00 H new ATOM 820 N GLY A 59 25.145 11.380 -2.343 1.00 0.00 N ATOM 821 CA GLY A 59 23.852 11.444 -1.689 1.00 0.00 C ATOM 822 C GLY A 59 22.801 12.081 -2.573 1.00 0.00 C ATOM 823 O GLY A 59 22.039 12.941 -2.130 1.00 0.00 O ATOM 0 H GLY A 59 25.435 10.442 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.534 10.438 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.941 12.013 -0.764 1.00 0.00 H new ATOM 827 N ARG A 60 22.769 11.670 -3.834 1.00 0.00 N ATOM 828 CA ARG A 60 21.831 12.237 -4.794 1.00 0.00 C ATOM 829 C ARG A 60 20.988 11.154 -5.450 1.00 0.00 C ATOM 830 O ARG A 60 20.326 11.396 -6.456 1.00 0.00 O ATOM 831 CB ARG A 60 22.572 13.051 -5.852 1.00 0.00 C ATOM 832 CG ARG A 60 23.224 14.297 -5.284 1.00 0.00 C ATOM 833 CD ARG A 60 23.590 15.278 -6.377 1.00 0.00 C ATOM 834 NE ARG A 60 24.126 16.527 -5.832 1.00 0.00 N ATOM 835 CZ ARG A 60 23.474 17.692 -5.847 1.00 0.00 C ATOM 836 NH1 ARG A 60 22.256 17.776 -6.372 1.00 0.00 N ATOM 837 NH2 ARG A 60 24.043 18.774 -5.333 1.00 0.00 N ATOM 0 H ARG A 60 23.380 10.948 -4.215 1.00 0.00 H new ATOM 0 HA ARG A 60 21.159 12.901 -4.250 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.335 12.426 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 60 21.874 13.338 -6.638 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.545 14.774 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 60 24.119 14.019 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 60 24.327 14.825 -7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 60 22.709 15.494 -6.981 1.00 0.00 H new ATOM 0 HE ARG A 60 25.056 16.506 -5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 60 21.813 16.947 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 60 21.764 18.670 -6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 60 24.977 18.715 -4.927 1.00 0.00 H new ATOM 0 HH22 ARG A 60 23.547 19.665 -5.343 1.00 0.00 H new ATOM 851 N THR A 61 21.000 9.969 -4.871 1.00 0.00 N ATOM 852 CA THR A 61 20.202 8.867 -5.377 1.00 0.00 C ATOM 853 C THR A 61 18.731 9.048 -5.005 1.00 0.00 C ATOM 854 O THR A 61 18.382 9.144 -3.830 1.00 0.00 O ATOM 855 CB THR A 61 20.725 7.528 -4.828 1.00 0.00 C ATOM 856 OG1 THR A 61 21.420 7.753 -3.590 1.00 0.00 O ATOM 857 CG2 THR A 61 21.653 6.851 -5.825 1.00 0.00 C ATOM 0 H THR A 61 21.556 9.743 -4.046 1.00 0.00 H new ATOM 0 HA THR A 61 20.286 8.858 -6.464 1.00 0.00 H new ATOM 0 HB THR A 61 19.873 6.870 -4.657 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.751 6.899 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.007 5.907 -5.410 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.113 6.660 -6.753 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.505 7.500 -6.028 1.00 0.00 H new ATOM 865 N SER A 62 17.874 9.095 -6.015 1.00 0.00 N ATOM 866 CA SER A 62 16.457 9.359 -5.809 1.00 0.00 C ATOM 867 C SER A 62 15.642 8.721 -6.938 1.00 0.00 C ATOM 868 O SER A 62 16.161 8.533 -8.038 1.00 0.00 O ATOM 869 CB SER A 62 16.233 10.880 -5.765 1.00 0.00 C ATOM 870 OG SER A 62 14.907 11.215 -5.391 1.00 0.00 O ATOM 0 H SER A 62 18.137 8.953 -6.990 1.00 0.00 H new ATOM 0 HA SER A 62 16.129 8.925 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.932 11.328 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.451 11.306 -6.744 1.00 0.00 H new ATOM 0 HG SER A 62 14.849 12.178 -5.219 1.00 0.00 H new ATOM 876 N PRO A 63 14.370 8.357 -6.687 1.00 0.00 N ATOM 877 CA PRO A 63 13.492 7.782 -7.714 1.00 0.00 C ATOM 878 C PRO A 63 13.388 8.668 -8.958 1.00 0.00 C ATOM 879 O PRO A 63 13.435 8.176 -10.085 1.00 0.00 O ATOM 880 CB PRO A 63 12.127 7.668 -7.018 1.00 0.00 C ATOM 881 CG PRO A 63 12.241 8.491 -5.777 1.00 0.00 C ATOM 882 CD PRO A 63 13.689 8.452 -5.388 1.00 0.00 C ATOM 0 HA PRO A 63 13.874 6.827 -8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.327 8.036 -7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.893 6.630 -6.780 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.912 9.515 -5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.612 8.089 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.985 9.346 -4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.914 7.598 -4.749 1.00 0.00 H new ATOM 890 N ASN A 64 13.280 9.979 -8.750 1.00 0.00 N ATOM 891 CA ASN A 64 13.167 10.924 -9.864 1.00 0.00 C ATOM 892 C ASN A 64 14.528 11.172 -10.505 1.00 0.00 C ATOM 893 O ASN A 64 14.638 11.849 -11.528 1.00 0.00 O ATOM 894 CB ASN A 64 12.559 12.257 -9.406 1.00 0.00 C ATOM 895 CG ASN A 64 13.351 12.913 -8.288 1.00 0.00 C ATOM 896 OD1 ASN A 64 14.353 13.588 -8.527 1.00 0.00 O ATOM 897 ND2 ASN A 64 12.887 12.744 -7.060 1.00 0.00 N ATOM 0 H ASN A 64 13.268 10.411 -7.826 1.00 0.00 H new ATOM 0 HA ASN A 64 12.503 10.477 -10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.506 12.938 -10.256 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.536 12.088 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.363 13.181 -6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.054 12.177 -6.903 1.00 0.00 H new ATOM 904 N LYS A 65 15.559 10.616 -9.893 1.00 0.00 N ATOM 905 CA LYS A 65 16.901 10.696 -10.411 1.00 0.00 C ATOM 906 C LYS A 65 17.156 9.511 -11.334 1.00 0.00 C ATOM 907 O LYS A 65 17.593 9.666 -12.473 1.00 0.00 O ATOM 908 CB LYS A 65 17.876 10.667 -9.239 1.00 0.00 C ATOM 909 CG LYS A 65 19.325 10.672 -9.652 1.00 0.00 C ATOM 910 CD LYS A 65 19.946 12.044 -9.466 1.00 0.00 C ATOM 911 CE LYS A 65 19.248 13.097 -10.316 1.00 0.00 C ATOM 912 NZ LYS A 65 19.747 14.467 -10.044 1.00 0.00 N ATOM 0 H LYS A 65 15.482 10.095 -9.019 1.00 0.00 H new ATOM 0 HA LYS A 65 17.036 11.618 -10.976 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.687 11.530 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.682 9.778 -8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 65 19.876 9.938 -9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.409 10.371 -10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.891 12.329 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 65 21.003 12.004 -9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.394 12.863 -11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.175 13.060 -10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.241 15.147 -10.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 19.585 14.703 -9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 20.765 14.513 -10.250 1.00 0.00 H new ATOM 926 N LEU A 66 16.830 8.332 -10.824 1.00 0.00 N ATOM 927 CA LEU A 66 17.103 7.072 -11.501 1.00 0.00 C ATOM 928 C LEU A 66 16.260 6.913 -12.758 1.00 0.00 C ATOM 929 O LEU A 66 16.655 6.229 -13.700 1.00 0.00 O ATOM 930 CB LEU A 66 16.829 5.918 -10.547 1.00 0.00 C ATOM 931 CG LEU A 66 17.550 6.014 -9.202 1.00 0.00 C ATOM 932 CD1 LEU A 66 17.248 4.798 -8.351 1.00 0.00 C ATOM 933 CD2 LEU A 66 19.052 6.174 -9.396 1.00 0.00 C ATOM 0 H LEU A 66 16.365 8.222 -9.923 1.00 0.00 H new ATOM 0 HA LEU A 66 18.150 7.069 -11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.756 5.862 -10.365 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.119 4.986 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 66 17.183 6.900 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.769 4.883 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.174 4.736 -8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 66 17.583 3.899 -8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.540 6.240 -8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.442 5.314 -9.940 1.00 0.00 H new ATOM 0 HD23 LEU A 66 19.251 7.083 -9.964 1.00 0.00 H new ATOM 945 N GLN A 67 15.095 7.547 -12.760 1.00 0.00 N ATOM 946 CA GLN A 67 14.202 7.516 -13.916 1.00 0.00 C ATOM 947 C GLN A 67 14.913 8.030 -15.168 1.00 0.00 C ATOM 948 O GLN A 67 14.665 7.559 -16.278 1.00 0.00 O ATOM 949 CB GLN A 67 12.923 8.325 -13.637 1.00 0.00 C ATOM 950 CG GLN A 67 13.127 9.825 -13.444 1.00 0.00 C ATOM 951 CD GLN A 67 13.113 10.606 -14.746 1.00 0.00 C ATOM 952 OE1 GLN A 67 12.457 10.217 -15.712 1.00 0.00 O ATOM 953 NE2 GLN A 67 13.830 11.718 -14.778 1.00 0.00 N ATOM 0 H GLN A 67 14.743 8.091 -11.972 1.00 0.00 H new ATOM 0 HA GLN A 67 13.914 6.480 -14.096 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.230 8.173 -14.464 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.446 7.922 -12.743 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.345 10.210 -12.789 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.078 9.993 -12.938 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.360 12.007 -13.956 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.852 12.286 -15.625 1.00 0.00 H new ATOM 962 N ALA A 68 15.811 8.984 -14.973 1.00 0.00 N ATOM 963 CA ALA A 68 16.582 9.544 -16.074 1.00 0.00 C ATOM 964 C ALA A 68 17.591 8.530 -16.594 1.00 0.00 C ATOM 965 O ALA A 68 17.806 8.412 -17.801 1.00 0.00 O ATOM 966 CB ALA A 68 17.286 10.820 -15.635 1.00 0.00 C ATOM 0 H ALA A 68 16.024 9.388 -14.061 1.00 0.00 H new ATOM 0 HA ALA A 68 15.895 9.789 -16.884 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.858 11.226 -16.470 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.545 11.552 -15.313 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.960 10.598 -14.808 1.00 0.00 H new ATOM 972 N LEU A 69 18.196 7.787 -15.673 1.00 0.00 N ATOM 973 CA LEU A 69 19.160 6.756 -16.021 1.00 0.00 C ATOM 974 C LEU A 69 18.515 5.683 -16.888 1.00 0.00 C ATOM 975 O LEU A 69 19.178 5.086 -17.726 1.00 0.00 O ATOM 976 CB LEU A 69 19.747 6.119 -14.757 1.00 0.00 C ATOM 977 CG LEU A 69 20.806 6.943 -14.006 1.00 0.00 C ATOM 978 CD1 LEU A 69 22.036 7.155 -14.874 1.00 0.00 C ATOM 979 CD2 LEU A 69 20.250 8.280 -13.538 1.00 0.00 C ATOM 0 H LEU A 69 18.032 7.884 -14.671 1.00 0.00 H new ATOM 0 HA LEU A 69 19.964 7.226 -16.587 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.928 5.907 -14.069 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.190 5.161 -15.031 1.00 0.00 H new ATOM 0 HG LEU A 69 21.094 6.376 -13.121 1.00 0.00 H new ATOM 0 HD11 LEU A 69 22.773 7.740 -14.324 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.465 6.189 -15.140 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.753 7.688 -15.782 1.00 0.00 H new ATOM 0 HD21 LEU A 69 21.028 8.833 -13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 69 19.915 8.857 -14.400 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.409 8.109 -12.866 1.00 0.00 H new ATOM 991 N ASN A 70 17.221 5.455 -16.685 1.00 0.00 N ATOM 992 CA ASN A 70 16.462 4.479 -17.476 1.00 0.00 C ATOM 993 C ASN A 70 16.559 4.817 -18.963 1.00 0.00 C ATOM 994 O ASN A 70 17.001 4.000 -19.773 1.00 0.00 O ATOM 995 CB ASN A 70 14.994 4.475 -17.003 1.00 0.00 C ATOM 996 CG ASN A 70 14.063 3.547 -17.776 1.00 0.00 C ATOM 997 OD1 ASN A 70 14.213 3.326 -18.974 1.00 0.00 O ATOM 998 ND2 ASN A 70 13.069 3.010 -17.082 1.00 0.00 N ATOM 0 H ASN A 70 16.668 5.935 -15.975 1.00 0.00 H new ATOM 0 HA ASN A 70 16.881 3.483 -17.332 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.969 4.193 -15.950 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.605 5.491 -17.070 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.401 2.393 -17.543 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.973 3.214 -16.087 1.00 0.00 H new ATOM 1005 N MET A 71 16.173 6.040 -19.303 1.00 0.00 N ATOM 1006 CA MET A 71 16.177 6.500 -20.689 1.00 0.00 C ATOM 1007 C MET A 71 17.584 6.502 -21.266 1.00 0.00 C ATOM 1008 O MET A 71 17.808 6.074 -22.402 1.00 0.00 O ATOM 1009 CB MET A 71 15.578 7.903 -20.767 1.00 0.00 C ATOM 1010 CG MET A 71 14.098 7.930 -20.447 1.00 0.00 C ATOM 1011 SD MET A 71 13.429 9.599 -20.313 1.00 0.00 S ATOM 1012 CE MET A 71 14.218 10.145 -18.801 1.00 0.00 C ATOM 0 H MET A 71 15.850 6.738 -18.633 1.00 0.00 H new ATOM 0 HA MET A 71 15.573 5.811 -21.280 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.107 8.557 -20.074 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.736 8.305 -21.768 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.555 7.390 -21.223 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.926 7.401 -19.510 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.718 11.041 -18.433 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.151 9.357 -18.051 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.266 10.370 -18.998 1.00 0.00 H new ATOM 1022 N ARG A 72 18.523 6.993 -20.476 1.00 0.00 N ATOM 1023 CA ARG A 72 19.928 7.049 -20.878 1.00 0.00 C ATOM 1024 C ARG A 72 20.487 5.647 -21.122 1.00 0.00 C ATOM 1025 O ARG A 72 21.152 5.397 -22.127 1.00 0.00 O ATOM 1026 CB ARG A 72 20.760 7.757 -19.806 1.00 0.00 C ATOM 1027 CG ARG A 72 20.333 9.192 -19.549 1.00 0.00 C ATOM 1028 CD ARG A 72 21.157 9.825 -18.442 1.00 0.00 C ATOM 1029 NE ARG A 72 20.737 11.194 -18.152 1.00 0.00 N ATOM 1030 CZ ARG A 72 21.409 12.025 -17.357 1.00 0.00 C ATOM 1031 NH1 ARG A 72 22.527 11.621 -16.764 1.00 0.00 N ATOM 1032 NH2 ARG A 72 20.963 13.259 -17.157 1.00 0.00 N ATOM 0 H ARG A 72 18.341 7.363 -19.543 1.00 0.00 H new ATOM 0 HA ARG A 72 19.987 7.612 -21.810 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.691 7.195 -18.875 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.808 7.748 -20.107 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.441 9.775 -20.464 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.277 9.216 -19.278 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.071 9.222 -17.538 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.209 9.823 -18.728 1.00 0.00 H new ATOM 0 HE ARG A 72 19.878 11.534 -18.584 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.872 10.673 -16.917 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.041 12.258 -16.155 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.105 13.571 -17.612 1.00 0.00 H new ATOM 0 HH22 ARG A 72 21.478 13.895 -16.548 1.00 0.00 H new ATOM 1046 N PHE A 73 20.208 4.744 -20.193 1.00 0.00 N ATOM 1047 CA PHE A 73 20.665 3.360 -20.269 1.00 0.00 C ATOM 1048 C PHE A 73 20.171 2.691 -21.550 1.00 0.00 C ATOM 1049 O PHE A 73 20.947 2.071 -22.280 1.00 0.00 O ATOM 1050 CB PHE A 73 20.159 2.613 -19.029 1.00 0.00 C ATOM 1051 CG PHE A 73 20.457 1.140 -18.983 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.761 0.672 -18.951 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.420 0.223 -18.938 1.00 0.00 C ATOM 1054 CE1 PHE A 73 22.022 -0.684 -18.879 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.672 -1.132 -18.870 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.976 -1.588 -18.839 1.00 0.00 C ATOM 0 H PHE A 73 19.656 4.950 -19.361 1.00 0.00 H new ATOM 0 HA PHE A 73 21.754 3.334 -20.294 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.593 3.080 -18.145 1.00 0.00 H new ATOM 0 HB3 PHE A 73 19.079 2.748 -18.963 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.582 1.373 -18.983 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.399 0.574 -18.956 1.00 0.00 H new ATOM 0 HE1 PHE A 73 23.042 -1.037 -18.854 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.852 -1.834 -18.841 1.00 0.00 H new ATOM 0 HZ PHE A 73 21.178 -2.648 -18.784 1.00 0.00 H new ATOM 1066 N ALA A 74 18.882 2.844 -21.821 1.00 0.00 N ATOM 1067 CA ALA A 74 18.275 2.277 -23.013 1.00 0.00 C ATOM 1068 C ALA A 74 18.940 2.795 -24.290 1.00 0.00 C ATOM 1069 O ALA A 74 19.357 2.012 -25.142 1.00 0.00 O ATOM 1070 CB ALA A 74 16.788 2.585 -23.033 1.00 0.00 C ATOM 0 H ALA A 74 18.234 3.360 -21.226 1.00 0.00 H new ATOM 0 HA ALA A 74 18.422 1.197 -22.981 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.340 2.157 -23.930 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.315 2.155 -22.150 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.640 3.665 -23.034 1.00 0.00 H new ATOM 1076 N SER A 75 19.064 4.112 -24.403 1.00 0.00 N ATOM 1077 CA SER A 75 19.585 4.727 -25.619 1.00 0.00 C ATOM 1078 C SER A 75 21.086 4.480 -25.797 1.00 0.00 C ATOM 1079 O SER A 75 21.582 4.444 -26.925 1.00 0.00 O ATOM 1080 CB SER A 75 19.281 6.225 -25.618 1.00 0.00 C ATOM 1081 OG SER A 75 19.588 6.807 -24.363 1.00 0.00 O ATOM 0 H SER A 75 18.812 4.774 -23.669 1.00 0.00 H new ATOM 0 HA SER A 75 19.085 4.258 -26.466 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.858 6.717 -26.401 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.228 6.386 -25.849 1.00 0.00 H new ATOM 0 HG SER A 75 18.854 6.638 -23.736 1.00 0.00 H new ATOM 1087 N SER A 76 21.806 4.298 -24.694 1.00 0.00 N ATOM 1088 CA SER A 76 23.234 4.005 -24.761 1.00 0.00 C ATOM 1089 C SER A 76 23.466 2.620 -25.358 1.00 0.00 C ATOM 1090 O SER A 76 24.352 2.427 -26.189 1.00 0.00 O ATOM 1091 CB SER A 76 23.870 4.103 -23.372 1.00 0.00 C ATOM 1092 OG SER A 76 23.732 5.413 -22.838 1.00 0.00 O ATOM 0 H SER A 76 21.427 4.348 -23.748 1.00 0.00 H new ATOM 0 HA SER A 76 23.707 4.744 -25.407 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.401 3.382 -22.702 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.926 3.841 -23.433 1.00 0.00 H new ATOM 0 HG SER A 76 22.806 5.552 -22.548 1.00 0.00 H new ATOM 1098 N MET A 77 22.646 1.660 -24.951 1.00 0.00 N ATOM 1099 CA MET A 77 22.739 0.308 -25.489 1.00 0.00 C ATOM 1100 C MET A 77 22.201 0.273 -26.909 1.00 0.00 C ATOM 1101 O MET A 77 22.604 -0.558 -27.721 1.00 0.00 O ATOM 1102 CB MET A 77 21.962 -0.679 -24.624 1.00 0.00 C ATOM 1103 CG MET A 77 22.484 -0.790 -23.204 1.00 0.00 C ATOM 1104 SD MET A 77 21.562 -1.985 -22.224 1.00 0.00 S ATOM 1105 CE MET A 77 19.908 -1.298 -22.315 1.00 0.00 C ATOM 0 H MET A 77 21.913 1.790 -24.254 1.00 0.00 H new ATOM 0 HA MET A 77 23.789 0.017 -25.490 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.915 -0.376 -24.594 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.996 -1.663 -25.092 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.535 -1.078 -23.228 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.432 0.187 -22.723 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.257 -1.822 -21.615 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.939 -0.239 -22.058 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.521 -1.414 -23.327 1.00 0.00 H new ATOM 1115 N ALA A 78 21.292 1.193 -27.199 1.00 0.00 N ATOM 1116 CA ALA A 78 20.687 1.301 -28.517 1.00 0.00 C ATOM 1117 C ALA A 78 21.736 1.565 -29.590 1.00 0.00 C ATOM 1118 O ALA A 78 21.640 1.048 -30.698 1.00 0.00 O ATOM 1119 CB ALA A 78 19.638 2.397 -28.522 1.00 0.00 C ATOM 0 H ALA A 78 20.954 1.884 -26.528 1.00 0.00 H new ATOM 0 HA ALA A 78 20.208 0.349 -28.747 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.192 2.469 -29.514 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.864 2.163 -27.792 1.00 0.00 H new ATOM 0 HB3 ALA A 78 20.104 3.348 -28.264 1.00 0.00 H new ATOM 1125 N GLU A 79 22.747 2.356 -29.252 1.00 0.00 N ATOM 1126 CA GLU A 79 23.817 2.671 -30.194 1.00 0.00 C ATOM 1127 C GLU A 79 24.627 1.422 -30.520 1.00 0.00 C ATOM 1128 O GLU A 79 25.222 1.308 -31.589 1.00 0.00 O ATOM 1129 CB GLU A 79 24.736 3.748 -29.616 1.00 0.00 C ATOM 1130 CG GLU A 79 23.987 4.956 -29.086 1.00 0.00 C ATOM 1131 CD GLU A 79 24.898 6.125 -28.782 1.00 0.00 C ATOM 1132 OE1 GLU A 79 25.924 5.929 -28.098 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.585 7.251 -29.220 1.00 0.00 O ATOM 0 H GLU A 79 22.850 2.791 -28.335 1.00 0.00 H new ATOM 0 HA GLU A 79 23.364 3.046 -31.112 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.329 3.315 -28.811 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.434 4.072 -30.388 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.240 5.264 -29.818 1.00 0.00 H new ATOM 0 HG3 GLU A 79 23.449 4.676 -28.180 1.00 0.00 H new ATOM 1140 N ILE A 80 24.631 0.486 -29.585 1.00 0.00 N ATOM 1141 CA ILE A 80 25.348 -0.765 -29.755 1.00 0.00 C ATOM 1142 C ILE A 80 24.482 -1.770 -30.514 1.00 0.00 C ATOM 1143 O ILE A 80 24.962 -2.479 -31.400 1.00 0.00 O ATOM 1144 CB ILE A 80 25.750 -1.345 -28.384 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.461 -0.270 -27.558 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.643 -2.564 -28.556 1.00 0.00 C ATOM 1147 CD1 ILE A 80 26.745 -0.687 -26.133 1.00 0.00 C ATOM 0 H ILE A 80 24.141 0.571 -28.694 1.00 0.00 H new ATOM 0 HA ILE A 80 26.252 -0.570 -30.331 1.00 0.00 H new ATOM 0 HB ILE A 80 24.849 -1.660 -27.857 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.401 -0.012 -28.046 1.00 0.00 H new ATOM 0 HG13 ILE A 80 25.849 0.632 -27.548 1.00 0.00 H new ATOM 0 HG21 ILE A 80 26.915 -2.957 -27.576 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.109 -3.330 -29.119 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.546 -2.280 -29.096 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.250 0.125 -25.610 1.00 0.00 H new ATOM 0 HD12 ILE A 80 25.807 -0.917 -25.627 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.383 -1.571 -26.133 1.00 0.00 H new ATOM 1159 N ALA A 81 23.204 -1.817 -30.161 1.00 0.00 N ATOM 1160 CA ALA A 81 22.236 -2.663 -30.855 1.00 0.00 C ATOM 1161 C ALA A 81 21.983 -2.174 -32.286 1.00 0.00 C ATOM 1162 O ALA A 81 21.495 -2.924 -33.126 1.00 0.00 O ATOM 1163 CB ALA A 81 20.932 -2.722 -30.073 1.00 0.00 C ATOM 0 H ALA A 81 22.809 -1.275 -29.392 1.00 0.00 H new ATOM 0 HA ALA A 81 22.656 -3.667 -30.920 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.219 -3.356 -30.601 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.120 -3.135 -29.082 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.521 -1.717 -29.975 1.00 0.00 H new ATOM 1169 N ALA A 82 22.307 -0.911 -32.545 1.00 0.00 N ATOM 1170 CA ALA A 82 22.233 -0.338 -33.895 1.00 0.00 C ATOM 1171 C ALA A 82 23.197 -1.047 -34.841 1.00 0.00 C ATOM 1172 O ALA A 82 23.019 -1.037 -36.058 1.00 0.00 O ATOM 1173 CB ALA A 82 22.559 1.145 -33.844 1.00 0.00 C ATOM 0 H ALA A 82 22.627 -0.255 -31.833 1.00 0.00 H new ATOM 0 HA ALA A 82 21.219 -0.475 -34.271 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.503 1.565 -34.848 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.843 1.653 -33.198 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.566 1.283 -33.449 1.00 0.00 H new ATOM 1241 N SER A 89 19.761 -9.373 -36.018 1.00 0.00 N ATOM 1242 CA SER A 89 19.288 -8.020 -36.253 1.00 0.00 C ATOM 1243 C SER A 89 18.840 -7.379 -34.942 1.00 0.00 C ATOM 1244 O SER A 89 18.990 -7.972 -33.869 1.00 0.00 O ATOM 1245 CB SER A 89 18.133 -8.046 -37.253 1.00 0.00 C ATOM 1246 OG SER A 89 17.098 -8.906 -36.803 1.00 0.00 O ATOM 0 HA SER A 89 20.103 -7.425 -36.665 1.00 0.00 H new ATOM 0 HB2 SER A 89 17.741 -7.038 -37.390 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.495 -8.382 -38.225 1.00 0.00 H new ATOM 0 HG SER A 89 17.469 -9.568 -36.182 1.00 0.00 H new ATOM 1252 N LEU A 90 18.319 -6.163 -35.021 1.00 0.00 N ATOM 1253 CA LEU A 90 17.759 -5.493 -33.856 1.00 0.00 C ATOM 1254 C LEU A 90 16.697 -6.366 -33.196 1.00 0.00 C ATOM 1255 O LEU A 90 16.647 -6.470 -31.972 1.00 0.00 O ATOM 1256 CB LEU A 90 17.157 -4.147 -34.253 1.00 0.00 C ATOM 1257 CG LEU A 90 16.499 -3.369 -33.110 1.00 0.00 C ATOM 1258 CD1 LEU A 90 17.513 -3.046 -32.019 1.00 0.00 C ATOM 1259 CD2 LEU A 90 15.856 -2.098 -33.637 1.00 0.00 C ATOM 0 H LEU A 90 18.272 -5.619 -35.882 1.00 0.00 H new ATOM 0 HA LEU A 90 18.564 -5.321 -33.141 1.00 0.00 H new ATOM 0 HB2 LEU A 90 17.943 -3.529 -34.688 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.414 -4.314 -35.033 1.00 0.00 H new ATOM 0 HG LEU A 90 15.721 -3.995 -32.673 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.022 -2.493 -31.218 1.00 0.00 H new ATOM 0 HD12 LEU A 90 17.926 -3.973 -31.620 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.317 -2.441 -32.437 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.392 -1.556 -32.813 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.617 -1.471 -34.101 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.096 -2.354 -34.376 1.00 0.00 H new ATOM 1271 N SER A 91 15.881 -7.013 -34.024 1.00 0.00 N ATOM 1272 CA SER A 91 14.836 -7.917 -33.551 1.00 0.00 C ATOM 1273 C SER A 91 15.415 -8.961 -32.596 1.00 0.00 C ATOM 1274 O SER A 91 14.814 -9.295 -31.572 1.00 0.00 O ATOM 1275 CB SER A 91 14.176 -8.608 -34.753 1.00 0.00 C ATOM 1276 OG SER A 91 13.142 -9.493 -34.350 1.00 0.00 O ATOM 0 H SER A 91 15.925 -6.926 -35.039 1.00 0.00 H new ATOM 0 HA SER A 91 14.088 -7.339 -33.009 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.767 -7.854 -35.426 1.00 0.00 H new ATOM 0 HB3 SER A 91 14.930 -9.161 -35.313 1.00 0.00 H new ATOM 0 HG SER A 91 12.744 -9.913 -35.141 1.00 0.00 H new ATOM 1282 N THR A 92 16.598 -9.451 -32.925 1.00 0.00 N ATOM 1283 CA THR A 92 17.250 -10.470 -32.129 1.00 0.00 C ATOM 1284 C THR A 92 17.935 -9.862 -30.902 1.00 0.00 C ATOM 1285 O THR A 92 17.896 -10.424 -29.808 1.00 0.00 O ATOM 1286 CB THR A 92 18.297 -11.213 -32.977 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.772 -11.459 -34.289 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.681 -12.531 -32.329 1.00 0.00 C ATOM 0 H THR A 92 17.128 -9.155 -33.745 1.00 0.00 H new ATOM 0 HA THR A 92 16.484 -11.168 -31.791 1.00 0.00 H new ATOM 0 HB THR A 92 19.187 -10.588 -33.048 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.265 -10.922 -34.944 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.422 -13.038 -32.947 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.100 -12.342 -31.341 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.796 -13.161 -32.233 1.00 0.00 H new ATOM 1296 N LYS A 93 18.536 -8.696 -31.086 1.00 0.00 N ATOM 1297 CA LYS A 93 19.391 -8.112 -30.062 1.00 0.00 C ATOM 1298 C LYS A 93 18.611 -7.365 -28.976 1.00 0.00 C ATOM 1299 O LYS A 93 18.954 -7.462 -27.801 1.00 0.00 O ATOM 1300 CB LYS A 93 20.424 -7.183 -30.702 1.00 0.00 C ATOM 1301 CG LYS A 93 21.379 -7.903 -31.648 1.00 0.00 C ATOM 1302 CD LYS A 93 22.594 -7.051 -31.999 1.00 0.00 C ATOM 1303 CE LYS A 93 22.221 -5.828 -32.817 1.00 0.00 C ATOM 1304 NZ LYS A 93 21.770 -6.189 -34.184 1.00 0.00 N ATOM 0 H LYS A 93 18.448 -8.136 -31.934 1.00 0.00 H new ATOM 0 HA LYS A 93 19.895 -8.943 -29.568 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.905 -6.397 -31.250 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.001 -6.696 -29.916 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.711 -8.834 -31.188 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.849 -8.171 -32.562 1.00 0.00 H new ATOM 0 HD2 LYS A 93 23.091 -6.735 -31.082 1.00 0.00 H new ATOM 0 HD3 LYS A 93 23.310 -7.655 -32.557 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.429 -5.279 -32.307 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.080 -5.161 -32.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.477 -5.872 -34.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.658 -7.221 -34.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.859 -5.728 -34.382 1.00 0.00 H new ATOM 1318 N THR A 94 17.567 -6.630 -29.346 1.00 0.00 N ATOM 1319 CA THR A 94 16.855 -5.804 -28.372 1.00 0.00 C ATOM 1320 C THR A 94 16.158 -6.661 -27.310 1.00 0.00 C ATOM 1321 O THR A 94 16.037 -6.252 -26.155 1.00 0.00 O ATOM 1322 CB THR A 94 15.830 -4.855 -29.042 1.00 0.00 C ATOM 1323 OG1 THR A 94 15.268 -3.967 -28.065 1.00 0.00 O ATOM 1324 CG2 THR A 94 14.712 -5.626 -29.728 1.00 0.00 C ATOM 0 H THR A 94 17.198 -6.588 -30.296 1.00 0.00 H new ATOM 0 HA THR A 94 17.612 -5.189 -27.885 1.00 0.00 H new ATOM 0 HB THR A 94 16.362 -4.282 -29.801 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.291 -3.978 -28.137 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.014 -4.925 -30.186 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.135 -6.272 -30.498 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.185 -6.234 -28.993 1.00 0.00 H new ATOM 1332 N SER A 95 15.715 -7.851 -27.699 1.00 0.00 N ATOM 1333 CA SER A 95 15.060 -8.761 -26.782 1.00 0.00 C ATOM 1334 C SER A 95 16.084 -9.479 -25.906 1.00 0.00 C ATOM 1335 O SER A 95 15.795 -9.850 -24.767 1.00 0.00 O ATOM 1336 CB SER A 95 14.234 -9.762 -27.582 1.00 0.00 C ATOM 1337 OG SER A 95 13.327 -9.083 -28.436 1.00 0.00 O ATOM 0 H SER A 95 15.801 -8.205 -28.652 1.00 0.00 H new ATOM 0 HA SER A 95 14.402 -8.197 -26.121 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.893 -10.398 -28.173 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.685 -10.415 -26.904 1.00 0.00 H new ATOM 0 HG SER A 95 12.804 -9.738 -28.945 1.00 0.00 H new ATOM 1343 N SER A 96 17.288 -9.638 -26.442 1.00 0.00 N ATOM 1344 CA SER A 96 18.381 -10.279 -25.725 1.00 0.00 C ATOM 1345 C SER A 96 18.680 -9.525 -24.430 1.00 0.00 C ATOM 1346 O SER A 96 18.808 -10.129 -23.363 1.00 0.00 O ATOM 1347 CB SER A 96 19.621 -10.333 -26.626 1.00 0.00 C ATOM 1348 OG SER A 96 20.748 -10.858 -25.950 1.00 0.00 O ATOM 0 H SER A 96 17.533 -9.327 -27.382 1.00 0.00 H new ATOM 0 HA SER A 96 18.094 -11.297 -25.462 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.406 -10.946 -27.501 1.00 0.00 H new ATOM 0 HB3 SER A 96 19.850 -9.330 -26.987 1.00 0.00 H new ATOM 0 HG SER A 96 20.458 -11.296 -25.123 1.00 0.00 H new ATOM 1354 N ILE A 97 18.750 -8.202 -24.525 1.00 0.00 N ATOM 1355 CA ILE A 97 19.031 -7.362 -23.365 1.00 0.00 C ATOM 1356 C ILE A 97 18.009 -7.601 -22.255 1.00 0.00 C ATOM 1357 O ILE A 97 18.371 -7.781 -21.093 1.00 0.00 O ATOM 1358 CB ILE A 97 19.031 -5.865 -23.738 1.00 0.00 C ATOM 1359 CG1 ILE A 97 20.023 -5.604 -24.875 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.373 -5.019 -22.518 1.00 0.00 C ATOM 1361 CD1 ILE A 97 20.035 -4.168 -25.353 1.00 0.00 C ATOM 0 H ILE A 97 18.616 -7.687 -25.395 1.00 0.00 H new ATOM 0 HA ILE A 97 20.024 -7.637 -23.008 1.00 0.00 H new ATOM 0 HB ILE A 97 18.035 -5.586 -24.081 1.00 0.00 H new ATOM 0 HG12 ILE A 97 21.025 -5.875 -24.541 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.780 -6.255 -25.714 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.370 -3.965 -22.794 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.633 -5.192 -21.736 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.361 -5.295 -22.149 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.761 -4.059 -26.159 1.00 0.00 H new ATOM 0 HD12 ILE A 97 19.044 -3.898 -25.718 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.308 -3.512 -24.527 1.00 0.00 H new ATOM 1373 N ALA A 98 16.734 -7.635 -22.627 1.00 0.00 N ATOM 1374 CA ALA A 98 15.658 -7.808 -21.657 1.00 0.00 C ATOM 1375 C ALA A 98 15.747 -9.159 -20.961 1.00 0.00 C ATOM 1376 O ALA A 98 15.446 -9.272 -19.773 1.00 0.00 O ATOM 1377 CB ALA A 98 14.305 -7.655 -22.325 1.00 0.00 C ATOM 0 H ALA A 98 16.420 -7.545 -23.593 1.00 0.00 H new ATOM 0 HA ALA A 98 15.770 -7.030 -20.902 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.516 -7.788 -21.584 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.227 -6.661 -22.764 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.198 -8.407 -23.107 1.00 0.00 H new ATOM 1383 N SER A 99 16.180 -10.177 -21.694 1.00 0.00 N ATOM 1384 CA SER A 99 16.304 -11.505 -21.139 1.00 0.00 C ATOM 1385 C SER A 99 17.429 -11.516 -20.116 1.00 0.00 C ATOM 1386 O SER A 99 17.315 -12.114 -19.046 1.00 0.00 O ATOM 1387 CB SER A 99 16.572 -12.513 -22.259 1.00 0.00 C ATOM 1388 OG SER A 99 16.612 -13.839 -21.767 1.00 0.00 O ATOM 0 H SER A 99 16.450 -10.101 -22.675 1.00 0.00 H new ATOM 0 HA SER A 99 15.376 -11.789 -20.643 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.795 -12.429 -23.018 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.519 -12.276 -22.744 1.00 0.00 H new ATOM 0 HG SER A 99 16.783 -14.458 -22.507 1.00 0.00 H new ATOM 1394 N ALA A 100 18.506 -10.813 -20.445 1.00 0.00 N ATOM 1395 CA ALA A 100 19.642 -10.694 -19.550 1.00 0.00 C ATOM 1396 C ALA A 100 19.279 -9.864 -18.325 1.00 0.00 C ATOM 1397 O ALA A 100 19.723 -10.159 -17.219 1.00 0.00 O ATOM 1398 CB ALA A 100 20.829 -10.086 -20.278 1.00 0.00 C ATOM 0 H ALA A 100 18.613 -10.316 -21.329 1.00 0.00 H new ATOM 0 HA ALA A 100 19.920 -11.692 -19.212 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.673 -10.004 -19.593 1.00 0.00 H new ATOM 0 HB2 ALA A 100 21.105 -10.722 -21.119 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.562 -9.095 -20.645 1.00 0.00 H new ATOM 1404 N MET A 101 18.461 -8.833 -18.530 1.00 0.00 N ATOM 1405 CA MET A 101 18.002 -7.990 -17.440 1.00 0.00 C ATOM 1406 C MET A 101 17.105 -8.781 -16.494 1.00 0.00 C ATOM 1407 O MET A 101 17.283 -8.740 -15.279 1.00 0.00 O ATOM 1408 CB MET A 101 17.257 -6.781 -17.999 1.00 0.00 C ATOM 1409 CG MET A 101 18.178 -5.727 -18.597 1.00 0.00 C ATOM 1410 SD MET A 101 17.355 -4.702 -19.828 1.00 0.00 S ATOM 1411 CE MET A 101 15.822 -4.353 -18.986 1.00 0.00 C ATOM 0 H MET A 101 18.104 -8.565 -19.447 1.00 0.00 H new ATOM 0 HA MET A 101 18.867 -7.641 -16.876 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.557 -7.117 -18.764 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.667 -6.327 -17.203 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.562 -5.091 -17.799 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.037 -6.218 -19.055 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.166 -3.784 -19.645 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.337 -5.289 -18.711 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.025 -3.772 -18.087 1.00 0.00 H new ATOM 1421 N SER A 102 16.157 -9.515 -17.068 1.00 0.00 N ATOM 1422 CA SER A 102 15.260 -10.362 -16.291 1.00 0.00 C ATOM 1423 C SER A 102 16.063 -11.397 -15.505 1.00 0.00 C ATOM 1424 O SER A 102 15.913 -11.526 -14.290 1.00 0.00 O ATOM 1425 CB SER A 102 14.252 -11.048 -17.225 1.00 0.00 C ATOM 1426 OG SER A 102 13.368 -11.894 -16.512 1.00 0.00 O ATOM 0 H SER A 102 15.990 -9.540 -18.074 1.00 0.00 H new ATOM 0 HA SER A 102 14.710 -9.746 -15.580 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.679 -10.291 -17.760 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.788 -11.631 -17.974 1.00 0.00 H new ATOM 0 HG SER A 102 12.740 -12.312 -17.137 1.00 0.00 H new ATOM 1432 N ASN A 103 16.941 -12.107 -16.207 1.00 0.00 N ATOM 1433 CA ASN A 103 17.815 -13.098 -15.586 1.00 0.00 C ATOM 1434 C ASN A 103 18.658 -12.477 -14.473 1.00 0.00 C ATOM 1435 O ASN A 103 18.850 -13.087 -13.426 1.00 0.00 O ATOM 1436 CB ASN A 103 18.709 -13.744 -16.656 1.00 0.00 C ATOM 1437 CG ASN A 103 19.980 -14.356 -16.095 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.977 -15.481 -15.598 1.00 0.00 O ATOM 1439 ND2 ASN A 103 21.084 -13.630 -16.204 1.00 0.00 N ATOM 0 H ASN A 103 17.067 -12.013 -17.215 1.00 0.00 H new ATOM 0 HA ASN A 103 17.195 -13.869 -15.130 1.00 0.00 H new ATOM 0 HB2 ASN A 103 18.141 -14.517 -17.174 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.975 -12.992 -17.399 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.973 -14.001 -15.869 1.00 0.00 H new ATOM 0 HD22 ASN A 103 21.044 -12.701 -16.623 1.00 0.00 H new ATOM 1446 N ALA A 104 19.137 -11.257 -14.692 1.00 0.00 N ATOM 1447 CA ALA A 104 19.945 -10.564 -13.696 1.00 0.00 C ATOM 1448 C ALA A 104 19.133 -10.269 -12.440 1.00 0.00 C ATOM 1449 O ALA A 104 19.611 -10.472 -11.323 1.00 0.00 O ATOM 1450 CB ALA A 104 20.525 -9.284 -14.273 1.00 0.00 C ATOM 0 H ALA A 104 18.980 -10.728 -15.550 1.00 0.00 H new ATOM 0 HA ALA A 104 20.770 -11.220 -13.416 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.125 -8.782 -13.514 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.153 -9.524 -15.131 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.714 -8.627 -14.588 1.00 0.00 H new ATOM 1456 N PHE A 105 17.903 -9.798 -12.623 1.00 0.00 N ATOM 1457 CA PHE A 105 16.997 -9.570 -11.499 1.00 0.00 C ATOM 1458 C PHE A 105 16.737 -10.869 -10.747 1.00 0.00 C ATOM 1459 O PHE A 105 16.660 -10.885 -9.517 1.00 0.00 O ATOM 1460 CB PHE A 105 15.662 -8.988 -11.973 1.00 0.00 C ATOM 1461 CG PHE A 105 15.688 -7.507 -12.219 1.00 0.00 C ATOM 1462 CD1 PHE A 105 15.965 -6.627 -11.186 1.00 0.00 C ATOM 1463 CD2 PHE A 105 15.419 -6.994 -13.477 1.00 0.00 C ATOM 1464 CE1 PHE A 105 15.978 -5.263 -11.404 1.00 0.00 C ATOM 1465 CE2 PHE A 105 15.431 -5.631 -13.702 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.710 -4.765 -12.664 1.00 0.00 C ATOM 0 H PHE A 105 17.510 -9.567 -13.536 1.00 0.00 H new ATOM 0 HA PHE A 105 17.478 -8.854 -10.833 1.00 0.00 H new ATOM 0 HB2 PHE A 105 15.365 -9.492 -12.892 1.00 0.00 H new ATOM 0 HB3 PHE A 105 14.898 -9.208 -11.228 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.173 -7.012 -10.199 1.00 0.00 H new ATOM 0 HD2 PHE A 105 15.197 -7.667 -14.292 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.197 -4.587 -10.591 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.222 -5.244 -14.688 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.719 -3.699 -12.837 1.00 0.00 H new ATOM 1476 N LEU A 106 16.619 -11.955 -11.499 1.00 0.00 N ATOM 1477 CA LEU A 106 16.366 -13.272 -10.936 1.00 0.00 C ATOM 1478 C LEU A 106 17.507 -13.735 -10.031 1.00 0.00 C ATOM 1479 O LEU A 106 17.286 -14.495 -9.093 1.00 0.00 O ATOM 1480 CB LEU A 106 16.137 -14.278 -12.069 1.00 0.00 C ATOM 1481 CG LEU A 106 14.825 -14.103 -12.841 1.00 0.00 C ATOM 1482 CD1 LEU A 106 14.692 -15.165 -13.922 1.00 0.00 C ATOM 1483 CD2 LEU A 106 13.636 -14.156 -11.891 1.00 0.00 C ATOM 0 H LEU A 106 16.696 -11.947 -12.516 1.00 0.00 H new ATOM 0 HA LEU A 106 15.471 -13.209 -10.316 1.00 0.00 H new ATOM 0 HB2 LEU A 106 16.966 -14.204 -12.772 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.162 -15.284 -11.651 1.00 0.00 H new ATOM 0 HG LEU A 106 14.839 -13.125 -13.322 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.754 -15.023 -14.458 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.525 -15.080 -14.620 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.702 -16.154 -13.464 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.713 -14.030 -12.456 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.621 -15.119 -11.381 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.723 -13.357 -11.155 1.00 0.00 H new ATOM 1495 N GLN A 107 18.718 -13.261 -10.297 1.00 0.00 N ATOM 1496 CA GLN A 107 19.878 -13.686 -9.520 1.00 0.00 C ATOM 1497 C GLN A 107 20.106 -12.763 -8.328 1.00 0.00 C ATOM 1498 O GLN A 107 20.576 -13.197 -7.276 1.00 0.00 O ATOM 1499 CB GLN A 107 21.140 -13.718 -10.389 1.00 0.00 C ATOM 1500 CG GLN A 107 20.939 -14.378 -11.743 1.00 0.00 C ATOM 1501 CD GLN A 107 20.290 -15.745 -11.650 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.506 -16.492 -10.698 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.461 -16.064 -12.628 1.00 0.00 N ATOM 0 H GLN A 107 18.923 -12.589 -11.037 1.00 0.00 H new ATOM 0 HA GLN A 107 19.673 -14.692 -9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.490 -12.697 -10.542 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.926 -14.247 -9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.322 -13.732 -12.367 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.904 -14.474 -12.240 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.310 -15.415 -13.400 1.00 0.00 H new ATOM 0 HE22 GLN A 107 18.972 -16.959 -12.611 1.00 0.00 H new ATOM 1512 N THR A 108 19.758 -11.494 -8.489 1.00 0.00 N ATOM 1513 CA THR A 108 20.050 -10.495 -7.479 1.00 0.00 C ATOM 1514 C THR A 108 18.919 -10.372 -6.465 1.00 0.00 C ATOM 1515 O THR A 108 19.164 -10.211 -5.267 1.00 0.00 O ATOM 1516 CB THR A 108 20.307 -9.124 -8.129 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.306 -8.867 -9.123 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.686 -9.075 -8.768 1.00 0.00 C ATOM 0 H THR A 108 19.273 -11.135 -9.311 1.00 0.00 H new ATOM 0 HA THR A 108 20.948 -10.822 -6.955 1.00 0.00 H new ATOM 0 HB THR A 108 20.260 -8.361 -7.352 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.530 -9.350 -9.946 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.843 -8.096 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.446 -9.249 -8.007 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.759 -9.845 -9.536 1.00 0.00 H new ATOM 1526 N THR A 109 17.685 -10.453 -6.942 1.00 0.00 N ATOM 1527 CA THR A 109 16.527 -10.256 -6.084 1.00 0.00 C ATOM 1528 C THR A 109 15.631 -11.491 -6.075 1.00 0.00 C ATOM 1529 O THR A 109 15.061 -11.854 -5.043 1.00 0.00 O ATOM 1530 CB THR A 109 15.709 -9.032 -6.546 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.046 -9.316 -7.787 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.617 -7.828 -6.737 1.00 0.00 C ATOM 0 H THR A 109 17.461 -10.653 -7.917 1.00 0.00 H new ATOM 0 HA THR A 109 16.895 -10.082 -5.073 1.00 0.00 H new ATOM 0 HB THR A 109 14.968 -8.811 -5.777 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.634 -9.856 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 109 16.024 -6.973 -7.063 1.00 0.00 H new ATOM 0 HG22 THR A 109 17.109 -7.590 -5.794 1.00 0.00 H new ATOM 0 HG23 THR A 109 17.370 -8.056 -7.491 1.00 0.00 H new ATOM 1540 N GLY A 110 15.518 -12.133 -7.231 1.00 0.00 N ATOM 1541 CA GLY A 110 14.647 -13.281 -7.362 1.00 0.00 C ATOM 1542 C GLY A 110 13.308 -12.898 -7.957 1.00 0.00 C ATOM 1543 O GLY A 110 12.460 -13.754 -8.210 1.00 0.00 O ATOM 0 H GLY A 110 16.017 -11.876 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.125 -14.031 -7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.494 -13.737 -6.384 1.00 0.00 H new ATOM 1547 N VAL A 111 13.122 -11.604 -8.180 1.00 0.00 N ATOM 1548 CA VAL A 111 11.878 -11.089 -8.729 1.00 0.00 C ATOM 1549 C VAL A 111 12.149 -10.364 -10.038 1.00 0.00 C ATOM 1550 O VAL A 111 13.208 -9.763 -10.216 1.00 0.00 O ATOM 1551 CB VAL A 111 11.188 -10.109 -7.751 1.00 0.00 C ATOM 1552 CG1 VAL A 111 9.754 -9.831 -8.172 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.235 -10.633 -6.322 1.00 0.00 C ATOM 0 H VAL A 111 13.823 -10.889 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 111 11.217 -11.939 -8.897 1.00 0.00 H new ATOM 0 HB VAL A 111 11.739 -9.169 -7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.295 -9.139 -7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.746 -9.390 -9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.191 -10.764 -8.184 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.742 -9.923 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.723 -11.594 -6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.273 -10.758 -6.014 1.00 0.00 H new ATOM 1563 N VAL A 112 11.194 -10.420 -10.948 1.00 0.00 N ATOM 1564 CA VAL A 112 11.336 -9.763 -12.236 1.00 0.00 C ATOM 1565 C VAL A 112 10.740 -8.359 -12.182 1.00 0.00 C ATOM 1566 O VAL A 112 9.527 -8.191 -12.049 1.00 0.00 O ATOM 1567 CB VAL A 112 10.651 -10.563 -13.368 1.00 0.00 C ATOM 1568 CG1 VAL A 112 10.864 -9.882 -14.714 1.00 0.00 C ATOM 1569 CG2 VAL A 112 11.160 -11.998 -13.403 1.00 0.00 C ATOM 0 H VAL A 112 10.311 -10.914 -10.820 1.00 0.00 H new ATOM 0 HA VAL A 112 12.403 -9.706 -12.453 1.00 0.00 H new ATOM 0 HB VAL A 112 9.580 -10.589 -13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.374 -10.461 -15.496 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.439 -8.879 -14.685 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.932 -9.818 -14.925 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.663 -12.541 -14.207 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.236 -11.998 -13.575 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.945 -12.484 -12.451 1.00 0.00 H new ATOM 1579 N ASN A 113 11.593 -7.349 -12.266 1.00 0.00 N ATOM 1580 CA ASN A 113 11.124 -5.969 -12.279 1.00 0.00 C ATOM 1581 C ASN A 113 10.657 -5.606 -13.686 1.00 0.00 C ATOM 1582 O ASN A 113 11.350 -4.914 -14.432 1.00 0.00 O ATOM 1583 CB ASN A 113 12.222 -5.014 -11.803 1.00 0.00 C ATOM 1584 CG ASN A 113 11.700 -3.623 -11.488 1.00 0.00 C ATOM 1585 OD1 ASN A 113 10.725 -3.157 -12.077 1.00 0.00 O ATOM 1586 ND2 ASN A 113 12.348 -2.955 -10.546 1.00 0.00 N ATOM 0 H ASN A 113 12.606 -7.456 -12.326 1.00 0.00 H new ATOM 0 HA ASN A 113 10.285 -5.871 -11.590 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.696 -5.429 -10.914 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.992 -4.942 -12.571 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.043 -2.017 -10.284 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.152 -3.378 -10.082 1.00 0.00 H new ATOM 1593 N GLN A 114 9.481 -6.112 -14.038 1.00 0.00 N ATOM 1594 CA GLN A 114 8.928 -5.966 -15.382 1.00 0.00 C ATOM 1595 C GLN A 114 8.759 -4.494 -15.803 1.00 0.00 C ATOM 1596 O GLN A 114 9.180 -4.129 -16.904 1.00 0.00 O ATOM 1597 CB GLN A 114 7.589 -6.707 -15.480 1.00 0.00 C ATOM 1598 CG GLN A 114 7.055 -6.836 -16.898 1.00 0.00 C ATOM 1599 CD GLN A 114 7.993 -7.614 -17.802 1.00 0.00 C ATOM 1600 OE1 GLN A 114 7.915 -8.837 -17.888 1.00 0.00 O ATOM 1601 NE2 GLN A 114 8.876 -6.912 -18.488 1.00 0.00 N ATOM 0 H GLN A 114 8.882 -6.636 -13.400 1.00 0.00 H new ATOM 0 HA GLN A 114 9.645 -6.408 -16.074 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.705 -7.704 -15.055 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.851 -6.185 -14.871 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.084 -7.331 -16.874 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.895 -5.842 -17.315 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.909 -5.897 -18.389 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.525 -7.384 -19.117 1.00 0.00 H new ATOM 1610 N PRO A 115 8.139 -3.627 -14.959 1.00 0.00 N ATOM 1611 CA PRO A 115 7.922 -2.212 -15.298 1.00 0.00 C ATOM 1612 C PRO A 115 9.193 -1.505 -15.773 1.00 0.00 C ATOM 1613 O PRO A 115 9.166 -0.765 -16.758 1.00 0.00 O ATOM 1614 CB PRO A 115 7.418 -1.581 -13.989 1.00 0.00 C ATOM 1615 CG PRO A 115 7.622 -2.616 -12.933 1.00 0.00 C ATOM 1616 CD PRO A 115 7.574 -3.940 -13.636 1.00 0.00 C ATOM 0 HA PRO A 115 7.222 -2.116 -16.128 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.970 -0.671 -13.756 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.367 -1.305 -14.068 1.00 0.00 H new ATOM 0 HG2 PRO A 115 8.579 -2.476 -12.429 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.847 -2.552 -12.169 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.160 -4.696 -13.114 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.556 -4.322 -13.711 1.00 0.00 H new ATOM 1624 N PHE A 116 10.308 -1.758 -15.094 1.00 0.00 N ATOM 1625 CA PHE A 116 11.568 -1.100 -15.424 1.00 0.00 C ATOM 1626 C PHE A 116 12.357 -1.883 -16.471 1.00 0.00 C ATOM 1627 O PHE A 116 13.512 -1.569 -16.751 1.00 0.00 O ATOM 1628 CB PHE A 116 12.413 -0.886 -14.165 1.00 0.00 C ATOM 1629 CG PHE A 116 11.883 0.197 -13.267 1.00 0.00 C ATOM 1630 CD1 PHE A 116 12.080 1.532 -13.584 1.00 0.00 C ATOM 1631 CD2 PHE A 116 11.188 -0.116 -12.109 1.00 0.00 C ATOM 1632 CE1 PHE A 116 11.596 2.532 -12.762 1.00 0.00 C ATOM 1633 CE2 PHE A 116 10.703 0.881 -11.285 1.00 0.00 C ATOM 1634 CZ PHE A 116 10.907 2.206 -11.612 1.00 0.00 C ATOM 0 H PHE A 116 10.365 -2.412 -14.314 1.00 0.00 H new ATOM 0 HA PHE A 116 11.326 -0.127 -15.852 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.461 -1.820 -13.606 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.433 -0.637 -14.459 1.00 0.00 H new ATOM 0 HD1 PHE A 116 12.618 1.794 -14.483 1.00 0.00 H new ATOM 0 HD2 PHE A 116 11.024 -1.151 -11.848 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.757 3.568 -13.020 1.00 0.00 H new ATOM 0 HE2 PHE A 116 10.164 0.624 -10.385 1.00 0.00 H new ATOM 0 HZ PHE A 116 10.528 2.986 -10.969 1.00 0.00 H new ATOM 1644 N ILE A 117 11.731 -2.900 -17.047 1.00 0.00 N ATOM 1645 CA ILE A 117 12.323 -3.626 -18.161 1.00 0.00 C ATOM 1646 C ILE A 117 11.664 -3.204 -19.472 1.00 0.00 C ATOM 1647 O ILE A 117 12.340 -3.000 -20.482 1.00 0.00 O ATOM 1648 CB ILE A 117 12.204 -5.163 -17.986 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.147 -5.645 -16.875 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.499 -5.890 -19.295 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.236 -7.152 -16.752 1.00 0.00 C ATOM 0 H ILE A 117 10.813 -3.241 -16.761 1.00 0.00 H new ATOM 0 HA ILE A 117 13.384 -3.376 -18.184 1.00 0.00 H new ATOM 0 HB ILE A 117 11.178 -5.395 -17.700 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.144 -5.247 -17.061 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.811 -5.232 -15.924 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.408 -6.965 -19.142 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.788 -5.570 -20.057 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.512 -5.654 -19.622 1.00 0.00 H new ATOM 0 HD11 ILE A 117 13.922 -7.411 -15.945 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.248 -7.558 -16.533 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.602 -7.573 -17.689 1.00 0.00 H new ATOM 1663 N ASN A 118 10.345 -3.037 -19.426 1.00 0.00 N ATOM 1664 CA ASN A 118 9.553 -2.699 -20.612 1.00 0.00 C ATOM 1665 C ASN A 118 10.045 -1.425 -21.281 1.00 0.00 C ATOM 1666 O ASN A 118 10.148 -1.354 -22.506 1.00 0.00 O ATOM 1667 CB ASN A 118 8.080 -2.514 -20.242 1.00 0.00 C ATOM 1668 CG ASN A 118 7.413 -3.794 -19.785 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.773 -4.885 -20.221 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.435 -3.664 -18.902 1.00 0.00 N ATOM 0 H ASN A 118 9.795 -3.131 -18.572 1.00 0.00 H new ATOM 0 HA ASN A 118 9.666 -3.529 -21.309 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.002 -1.769 -19.450 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.542 -2.120 -21.104 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.947 -4.490 -18.556 1.00 0.00 H new ATOM 0 HD22 ASN A 118 6.170 -2.738 -18.568 1.00 0.00 H new ATOM 1677 N GLU A 119 10.345 -0.421 -20.473 1.00 0.00 N ATOM 1678 CA GLU A 119 10.709 0.885 -20.997 1.00 0.00 C ATOM 1679 C GLU A 119 12.059 0.843 -21.703 1.00 0.00 C ATOM 1680 O GLU A 119 12.254 1.513 -22.714 1.00 0.00 O ATOM 1681 CB GLU A 119 10.713 1.924 -19.879 1.00 0.00 C ATOM 1682 CG GLU A 119 9.399 1.976 -19.121 1.00 0.00 C ATOM 1683 CD GLU A 119 9.282 3.194 -18.239 1.00 0.00 C ATOM 1684 OE1 GLU A 119 9.999 3.271 -17.221 1.00 0.00 O ATOM 1685 OE2 GLU A 119 8.461 4.079 -18.555 1.00 0.00 O ATOM 0 H GLU A 119 10.344 -0.485 -19.455 1.00 0.00 H new ATOM 0 HA GLU A 119 9.961 1.173 -21.736 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.521 1.699 -19.182 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.922 2.906 -20.303 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.573 1.968 -19.833 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.302 1.079 -18.509 1.00 0.00 H new ATOM 1692 N ILE A 120 12.984 0.041 -21.183 1.00 0.00 N ATOM 1693 CA ILE A 120 14.286 -0.109 -21.810 1.00 0.00 C ATOM 1694 C ILE A 120 14.144 -0.682 -23.220 1.00 0.00 C ATOM 1695 O ILE A 120 14.632 -0.091 -24.176 1.00 0.00 O ATOM 1696 CB ILE A 120 15.248 -0.988 -20.963 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.926 -0.158 -19.869 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.311 -1.646 -21.836 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.999 0.364 -18.794 1.00 0.00 C ATOM 0 H ILE A 120 12.854 -0.510 -20.335 1.00 0.00 H new ATOM 0 HA ILE A 120 14.726 0.886 -21.874 1.00 0.00 H new ATOM 0 HB ILE A 120 14.646 -1.769 -20.497 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.697 -0.767 -19.398 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.429 0.689 -20.336 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.968 -2.254 -21.214 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.829 -2.279 -22.581 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.897 -0.876 -22.338 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.572 0.938 -18.067 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.242 1.004 -19.246 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.514 -0.474 -18.293 1.00 0.00 H new ATOM 1711 N THR A 121 13.441 -1.805 -23.351 1.00 0.00 N ATOM 1712 CA THR A 121 13.305 -2.475 -24.641 1.00 0.00 C ATOM 1713 C THR A 121 12.649 -1.580 -25.687 1.00 0.00 C ATOM 1714 O THR A 121 13.099 -1.522 -26.832 1.00 0.00 O ATOM 1715 CB THR A 121 12.504 -3.778 -24.507 1.00 0.00 C ATOM 1716 OG1 THR A 121 11.550 -3.662 -23.443 1.00 0.00 O ATOM 1717 CG2 THR A 121 13.431 -4.949 -24.245 1.00 0.00 C ATOM 0 H THR A 121 12.958 -2.269 -22.581 1.00 0.00 H new ATOM 0 HA THR A 121 14.316 -2.707 -24.976 1.00 0.00 H new ATOM 0 HB THR A 121 11.975 -3.956 -25.443 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.146 -2.769 -23.462 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.845 -5.863 -24.153 1.00 0.00 H new ATOM 0 HG22 THR A 121 14.133 -5.050 -25.073 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.982 -4.777 -23.321 1.00 0.00 H new ATOM 1725 N GLN A 122 11.597 -0.873 -25.286 1.00 0.00 N ATOM 1726 CA GLN A 122 10.892 0.022 -26.194 1.00 0.00 C ATOM 1727 C GLN A 122 11.825 1.125 -26.690 1.00 0.00 C ATOM 1728 O GLN A 122 11.847 1.450 -27.877 1.00 0.00 O ATOM 1729 CB GLN A 122 9.670 0.641 -25.509 1.00 0.00 C ATOM 1730 CG GLN A 122 8.652 -0.377 -25.010 1.00 0.00 C ATOM 1731 CD GLN A 122 8.102 -1.257 -26.115 1.00 0.00 C ATOM 1732 OE1 GLN A 122 7.110 -0.916 -26.760 1.00 0.00 O ATOM 1733 NE2 GLN A 122 8.723 -2.405 -26.328 1.00 0.00 N ATOM 0 H GLN A 122 11.215 -0.903 -24.341 1.00 0.00 H new ATOM 0 HA GLN A 122 10.552 -0.564 -27.048 1.00 0.00 H new ATOM 0 HB2 GLN A 122 10.007 1.245 -24.666 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.178 1.317 -26.209 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.117 -1.005 -24.251 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.828 0.148 -24.528 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.542 -2.652 -25.773 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.383 -3.043 -27.047 1.00 0.00 H new ATOM 1742 N LEU A 123 12.611 1.679 -25.775 1.00 0.00 N ATOM 1743 CA LEU A 123 13.524 2.767 -26.103 1.00 0.00 C ATOM 1744 C LEU A 123 14.744 2.266 -26.869 1.00 0.00 C ATOM 1745 O LEU A 123 15.204 2.933 -27.790 1.00 0.00 O ATOM 1746 CB LEU A 123 13.951 3.512 -24.835 1.00 0.00 C ATOM 1747 CG LEU A 123 13.031 4.664 -24.400 1.00 0.00 C ATOM 1748 CD1 LEU A 123 11.605 4.184 -24.174 1.00 0.00 C ATOM 1749 CD2 LEU A 123 13.574 5.320 -23.140 1.00 0.00 C ATOM 0 H LEU A 123 12.634 1.391 -24.797 1.00 0.00 H new ATOM 0 HA LEU A 123 12.990 3.461 -26.753 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.016 2.794 -24.018 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.954 3.910 -24.989 1.00 0.00 H new ATOM 0 HG LEU A 123 13.010 5.399 -25.205 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.982 5.025 -23.868 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.213 3.760 -25.099 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.597 3.423 -23.394 1.00 0.00 H new ATOM 0 HD21 LEU A 123 12.915 6.135 -22.841 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.626 4.582 -22.339 1.00 0.00 H new ATOM 0 HD23 LEU A 123 14.571 5.714 -23.336 1.00 0.00 H new ATOM 1761 N VAL A 124 15.264 1.098 -26.497 1.00 0.00 N ATOM 1762 CA VAL A 124 16.405 0.514 -27.205 1.00 0.00 C ATOM 1763 C VAL A 124 16.079 0.338 -28.677 1.00 0.00 C ATOM 1764 O VAL A 124 16.768 0.874 -29.539 1.00 0.00 O ATOM 1765 CB VAL A 124 16.831 -0.857 -26.626 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.886 -1.518 -27.510 1.00 0.00 C ATOM 1767 CG2 VAL A 124 17.363 -0.701 -25.210 1.00 0.00 C ATOM 0 H VAL A 124 14.918 0.540 -25.716 1.00 0.00 H new ATOM 0 HA VAL A 124 17.234 1.209 -27.076 1.00 0.00 H new ATOM 0 HB VAL A 124 15.949 -1.497 -26.601 1.00 0.00 H new ATOM 0 HG11 VAL A 124 18.169 -2.480 -27.082 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.479 -1.671 -28.509 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.764 -0.875 -27.571 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.657 -1.676 -24.822 1.00 0.00 H new ATOM 0 HG22 VAL A 124 18.228 -0.038 -25.217 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.586 -0.277 -24.574 1.00 0.00 H new ATOM 1777 N SER A 125 15.004 -0.389 -28.951 1.00 0.00 N ATOM 1778 CA SER A 125 14.608 -0.700 -30.314 1.00 0.00 C ATOM 1779 C SER A 125 14.341 0.580 -31.110 1.00 0.00 C ATOM 1780 O SER A 125 14.660 0.666 -32.297 1.00 0.00 O ATOM 1781 CB SER A 125 13.365 -1.592 -30.289 1.00 0.00 C ATOM 1782 OG SER A 125 13.122 -2.187 -31.554 1.00 0.00 O ATOM 0 H SER A 125 14.386 -0.777 -28.238 1.00 0.00 H new ATOM 0 HA SER A 125 15.421 -1.232 -30.808 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.491 -2.372 -29.538 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.499 -1.001 -29.992 1.00 0.00 H new ATOM 0 HG SER A 125 12.322 -2.751 -31.502 1.00 0.00 H new ATOM 1788 N MET A 126 13.780 1.579 -30.441 1.00 0.00 N ATOM 1789 CA MET A 126 13.465 2.851 -31.075 1.00 0.00 C ATOM 1790 C MET A 126 14.729 3.672 -31.339 1.00 0.00 C ATOM 1791 O MET A 126 14.984 4.090 -32.469 1.00 0.00 O ATOM 1792 CB MET A 126 12.496 3.644 -30.195 1.00 0.00 C ATOM 1793 CG MET A 126 12.106 4.992 -30.779 1.00 0.00 C ATOM 1794 SD MET A 126 10.925 5.886 -29.749 1.00 0.00 S ATOM 1795 CE MET A 126 11.860 6.052 -28.235 1.00 0.00 C ATOM 0 H MET A 126 13.533 1.531 -29.453 1.00 0.00 H new ATOM 0 HA MET A 126 12.995 2.643 -32.037 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.595 3.052 -30.037 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.951 3.799 -29.217 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.002 5.600 -30.908 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.677 4.843 -31.770 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.560 6.965 -27.721 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.667 5.193 -27.592 1.00 0.00 H new ATOM 0 HE3 MET A 126 12.924 6.099 -28.468 1.00 0.00 H new ATOM 1805 N PHE A 127 15.526 3.886 -30.296 1.00 0.00 N ATOM 1806 CA PHE A 127 16.714 4.734 -30.393 1.00 0.00 C ATOM 1807 C PHE A 127 17.813 4.082 -31.232 1.00 0.00 C ATOM 1808 O PHE A 127 18.639 4.775 -31.826 1.00 0.00 O ATOM 1809 CB PHE A 127 17.244 5.081 -28.994 1.00 0.00 C ATOM 1810 CG PHE A 127 16.429 6.118 -28.268 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.147 7.340 -28.858 1.00 0.00 C ATOM 1812 CD2 PHE A 127 15.956 5.872 -26.989 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.409 8.297 -28.186 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.217 6.824 -26.313 1.00 0.00 C ATOM 1815 CZ PHE A 127 14.943 8.038 -26.911 1.00 0.00 C ATOM 0 H PHE A 127 15.372 3.484 -29.371 1.00 0.00 H new ATOM 0 HA PHE A 127 16.417 5.653 -30.898 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.275 4.172 -28.393 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.270 5.438 -29.084 1.00 0.00 H new ATOM 0 HD1 PHE A 127 16.508 7.547 -29.855 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.167 4.925 -26.515 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.197 9.246 -28.657 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.854 6.618 -25.317 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.366 8.783 -26.384 1.00 0.00 H new ATOM 1825 N ALA A 128 17.815 2.755 -31.293 1.00 0.00 N ATOM 1826 CA ALA A 128 18.817 2.022 -32.065 1.00 0.00 C ATOM 1827 C ALA A 128 18.708 2.337 -33.549 1.00 0.00 C ATOM 1828 O ALA A 128 19.708 2.367 -34.267 1.00 0.00 O ATOM 1829 CB ALA A 128 18.674 0.524 -31.845 1.00 0.00 C ATOM 0 H ALA A 128 17.134 2.163 -30.817 1.00 0.00 H new ATOM 0 HA ALA A 128 19.799 2.341 -31.715 1.00 0.00 H new ATOM 0 HB1 ALA A 128 19.429 -0.003 -32.428 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.809 0.297 -30.787 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.682 0.203 -32.161 1.00 0.00 H new ATOM 1835 N GLN A 129 17.492 2.598 -34.000 1.00 0.00 N ATOM 1836 CA GLN A 129 17.239 2.838 -35.412 1.00 0.00 C ATOM 1837 C GLN A 129 17.872 4.148 -35.871 1.00 0.00 C ATOM 1838 O GLN A 129 18.085 4.358 -37.061 1.00 0.00 O ATOM 1839 CB GLN A 129 15.738 2.818 -35.682 1.00 0.00 C ATOM 1840 CG GLN A 129 15.126 1.460 -35.392 1.00 0.00 C ATOM 1841 CD GLN A 129 13.624 1.420 -35.569 1.00 0.00 C ATOM 1842 OE1 GLN A 129 13.058 2.137 -36.394 1.00 0.00 O ATOM 1843 NE2 GLN A 129 12.973 0.576 -34.789 1.00 0.00 N ATOM 0 H GLN A 129 16.663 2.649 -33.408 1.00 0.00 H new ATOM 0 HA GLN A 129 17.703 2.039 -35.991 1.00 0.00 H new ATOM 0 HB2 GLN A 129 15.249 3.574 -35.068 1.00 0.00 H new ATOM 0 HB3 GLN A 129 15.553 3.084 -36.723 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.580 0.719 -36.049 1.00 0.00 H new ATOM 0 HG3 GLN A 129 15.370 1.172 -34.370 1.00 0.00 H new ATOM 0 HE21 GLN A 129 13.485 0.002 -34.120 1.00 0.00 H new ATOM 0 HE22 GLN A 129 11.958 0.499 -34.856 1.00 0.00 H new