USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 854 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 67 ASN : amide:sc= -1.46! C(o=-0.71!,f=-12!) USER MOD Set 1.2: A 68 THR OG1 : rot 57:sc= 0.749 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 50 GLN : amide:sc= 0.421 X(o=0.42,f=0.2) USER MOD Set 3.1: A 36 GLN : amide:sc= 0.555 K(o=1.4,f=-7.1!) USER MOD Set 3.2: A 81 SER OG : rot 62:sc= 0.798 USER MOD Set 4.1: A 16 MET CE :methyl -145:sc= -4.17! (180deg=-5.18!) USER MOD Set 4.2: A 19 THR OG1 : rot -90:sc= 0.0044 USER MOD Set 5.1: A 13 ASN : amide:sc= -0.338 K(o=0.83,f=-0.77!) USER MOD Set 5.2: A 17 THR OG1 : rot 88:sc= 1.17 USER MOD Single : A 10 THR OG1 : rot 180:sc=0.000209 USER MOD Single : A 11 ASN : amide:sc= -1.08 K(o=-1.1,f=-7.1!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 1.16 K(o=1.2,f=-0.069) USER MOD Single : A 21 ASN : amide:sc= -0.0622 K(o=-0.062,f=-1.9!) USER MOD Single : A 24 GLN : amide:sc= -0.855 K(o=-0.86,f=-2!) USER MOD Single : A 27 SER OG : rot 34:sc= 1.48 USER MOD Single : A 29 SER OG : rot -89:sc= 1.56 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.744 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -147:sc= -0.311 (180deg=-1.09) USER MOD Single : A 42 MET CE :methyl 136:sc= -0.0476 (180deg=-1.09) USER MOD Single : A 43 MET CE :methyl -148:sc= 0 (180deg=-1.46) USER MOD Single : A 48 ASN : amide:sc= 0.645 K(o=0.65,f=-8.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -146:sc= -1.2 (180deg=-2.51!) USER MOD Single : A 52 GLN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -150:sc= -1.98! (180deg=-2.64!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 61 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.42) USER MOD Single : A 66 MET CE :methyl -134:sc= -0.0403 (180deg=-0.577) USER MOD Single : A 70 MET CE :methyl 173:sc= -0.0367 (180deg=-0.163) USER MOD Single : A 80 THR OG1 : rot 82:sc= 1.31 USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 85 SER OG : rot 170:sc= -0.23 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0749 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.2 K(o=1.2,f=-0.046) USER MOD Single : A 92 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 100 SER OG : rot 87:sc= 1.23 USER MOD Single : A 101 MET CE :methyl 157:sc= -0.235 (180deg=-1.15) USER MOD Single : A 102 MET CE :methyl -157:sc= -0.47 (180deg=-1.6!) USER MOD Single : A 103 GLN : amide:sc= -0.213 K(o=-0.21,f=-0.75) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.056) USER MOD Single : A 113 THR OG1 : rot -103:sc= 1.22 USER MOD Single : A 114 ASN : amide:sc= -0.0104 X(o=-0.01,f=-0.25) USER MOD Single : A 117 MET CE :methyl -160:sc= 0 (180deg=-0.0878) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl -150:sc= -2.25! (180deg=-2.85) USER MOD Single : A 124 SER OG : rot 83:sc= -0.574 USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.527 7.983 -3.455 1.00 0.00 N ATOM 82 CA ILE A 8 8.247 9.199 -2.693 1.00 0.00 C ATOM 83 C ILE A 8 7.725 10.335 -3.582 1.00 0.00 C ATOM 84 O ILE A 8 6.915 11.149 -3.138 1.00 0.00 O ATOM 85 CB ILE A 8 9.503 9.668 -1.910 1.00 0.00 C ATOM 86 CG1 ILE A 8 9.201 10.917 -1.079 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.668 9.926 -2.853 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.204 10.683 0.035 1.00 0.00 C ATOM 0 HA ILE A 8 7.460 8.948 -1.982 1.00 0.00 H new ATOM 0 HB ILE A 8 9.785 8.866 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.131 11.290 -0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.819 11.697 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.535 10.253 -2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.913 9.009 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.393 10.701 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.041 11.613 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.260 10.340 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.592 9.927 0.717 1.00 0.00 H new ATOM 100 N TRP A 9 8.154 10.374 -4.842 1.00 0.00 N ATOM 101 CA TRP A 9 7.720 11.430 -5.760 1.00 0.00 C ATOM 102 C TRP A 9 6.349 11.092 -6.350 1.00 0.00 C ATOM 103 O TRP A 9 5.990 11.559 -7.429 1.00 0.00 O ATOM 104 CB TRP A 9 8.745 11.634 -6.885 1.00 0.00 C ATOM 105 CG TRP A 9 10.108 12.048 -6.402 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.190 11.238 -6.193 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.539 13.376 -6.073 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.259 11.979 -5.751 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.885 13.294 -5.669 1.00 0.00 C ATOM 110 CE3 TRP A 9 9.916 14.629 -6.080 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.618 14.412 -5.279 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.645 15.740 -5.689 1.00 0.00 C ATOM 113 CH2 TRP A 9 11.982 15.625 -5.294 1.00 0.00 C ATOM 0 H TRP A 9 8.796 9.694 -5.250 1.00 0.00 H new ATOM 0 HA TRP A 9 7.642 12.359 -5.195 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.837 10.707 -7.451 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.369 12.391 -7.573 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.202 10.170 -6.352 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.182 11.610 -5.521 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.885 14.728 -6.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.651 14.326 -4.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.173 16.711 -5.689 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.524 16.510 -4.995 1.00 0.00 H new ATOM 124 N THR A 10 5.592 10.294 -5.611 1.00 0.00 N ATOM 125 CA THR A 10 4.276 9.841 -6.028 1.00 0.00 C ATOM 126 C THR A 10 3.315 11.014 -6.212 1.00 0.00 C ATOM 127 O THR A 10 2.622 11.113 -7.229 1.00 0.00 O ATOM 128 CB THR A 10 3.700 8.876 -4.974 1.00 0.00 C ATOM 129 OG1 THR A 10 4.687 7.889 -4.633 1.00 0.00 O ATOM 130 CG2 THR A 10 2.440 8.191 -5.484 1.00 0.00 C ATOM 0 H THR A 10 5.878 9.941 -4.698 1.00 0.00 H new ATOM 0 HA THR A 10 4.385 9.331 -6.985 1.00 0.00 H new ATOM 0 HB THR A 10 3.436 9.454 -4.089 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.319 7.277 -3.961 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.057 7.516 -4.718 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.685 8.943 -5.716 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.674 7.622 -6.384 1.00 0.00 H new ATOM 138 N ASN A 11 3.275 11.894 -5.220 1.00 0.00 N ATOM 139 CA ASN A 11 2.395 13.044 -5.247 1.00 0.00 C ATOM 140 C ASN A 11 3.075 14.256 -4.617 1.00 0.00 C ATOM 141 O ASN A 11 3.933 14.113 -3.742 1.00 0.00 O ATOM 142 CB ASN A 11 1.074 12.747 -4.522 1.00 0.00 C ATOM 143 CG ASN A 11 1.251 12.266 -3.096 1.00 0.00 C ATOM 144 OD1 ASN A 11 2.151 11.494 -2.788 1.00 0.00 O ATOM 145 ND2 ASN A 11 0.389 12.735 -2.210 1.00 0.00 N ATOM 0 H ASN A 11 3.850 11.827 -4.380 1.00 0.00 H new ATOM 0 HA ASN A 11 2.172 13.267 -6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.463 13.649 -4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.524 11.992 -5.084 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.460 12.455 -1.232 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.347 13.376 -2.505 1.00 0.00 H new ATOM 152 N PRO A 12 2.696 15.461 -5.076 1.00 0.00 N ATOM 153 CA PRO A 12 3.244 16.733 -4.589 1.00 0.00 C ATOM 154 C PRO A 12 3.371 16.816 -3.071 1.00 0.00 C ATOM 155 O PRO A 12 4.435 17.159 -2.553 1.00 0.00 O ATOM 156 CB PRO A 12 2.225 17.758 -5.086 1.00 0.00 C ATOM 157 CG PRO A 12 1.668 17.167 -6.334 1.00 0.00 C ATOM 158 CD PRO A 12 1.713 15.669 -6.155 1.00 0.00 C ATOM 0 HA PRO A 12 4.262 16.883 -4.949 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.443 17.929 -4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.696 18.722 -5.281 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.646 17.507 -6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.252 17.472 -7.202 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.735 15.271 -5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.018 15.168 -7.073 1.00 0.00 H new ATOM 166 N ASN A 13 2.289 16.499 -2.365 1.00 0.00 N ATOM 167 CA ASN A 13 2.265 16.597 -0.909 1.00 0.00 C ATOM 168 C ASN A 13 3.379 15.752 -0.297 1.00 0.00 C ATOM 169 O ASN A 13 4.107 16.208 0.585 1.00 0.00 O ATOM 170 CB ASN A 13 0.900 16.147 -0.371 1.00 0.00 C ATOM 171 CG ASN A 13 0.697 16.463 1.105 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.640 16.486 1.893 1.00 0.00 O ATOM 173 ND2 ASN A 13 -0.543 16.708 1.495 1.00 0.00 N ATOM 0 H ASN A 13 1.416 16.172 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 13 2.428 17.638 -0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.113 16.630 -0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.794 15.073 -0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.737 16.923 2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.305 16.682 0.818 1.00 0.00 H new ATOM 180 N ALA A 14 3.543 14.545 -0.816 1.00 0.00 N ATOM 181 CA ALA A 14 4.494 13.589 -0.263 1.00 0.00 C ATOM 182 C ALA A 14 5.924 14.085 -0.423 1.00 0.00 C ATOM 183 O ALA A 14 6.712 14.075 0.523 1.00 0.00 O ATOM 184 CB ALA A 14 4.324 12.241 -0.941 1.00 0.00 C ATOM 0 H ALA A 14 3.026 14.201 -1.625 1.00 0.00 H new ATOM 0 HA ALA A 14 4.294 13.481 0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.038 11.531 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.310 11.876 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.502 12.347 -2.011 1.00 0.00 H new ATOM 190 N ALA A 15 6.238 14.541 -1.621 1.00 0.00 N ATOM 191 CA ALA A 15 7.582 14.995 -1.940 1.00 0.00 C ATOM 192 C ALA A 15 7.917 16.289 -1.215 1.00 0.00 C ATOM 193 O ALA A 15 8.992 16.422 -0.638 1.00 0.00 O ATOM 194 CB ALA A 15 7.729 15.167 -3.442 1.00 0.00 C ATOM 0 H ALA A 15 5.577 14.608 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 15 8.288 14.237 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.739 15.507 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.546 14.213 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.008 15.904 -3.796 1.00 0.00 H new ATOM 200 N MET A 16 6.984 17.229 -1.224 1.00 0.00 N ATOM 201 CA MET A 16 7.204 18.527 -0.608 1.00 0.00 C ATOM 202 C MET A 16 7.370 18.394 0.899 1.00 0.00 C ATOM 203 O MET A 16 8.091 19.176 1.523 1.00 0.00 O ATOM 204 CB MET A 16 6.044 19.465 -0.933 1.00 0.00 C ATOM 205 CG MET A 16 6.429 20.662 -1.787 1.00 0.00 C ATOM 206 SD MET A 16 7.524 21.832 -0.948 1.00 0.00 S ATOM 207 CE MET A 16 9.143 21.302 -1.518 1.00 0.00 C ATOM 0 H MET A 16 6.065 17.116 -1.652 1.00 0.00 H new ATOM 0 HA MET A 16 8.124 18.947 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.268 18.899 -1.449 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.609 19.824 0.000 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.918 20.307 -2.695 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.523 21.183 -2.096 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.872 21.436 -0.719 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.103 20.250 -1.800 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.438 21.898 -2.382 1.00 0.00 H new ATOM 217 N THR A 17 6.715 17.396 1.478 1.00 0.00 N ATOM 218 CA THR A 17 6.818 17.144 2.906 1.00 0.00 C ATOM 219 C THR A 17 8.267 16.868 3.316 1.00 0.00 C ATOM 220 O THR A 17 8.793 17.511 4.224 1.00 0.00 O ATOM 221 CB THR A 17 5.918 15.964 3.336 1.00 0.00 C ATOM 222 OG1 THR A 17 4.541 16.309 3.148 1.00 0.00 O ATOM 223 CG2 THR A 17 6.152 15.595 4.797 1.00 0.00 C ATOM 0 H THR A 17 6.106 16.748 0.978 1.00 0.00 H new ATOM 0 HA THR A 17 6.475 18.045 3.416 1.00 0.00 H new ATOM 0 HB THR A 17 6.173 15.104 2.717 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.266 16.075 2.237 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.505 14.762 5.070 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.194 15.306 4.937 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.925 16.453 5.430 1.00 0.00 H new ATOM 231 N MET A 18 8.921 15.939 2.621 1.00 0.00 N ATOM 232 CA MET A 18 10.288 15.558 2.972 1.00 0.00 C ATOM 233 C MET A 18 11.251 16.723 2.750 1.00 0.00 C ATOM 234 O MET A 18 12.199 16.903 3.510 1.00 0.00 O ATOM 235 CB MET A 18 10.752 14.335 2.169 1.00 0.00 C ATOM 236 CG MET A 18 10.939 14.610 0.688 1.00 0.00 C ATOM 237 SD MET A 18 11.623 13.214 -0.214 1.00 0.00 S ATOM 238 CE MET A 18 11.694 13.919 -1.856 1.00 0.00 C ATOM 0 H MET A 18 8.532 15.441 1.820 1.00 0.00 H new ATOM 0 HA MET A 18 10.291 15.294 4.030 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.694 13.975 2.584 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.023 13.534 2.291 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.977 14.880 0.251 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.597 15.470 0.566 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.098 13.183 -2.551 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.691 14.205 -2.173 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.336 14.800 -1.846 1.00 0.00 H new ATOM 248 N THR A 19 11.000 17.514 1.711 1.00 0.00 N ATOM 249 CA THR A 19 11.843 18.661 1.401 1.00 0.00 C ATOM 250 C THR A 19 11.801 19.692 2.533 1.00 0.00 C ATOM 251 O THR A 19 12.837 20.203 2.960 1.00 0.00 O ATOM 252 CB THR A 19 11.387 19.329 0.093 1.00 0.00 C ATOM 253 OG1 THR A 19 11.003 18.327 -0.851 1.00 0.00 O ATOM 254 CG2 THR A 19 12.494 20.178 -0.510 1.00 0.00 C ATOM 0 H THR A 19 10.218 17.380 1.070 1.00 0.00 H new ATOM 0 HA THR A 19 12.865 18.299 1.286 1.00 0.00 H new ATOM 0 HB THR A 19 10.540 19.975 0.325 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.781 18.067 -1.387 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.139 20.636 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.780 20.958 0.196 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.358 19.550 -0.725 1.00 0.00 H new ATOM 262 N ASN A 20 10.596 19.976 3.026 1.00 0.00 N ATOM 263 CA ASN A 20 10.410 20.956 4.095 1.00 0.00 C ATOM 264 C ASN A 20 11.022 20.465 5.395 1.00 0.00 C ATOM 265 O ASN A 20 11.728 21.206 6.081 1.00 0.00 O ATOM 266 CB ASN A 20 8.924 21.259 4.309 1.00 0.00 C ATOM 267 CG ASN A 20 8.383 22.281 3.328 1.00 0.00 C ATOM 268 OD1 ASN A 20 8.400 23.482 3.592 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.893 21.815 2.193 1.00 0.00 N ATOM 0 H ASN A 20 9.733 19.540 2.701 1.00 0.00 H new ATOM 0 HA ASN A 20 10.916 21.872 3.790 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.353 20.335 4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.775 21.624 5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.511 22.459 1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.896 20.812 2.010 1.00 0.00 H new ATOM 276 N ASN A 21 10.759 19.206 5.725 1.00 0.00 N ATOM 277 CA ASN A 21 11.269 18.617 6.951 1.00 0.00 C ATOM 278 C ASN A 21 12.795 18.554 6.941 1.00 0.00 C ATOM 279 O ASN A 21 13.434 18.624 7.993 1.00 0.00 O ATOM 280 CB ASN A 21 10.686 17.222 7.160 1.00 0.00 C ATOM 281 CG ASN A 21 9.207 17.244 7.494 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.461 18.115 7.047 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.775 16.290 8.299 1.00 0.00 N ATOM 0 H ASN A 21 10.194 18.575 5.157 1.00 0.00 H new ATOM 0 HA ASN A 21 10.960 19.255 7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.841 16.630 6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.228 16.724 7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.792 16.258 8.570 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.424 15.585 8.649 1.00 0.00 H new ATOM 290 N LEU A 22 13.374 18.435 5.753 1.00 0.00 N ATOM 291 CA LEU A 22 14.823 18.450 5.602 1.00 0.00 C ATOM 292 C LEU A 22 15.378 19.797 6.046 1.00 0.00 C ATOM 293 O LEU A 22 16.366 19.866 6.778 1.00 0.00 O ATOM 294 CB LEU A 22 15.208 18.178 4.143 1.00 0.00 C ATOM 295 CG LEU A 22 16.705 18.269 3.827 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.484 17.192 4.565 1.00 0.00 C ATOM 297 CD2 LEU A 22 16.938 18.165 2.328 1.00 0.00 C ATOM 0 H LEU A 22 12.861 18.327 4.878 1.00 0.00 H new ATOM 0 HA LEU A 22 15.249 17.666 6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.857 17.182 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.677 18.886 3.507 1.00 0.00 H new ATOM 0 HG LEU A 22 17.066 19.239 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.543 17.279 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.346 17.314 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.122 16.209 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.006 18.231 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.557 17.210 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.419 18.979 1.822 1.00 0.00 H new ATOM 309 N VAL A 23 14.716 20.861 5.613 1.00 0.00 N ATOM 310 CA VAL A 23 15.122 22.216 5.956 1.00 0.00 C ATOM 311 C VAL A 23 15.000 22.456 7.458 1.00 0.00 C ATOM 312 O VAL A 23 15.929 22.955 8.093 1.00 0.00 O ATOM 313 CB VAL A 23 14.275 23.266 5.202 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.738 24.677 5.534 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.326 23.021 3.701 1.00 0.00 C ATOM 0 H VAL A 23 13.889 20.810 5.019 1.00 0.00 H new ATOM 0 HA VAL A 23 16.164 22.324 5.656 1.00 0.00 H new ATOM 0 HB VAL A 23 13.240 23.165 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.127 25.398 4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.638 24.850 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.782 24.795 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.723 23.771 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.358 23.088 3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.933 22.028 3.481 1.00 0.00 H new ATOM 325 N GLN A 24 13.863 22.066 8.031 1.00 0.00 N ATOM 326 CA GLN A 24 13.603 22.311 9.447 1.00 0.00 C ATOM 327 C GLN A 24 14.560 21.498 10.318 1.00 0.00 C ATOM 328 O GLN A 24 14.980 21.949 11.382 1.00 0.00 O ATOM 329 CB GLN A 24 12.127 22.021 9.797 1.00 0.00 C ATOM 330 CG GLN A 24 11.717 20.557 9.721 1.00 0.00 C ATOM 331 CD GLN A 24 12.032 19.774 10.983 1.00 0.00 C ATOM 332 OE1 GLN A 24 12.033 20.319 12.085 1.00 0.00 O ATOM 333 NE2 GLN A 24 12.316 18.492 10.826 1.00 0.00 N ATOM 0 H GLN A 24 13.112 21.582 7.540 1.00 0.00 H new ATOM 0 HA GLN A 24 13.783 23.366 9.653 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.932 22.384 10.806 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.491 22.595 9.123 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.647 20.497 9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.224 20.089 8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.304 18.077 9.894 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.547 17.918 11.637 1.00 0.00 H new ATOM 342 N CYS A 25 14.926 20.313 9.842 1.00 0.00 N ATOM 343 CA CYS A 25 15.845 19.454 10.571 1.00 0.00 C ATOM 344 C CYS A 25 17.251 20.039 10.532 1.00 0.00 C ATOM 345 O CYS A 25 17.919 20.138 11.561 1.00 0.00 O ATOM 346 CB CYS A 25 15.842 18.037 9.988 1.00 0.00 C ATOM 347 SG CYS A 25 16.945 16.870 10.851 1.00 0.00 S ATOM 0 H CYS A 25 14.600 19.928 8.956 1.00 0.00 H new ATOM 0 HA CYS A 25 15.515 19.397 11.608 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.825 17.647 10.017 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.134 18.087 8.939 1.00 0.00 H new ATOM 352 N ALA A 26 17.685 20.464 9.348 1.00 0.00 N ATOM 353 CA ALA A 26 19.008 21.050 9.193 1.00 0.00 C ATOM 354 C ALA A 26 19.097 22.389 9.918 1.00 0.00 C ATOM 355 O ALA A 26 20.185 22.846 10.267 1.00 0.00 O ATOM 356 CB ALA A 26 19.347 21.212 7.720 1.00 0.00 C ATOM 0 H ALA A 26 17.140 20.413 8.487 1.00 0.00 H new ATOM 0 HA ALA A 26 19.736 20.375 9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.340 21.652 7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.332 20.237 7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.613 21.864 7.247 1.00 0.00 H new ATOM 362 N SER A 27 17.946 23.008 10.148 1.00 0.00 N ATOM 363 CA SER A 27 17.882 24.257 10.891 1.00 0.00 C ATOM 364 C SER A 27 18.186 24.014 12.366 1.00 0.00 C ATOM 365 O SER A 27 18.790 24.848 13.035 1.00 0.00 O ATOM 366 CB SER A 27 16.493 24.884 10.742 1.00 0.00 C ATOM 367 OG SER A 27 16.443 26.178 11.321 1.00 0.00 O ATOM 0 H SER A 27 17.041 22.662 9.828 1.00 0.00 H new ATOM 0 HA SER A 27 18.628 24.941 10.487 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.232 24.946 9.686 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.750 24.243 11.216 1.00 0.00 H new ATOM 0 HG SER A 27 17.308 26.623 11.202 1.00 0.00 H new ATOM 373 N ARG A 28 17.797 22.848 12.857 1.00 0.00 N ATOM 374 CA ARG A 28 17.931 22.537 14.271 1.00 0.00 C ATOM 375 C ARG A 28 19.188 21.716 14.516 1.00 0.00 C ATOM 376 O ARG A 28 19.378 21.153 15.596 1.00 0.00 O ATOM 377 CB ARG A 28 16.706 21.766 14.763 1.00 0.00 C ATOM 378 CG ARG A 28 15.383 22.478 14.535 1.00 0.00 C ATOM 379 CD ARG A 28 15.329 23.829 15.230 1.00 0.00 C ATOM 380 NE ARG A 28 14.011 24.447 15.096 1.00 0.00 N ATOM 381 CZ ARG A 28 13.776 25.752 15.210 1.00 0.00 C ATOM 382 NH1 ARG A 28 14.767 26.590 15.490 1.00 0.00 N ATOM 383 NH2 ARG A 28 12.545 26.216 15.041 1.00 0.00 N ATOM 0 H ARG A 28 17.386 22.101 12.297 1.00 0.00 H new ATOM 0 HA ARG A 28 18.007 23.474 14.823 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.675 20.799 14.262 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.820 21.569 15.829 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.226 22.616 13.465 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.568 21.852 14.899 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.569 23.706 16.286 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.086 24.488 14.806 1.00 0.00 H new ATOM 0 HE ARG A 28 13.217 23.836 14.902 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.714 26.235 15.619 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.581 27.589 15.576 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.783 25.573 14.825 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.360 27.215 15.127 1.00 0.00 H new ATOM 397 N SER A 29 20.047 21.656 13.510 1.00 0.00 N ATOM 398 CA SER A 29 21.264 20.868 13.595 1.00 0.00 C ATOM 399 C SER A 29 22.247 21.487 14.581 1.00 0.00 C ATOM 400 O SER A 29 22.871 20.790 15.379 1.00 0.00 O ATOM 401 CB SER A 29 21.923 20.764 12.218 1.00 0.00 C ATOM 402 OG SER A 29 22.254 22.052 11.712 1.00 0.00 O ATOM 0 H SER A 29 19.922 22.145 12.624 1.00 0.00 H new ATOM 0 HA SER A 29 20.995 19.872 13.947 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.824 20.154 12.287 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.249 20.260 11.526 1.00 0.00 H new ATOM 0 HG SER A 29 21.495 22.409 11.206 1.00 0.00 H new ATOM 408 N GLY A 30 22.370 22.807 14.514 1.00 0.00 N ATOM 409 CA GLY A 30 23.370 23.501 15.296 1.00 0.00 C ATOM 410 C GLY A 30 24.705 23.505 14.581 1.00 0.00 C ATOM 411 O GLY A 30 25.709 23.990 15.105 1.00 0.00 O ATOM 0 H GLY A 30 21.791 23.410 13.929 1.00 0.00 H new ATOM 0 HA2 GLY A 30 23.048 24.526 15.479 1.00 0.00 H new ATOM 0 HA3 GLY A 30 23.475 23.021 16.269 1.00 0.00 H new ATOM 415 N VAL A 31 24.697 22.957 13.373 1.00 0.00 N ATOM 416 CA VAL A 31 25.899 22.830 12.567 1.00 0.00 C ATOM 417 C VAL A 31 25.909 23.874 11.459 1.00 0.00 C ATOM 418 O VAL A 31 26.948 24.461 11.152 1.00 0.00 O ATOM 419 CB VAL A 31 25.995 21.420 11.943 1.00 0.00 C ATOM 420 CG1 VAL A 31 27.266 21.272 11.120 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.933 20.351 13.024 1.00 0.00 C ATOM 0 H VAL A 31 23.857 22.589 12.927 1.00 0.00 H new ATOM 0 HA VAL A 31 26.757 22.988 13.220 1.00 0.00 H new ATOM 0 HB VAL A 31 25.143 21.289 11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.308 20.270 10.692 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.268 22.009 10.317 1.00 0.00 H new ATOM 0 HG13 VAL A 31 28.134 21.430 11.760 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.002 19.365 12.565 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.762 20.487 13.718 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.990 20.434 13.564 1.00 0.00 H new ATOM 431 N LEU A 32 24.744 24.113 10.870 1.00 0.00 N ATOM 432 CA LEU A 32 24.638 25.045 9.757 1.00 0.00 C ATOM 433 C LEU A 32 24.509 26.475 10.249 1.00 0.00 C ATOM 434 O LEU A 32 24.269 26.726 11.432 1.00 0.00 O ATOM 435 CB LEU A 32 23.432 24.720 8.874 1.00 0.00 C ATOM 436 CG LEU A 32 23.387 23.304 8.309 1.00 0.00 C ATOM 437 CD1 LEU A 32 22.194 23.141 7.386 1.00 0.00 C ATOM 438 CD2 LEU A 32 24.666 22.960 7.569 1.00 0.00 C ATOM 0 H LEU A 32 23.864 23.676 11.143 1.00 0.00 H new ATOM 0 HA LEU A 32 25.552 24.943 9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.525 24.889 9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.414 25.424 8.042 1.00 0.00 H new ATOM 0 HG LEU A 32 23.287 22.616 9.149 1.00 0.00 H new ATOM 0 HD11 LEU A 32 22.176 22.125 6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 32 21.276 23.331 7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.272 23.850 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 32 24.599 21.944 7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 32 24.807 23.657 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.512 23.032 8.252 1.00 0.00 H new ATOM 450 N THR A 33 24.650 27.404 9.324 1.00 0.00 N ATOM 451 CA THR A 33 24.500 28.813 9.626 1.00 0.00 C ATOM 452 C THR A 33 23.077 29.250 9.319 1.00 0.00 C ATOM 453 O THR A 33 22.330 28.522 8.658 1.00 0.00 O ATOM 454 CB THR A 33 25.481 29.682 8.809 1.00 0.00 C ATOM 455 OG1 THR A 33 25.028 29.815 7.454 1.00 0.00 O ATOM 456 CG2 THR A 33 26.866 29.066 8.802 1.00 0.00 C ATOM 0 H THR A 33 24.870 27.205 8.348 1.00 0.00 H new ATOM 0 HA THR A 33 24.722 28.951 10.684 1.00 0.00 H new ATOM 0 HB THR A 33 25.523 30.664 9.280 1.00 0.00 H new ATOM 0 HG1 THR A 33 25.660 30.370 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 33 27.541 29.694 8.221 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.234 28.987 9.825 1.00 0.00 H new ATOM 0 HG23 THR A 33 26.820 28.073 8.355 1.00 0.00 H new ATOM 464 N ALA A 34 22.704 30.437 9.780 1.00 0.00 N ATOM 465 CA ALA A 34 21.375 30.966 9.514 1.00 0.00 C ATOM 466 C ALA A 34 21.193 31.201 8.020 1.00 0.00 C ATOM 467 O ALA A 34 20.099 31.043 7.483 1.00 0.00 O ATOM 468 CB ALA A 34 21.141 32.251 10.295 1.00 0.00 C ATOM 0 H ALA A 34 23.301 31.048 10.337 1.00 0.00 H new ATOM 0 HA ALA A 34 20.637 30.234 9.842 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.141 32.630 10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.233 32.050 11.362 1.00 0.00 H new ATOM 0 HB3 ALA A 34 21.881 32.995 10.001 1.00 0.00 H new ATOM 474 N ASP A 35 22.288 31.535 7.349 1.00 0.00 N ATOM 475 CA ASP A 35 22.253 31.781 5.914 1.00 0.00 C ATOM 476 C ASP A 35 22.120 30.471 5.161 1.00 0.00 C ATOM 477 O ASP A 35 21.377 30.377 4.193 1.00 0.00 O ATOM 478 CB ASP A 35 23.504 32.526 5.452 1.00 0.00 C ATOM 479 CG ASP A 35 23.497 33.982 5.859 1.00 0.00 C ATOM 480 OD1 ASP A 35 22.975 34.815 5.090 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.018 34.304 6.947 1.00 0.00 O ATOM 0 H ASP A 35 23.209 31.641 7.775 1.00 0.00 H new ATOM 0 HA ASP A 35 21.386 32.406 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 35 24.386 32.040 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 35 23.584 32.456 4.367 1.00 0.00 H new ATOM 486 N GLN A 36 22.832 29.453 5.631 1.00 0.00 N ATOM 487 CA GLN A 36 22.729 28.123 5.050 1.00 0.00 C ATOM 488 C GLN A 36 21.306 27.588 5.189 1.00 0.00 C ATOM 489 O GLN A 36 20.785 26.940 4.283 1.00 0.00 O ATOM 490 CB GLN A 36 23.731 27.173 5.710 1.00 0.00 C ATOM 491 CG GLN A 36 25.164 27.378 5.243 1.00 0.00 C ATOM 492 CD GLN A 36 26.141 26.480 5.972 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.935 26.146 7.133 1.00 0.00 O ATOM 494 NE2 GLN A 36 27.200 26.073 5.295 1.00 0.00 N ATOM 0 H GLN A 36 23.485 29.525 6.411 1.00 0.00 H new ATOM 0 HA GLN A 36 22.967 28.189 3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 36 23.688 27.306 6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.434 26.145 5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.226 27.184 4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.448 28.419 5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 36 27.335 26.374 4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.883 25.458 5.738 1.00 0.00 H new ATOM 503 N MET A 37 20.674 27.877 6.322 1.00 0.00 N ATOM 504 CA MET A 37 19.281 27.497 6.540 1.00 0.00 C ATOM 505 C MET A 37 18.371 28.274 5.592 1.00 0.00 C ATOM 506 O MET A 37 17.385 27.742 5.081 1.00 0.00 O ATOM 507 CB MET A 37 18.866 27.770 7.990 1.00 0.00 C ATOM 508 CG MET A 37 19.698 27.041 9.016 1.00 0.00 C ATOM 509 SD MET A 37 19.203 27.458 10.694 1.00 0.00 S ATOM 510 CE MET A 37 20.710 27.065 11.561 1.00 0.00 C ATOM 0 H MET A 37 21.103 28.373 7.103 1.00 0.00 H new ATOM 0 HA MET A 37 19.183 26.430 6.342 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.931 28.841 8.180 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.821 27.487 8.117 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.602 25.966 8.865 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.750 27.290 8.875 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.581 27.266 12.625 1.00 0.00 H new ATOM 0 HE2 MET A 37 20.948 26.011 11.417 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.524 27.678 11.172 1.00 0.00 H new ATOM 520 N ASP A 38 18.724 29.533 5.361 1.00 0.00 N ATOM 521 CA ASP A 38 17.980 30.400 4.453 1.00 0.00 C ATOM 522 C ASP A 38 18.044 29.854 3.030 1.00 0.00 C ATOM 523 O ASP A 38 17.024 29.752 2.343 1.00 0.00 O ATOM 524 CB ASP A 38 18.561 31.815 4.500 1.00 0.00 C ATOM 525 CG ASP A 38 17.720 32.836 3.760 1.00 0.00 C ATOM 526 OD1 ASP A 38 17.677 32.799 2.512 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.114 33.701 4.426 1.00 0.00 O ATOM 0 H ASP A 38 19.531 29.981 5.796 1.00 0.00 H new ATOM 0 HA ASP A 38 16.937 30.431 4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.662 32.124 5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.564 31.803 4.072 1.00 0.00 H new ATOM 532 N ASP A 39 19.247 29.482 2.602 1.00 0.00 N ATOM 533 CA ASP A 39 19.449 28.908 1.274 1.00 0.00 C ATOM 534 C ASP A 39 18.652 27.616 1.126 1.00 0.00 C ATOM 535 O ASP A 39 18.073 27.346 0.072 1.00 0.00 O ATOM 536 CB ASP A 39 20.931 28.637 1.012 1.00 0.00 C ATOM 537 CG ASP A 39 21.777 29.897 1.026 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.324 30.935 0.497 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.905 29.854 1.561 1.00 0.00 O ATOM 0 H ASP A 39 20.099 29.568 3.156 1.00 0.00 H new ATOM 0 HA ASP A 39 19.096 29.632 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.307 27.946 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.039 28.144 0.046 1.00 0.00 H new ATOM 544 N MET A 40 18.614 26.829 2.198 1.00 0.00 N ATOM 545 CA MET A 40 17.807 25.611 2.238 1.00 0.00 C ATOM 546 C MET A 40 16.334 25.938 2.009 1.00 0.00 C ATOM 547 O MET A 40 15.610 25.186 1.361 1.00 0.00 O ATOM 548 CB MET A 40 17.973 24.901 3.586 1.00 0.00 C ATOM 549 CG MET A 40 19.336 24.263 3.784 1.00 0.00 C ATOM 550 SD MET A 40 19.529 22.722 2.864 1.00 0.00 S ATOM 551 CE MET A 40 18.375 21.661 3.734 1.00 0.00 C ATOM 0 H MET A 40 19.135 27.014 3.055 1.00 0.00 H new ATOM 0 HA MET A 40 18.152 24.950 1.443 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.800 25.619 4.387 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.206 24.131 3.677 1.00 0.00 H new ATOM 0 HG2 MET A 40 20.109 24.965 3.473 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.490 24.069 4.845 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.749 20.637 3.732 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.268 22.006 4.762 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.405 21.694 3.237 1.00 0.00 H new ATOM 561 N GLY A 41 15.905 27.079 2.530 1.00 0.00 N ATOM 562 CA GLY A 41 14.522 27.488 2.392 1.00 0.00 C ATOM 563 C GLY A 41 14.171 27.903 0.976 1.00 0.00 C ATOM 564 O GLY A 41 13.093 27.575 0.479 1.00 0.00 O ATOM 0 H GLY A 41 16.493 27.731 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.873 26.667 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.324 28.319 3.069 1.00 0.00 H new ATOM 568 N MET A 42 15.080 28.613 0.317 1.00 0.00 N ATOM 569 CA MET A 42 14.811 29.124 -1.023 1.00 0.00 C ATOM 570 C MET A 42 14.898 28.021 -2.075 1.00 0.00 C ATOM 571 O MET A 42 14.202 28.076 -3.089 1.00 0.00 O ATOM 572 CB MET A 42 15.768 30.265 -1.388 1.00 0.00 C ATOM 573 CG MET A 42 17.194 29.812 -1.653 1.00 0.00 C ATOM 574 SD MET A 42 18.279 31.158 -2.169 1.00 0.00 S ATOM 575 CE MET A 42 18.281 32.173 -0.696 1.00 0.00 C ATOM 0 H MET A 42 16.002 28.847 0.684 1.00 0.00 H new ATOM 0 HA MET A 42 13.792 29.511 -1.013 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.389 30.775 -2.274 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.774 30.994 -0.578 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.597 29.354 -0.750 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.187 29.042 -2.425 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.298 32.500 -0.481 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.645 33.044 -0.854 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.901 31.594 0.145 1.00 0.00 H new ATOM 585 N MET A 43 15.737 27.012 -1.841 1.00 0.00 N ATOM 586 CA MET A 43 15.925 25.963 -2.828 1.00 0.00 C ATOM 587 C MET A 43 14.722 25.033 -2.840 1.00 0.00 C ATOM 588 O MET A 43 14.418 24.405 -3.854 1.00 0.00 O ATOM 589 CB MET A 43 17.223 25.190 -2.567 1.00 0.00 C ATOM 590 CG MET A 43 17.253 24.407 -1.266 1.00 0.00 C ATOM 591 SD MET A 43 16.404 22.820 -1.375 1.00 0.00 S ATOM 592 CE MET A 43 16.422 22.335 0.343 1.00 0.00 C ATOM 0 H MET A 43 16.287 26.904 -0.989 1.00 0.00 H new ATOM 0 HA MET A 43 16.011 26.423 -3.812 1.00 0.00 H new ATOM 0 HB2 MET A 43 17.389 24.499 -3.393 1.00 0.00 H new ATOM 0 HB3 MET A 43 18.055 25.895 -2.569 1.00 0.00 H new ATOM 0 HG2 MET A 43 18.290 24.238 -0.974 1.00 0.00 H new ATOM 0 HG3 MET A 43 16.794 25.005 -0.479 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.485 21.249 0.414 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.284 22.782 0.838 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.508 22.678 0.827 1.00 0.00 H new ATOM 602 N ALA A 44 14.027 24.976 -1.711 1.00 0.00 N ATOM 603 CA ALA A 44 12.805 24.191 -1.601 1.00 0.00 C ATOM 604 C ALA A 44 11.754 24.694 -2.585 1.00 0.00 C ATOM 605 O ALA A 44 10.942 23.918 -3.094 1.00 0.00 O ATOM 606 CB ALA A 44 12.271 24.241 -0.177 1.00 0.00 C ATOM 0 H ALA A 44 14.290 25.466 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 44 13.036 23.155 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.358 23.650 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.017 23.835 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.055 25.274 0.095 1.00 0.00 H new ATOM 612 N ASP A 45 11.797 25.995 -2.867 1.00 0.00 N ATOM 613 CA ASP A 45 10.877 26.617 -3.819 1.00 0.00 C ATOM 614 C ASP A 45 11.202 26.172 -5.243 1.00 0.00 C ATOM 615 O ASP A 45 10.338 26.150 -6.118 1.00 0.00 O ATOM 616 CB ASP A 45 10.954 28.144 -3.709 1.00 0.00 C ATOM 617 CG ASP A 45 9.928 28.846 -4.579 1.00 0.00 C ATOM 618 OD1 ASP A 45 10.236 29.151 -5.748 1.00 0.00 O ATOM 619 OD2 ASP A 45 8.805 29.105 -4.094 1.00 0.00 O ATOM 0 H ASP A 45 12.464 26.643 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 45 9.862 26.299 -3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.805 28.437 -2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.953 28.475 -3.993 1.00 0.00 H new ATOM 624 N SER A 46 12.453 25.804 -5.468 1.00 0.00 N ATOM 625 CA SER A 46 12.863 25.272 -6.755 1.00 0.00 C ATOM 626 C SER A 46 12.430 23.813 -6.867 1.00 0.00 C ATOM 627 O SER A 46 12.073 23.334 -7.947 1.00 0.00 O ATOM 628 CB SER A 46 14.381 25.397 -6.922 1.00 0.00 C ATOM 629 OG SER A 46 14.798 24.972 -8.209 1.00 0.00 O ATOM 0 H SER A 46 13.200 25.864 -4.776 1.00 0.00 H new ATOM 0 HA SER A 46 12.384 25.845 -7.549 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.682 26.433 -6.764 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.882 24.800 -6.160 1.00 0.00 H new ATOM 0 HG SER A 46 15.771 25.065 -8.285 1.00 0.00 H new ATOM 635 N VAL A 47 12.450 23.115 -5.734 1.00 0.00 N ATOM 636 CA VAL A 47 12.052 21.712 -5.687 1.00 0.00 C ATOM 637 C VAL A 47 10.580 21.550 -6.039 1.00 0.00 C ATOM 638 O VAL A 47 10.238 20.840 -6.982 1.00 0.00 O ATOM 639 CB VAL A 47 12.308 21.085 -4.295 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.931 19.607 -4.290 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.761 21.268 -3.886 1.00 0.00 C ATOM 0 H VAL A 47 12.738 23.500 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 47 12.664 21.191 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 47 11.679 21.599 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.119 19.187 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.874 19.500 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.530 19.076 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.922 20.821 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.408 20.783 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.996 22.332 -3.843 1.00 0.00 H new ATOM 651 N ASN A 48 9.711 22.227 -5.295 1.00 0.00 N ATOM 652 CA ASN A 48 8.275 22.089 -5.494 1.00 0.00 C ATOM 653 C ASN A 48 7.830 22.666 -6.831 1.00 0.00 C ATOM 654 O ASN A 48 6.839 22.218 -7.401 1.00 0.00 O ATOM 655 CB ASN A 48 7.490 22.722 -4.336 1.00 0.00 C ATOM 656 CG ASN A 48 7.950 24.116 -3.959 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.355 24.901 -4.805 1.00 0.00 O ATOM 658 ND2 ASN A 48 7.904 24.423 -2.671 1.00 0.00 N ATOM 0 H ASN A 48 9.976 22.874 -4.552 1.00 0.00 H new ATOM 0 HA ASN A 48 8.055 21.022 -5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.435 22.761 -4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.571 22.076 -3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.213 25.342 -2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.559 23.740 -1.996 1.00 0.00 H new ATOM 665 N SER A 49 8.564 23.644 -7.335 1.00 0.00 N ATOM 666 CA SER A 49 8.271 24.207 -8.643 1.00 0.00 C ATOM 667 C SER A 49 8.426 23.134 -9.721 1.00 0.00 C ATOM 668 O SER A 49 7.489 22.852 -10.468 1.00 0.00 O ATOM 669 CB SER A 49 9.197 25.395 -8.933 1.00 0.00 C ATOM 670 OG SER A 49 8.872 26.013 -10.167 1.00 0.00 O ATOM 0 H SER A 49 9.364 24.063 -6.861 1.00 0.00 H new ATOM 0 HA SER A 49 7.241 24.564 -8.649 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.119 26.125 -8.127 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.232 25.055 -8.956 1.00 0.00 H new ATOM 0 HG SER A 49 9.477 26.767 -10.324 1.00 0.00 H new ATOM 676 N GLN A 50 9.600 22.513 -9.764 1.00 0.00 N ATOM 677 CA GLN A 50 9.903 21.501 -10.770 1.00 0.00 C ATOM 678 C GLN A 50 9.124 20.212 -10.513 1.00 0.00 C ATOM 679 O GLN A 50 8.794 19.478 -11.445 1.00 0.00 O ATOM 680 CB GLN A 50 11.406 21.215 -10.788 1.00 0.00 C ATOM 681 CG GLN A 50 12.245 22.417 -11.188 1.00 0.00 C ATOM 682 CD GLN A 50 13.735 22.176 -11.027 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.400 21.694 -11.945 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.269 22.528 -9.869 1.00 0.00 N ATOM 0 H GLN A 50 10.361 22.694 -9.110 1.00 0.00 H new ATOM 0 HA GLN A 50 9.599 21.888 -11.742 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.716 20.878 -9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.604 20.397 -11.480 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.033 22.672 -12.226 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.953 23.275 -10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.681 22.924 -9.136 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.269 22.404 -9.710 1.00 0.00 H new ATOM 693 N MET A 51 8.826 19.948 -9.249 1.00 0.00 N ATOM 694 CA MET A 51 8.072 18.761 -8.873 1.00 0.00 C ATOM 695 C MET A 51 6.626 18.852 -9.368 1.00 0.00 C ATOM 696 O MET A 51 6.024 17.848 -9.743 1.00 0.00 O ATOM 697 CB MET A 51 8.127 18.562 -7.354 1.00 0.00 C ATOM 698 CG MET A 51 7.303 17.388 -6.850 1.00 0.00 C ATOM 699 SD MET A 51 5.688 17.895 -6.233 1.00 0.00 S ATOM 700 CE MET A 51 6.151 18.836 -4.778 1.00 0.00 C ATOM 0 H MET A 51 9.096 20.542 -8.465 1.00 0.00 H new ATOM 0 HA MET A 51 8.527 17.893 -9.350 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.165 18.418 -7.055 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.778 19.472 -6.867 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.170 16.668 -7.657 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.849 16.879 -6.055 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.395 18.705 -4.004 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.114 18.483 -4.408 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.226 19.892 -5.037 1.00 0.00 H new ATOM 710 N GLN A 52 6.079 20.062 -9.398 1.00 0.00 N ATOM 711 CA GLN A 52 4.732 20.268 -9.919 1.00 0.00 C ATOM 712 C GLN A 52 4.732 20.199 -11.444 1.00 0.00 C ATOM 713 O GLN A 52 3.703 19.939 -12.066 1.00 0.00 O ATOM 714 CB GLN A 52 4.163 21.605 -9.440 1.00 0.00 C ATOM 715 CG GLN A 52 3.884 21.637 -7.945 1.00 0.00 C ATOM 716 CD GLN A 52 3.409 22.994 -7.467 1.00 0.00 C ATOM 717 OE1 GLN A 52 2.211 23.272 -7.438 1.00 0.00 O ATOM 718 NE2 GLN A 52 4.347 23.845 -7.086 1.00 0.00 N ATOM 0 H GLN A 52 6.543 20.909 -9.071 1.00 0.00 H new ATOM 0 HA GLN A 52 4.093 19.471 -9.538 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.865 22.401 -9.689 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.239 21.814 -9.980 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.130 20.887 -7.704 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.790 21.363 -7.405 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.329 23.573 -7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.088 24.773 -6.752 1.00 0.00 H new ATOM 727 N LYS A 53 5.899 20.420 -12.043 1.00 0.00 N ATOM 728 CA LYS A 53 6.056 20.293 -13.488 1.00 0.00 C ATOM 729 C LYS A 53 6.216 18.820 -13.858 1.00 0.00 C ATOM 730 O LYS A 53 6.091 18.433 -15.022 1.00 0.00 O ATOM 731 CB LYS A 53 7.272 21.092 -13.977 1.00 0.00 C ATOM 732 CG LYS A 53 7.277 22.547 -13.525 1.00 0.00 C ATOM 733 CD LYS A 53 6.042 23.292 -14.003 1.00 0.00 C ATOM 734 CE LYS A 53 5.963 24.690 -13.405 1.00 0.00 C ATOM 735 NZ LYS A 53 4.737 25.413 -13.843 1.00 0.00 N ATOM 0 H LYS A 53 6.750 20.688 -11.549 1.00 0.00 H new ATOM 0 HA LYS A 53 5.166 20.695 -13.972 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.181 20.608 -13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.301 21.060 -15.066 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.328 22.589 -12.437 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.170 23.043 -13.906 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.057 23.361 -15.091 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.149 22.729 -13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.974 24.621 -12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.845 25.260 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.721 26.360 -13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.738 25.502 -14.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.895 24.882 -13.542 1.00 0.00 H new ATOM 749 N MET A 54 6.503 18.009 -12.849 1.00 0.00 N ATOM 750 CA MET A 54 6.638 16.572 -13.022 1.00 0.00 C ATOM 751 C MET A 54 5.276 15.945 -13.294 1.00 0.00 C ATOM 752 O MET A 54 5.076 15.277 -14.309 1.00 0.00 O ATOM 753 CB MET A 54 7.253 15.952 -11.765 1.00 0.00 C ATOM 754 CG MET A 54 7.413 14.445 -11.838 1.00 0.00 C ATOM 755 SD MET A 54 7.769 13.694 -10.236 1.00 0.00 S ATOM 756 CE MET A 54 9.232 14.589 -9.739 1.00 0.00 C ATOM 0 H MET A 54 6.648 18.329 -11.891 1.00 0.00 H new ATOM 0 HA MET A 54 7.291 16.380 -13.873 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.230 16.403 -11.590 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.629 16.200 -10.907 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.500 14.008 -12.243 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.218 14.204 -12.533 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.854 13.950 -9.113 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.794 14.888 -10.624 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.942 15.476 -9.176 1.00 0.00 H new ATOM 766 N GLY A 55 4.346 16.178 -12.378 1.00 0.00 N ATOM 767 CA GLY A 55 3.009 15.640 -12.518 1.00 0.00 C ATOM 768 C GLY A 55 2.816 14.367 -11.717 1.00 0.00 C ATOM 769 O GLY A 55 3.739 13.561 -11.611 1.00 0.00 O ATOM 0 H GLY A 55 4.496 16.734 -11.536 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.284 16.385 -12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.809 15.439 -13.570 1.00 0.00 H new ATOM 773 N PRO A 56 1.621 14.161 -11.139 1.00 0.00 N ATOM 774 CA PRO A 56 1.317 12.962 -10.348 1.00 0.00 C ATOM 775 C PRO A 56 1.439 11.684 -11.172 1.00 0.00 C ATOM 776 O PRO A 56 1.063 11.657 -12.349 1.00 0.00 O ATOM 777 CB PRO A 56 -0.134 13.175 -9.900 1.00 0.00 C ATOM 778 CG PRO A 56 -0.685 14.201 -10.831 1.00 0.00 C ATOM 779 CD PRO A 56 0.473 15.079 -11.208 1.00 0.00 C ATOM 0 HA PRO A 56 2.012 12.838 -9.518 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.703 12.247 -9.955 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.181 13.516 -8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.124 13.733 -11.712 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.474 14.780 -10.351 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.352 15.500 -12.206 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.585 15.917 -10.520 1.00 0.00 H new ATOM 787 N ASN A 57 1.964 10.632 -10.543 1.00 0.00 N ATOM 788 CA ASN A 57 2.202 9.347 -11.211 1.00 0.00 C ATOM 789 C ASN A 57 3.071 9.540 -12.452 1.00 0.00 C ATOM 790 O ASN A 57 2.612 9.370 -13.582 1.00 0.00 O ATOM 791 CB ASN A 57 0.883 8.661 -11.589 1.00 0.00 C ATOM 792 CG ASN A 57 0.101 8.185 -10.380 1.00 0.00 C ATOM 793 OD1 ASN A 57 0.300 7.070 -9.897 1.00 0.00 O ATOM 794 ND2 ASN A 57 -0.808 9.017 -9.895 1.00 0.00 N ATOM 0 H ASN A 57 2.236 10.644 -9.560 1.00 0.00 H new ATOM 0 HA ASN A 57 2.729 8.702 -10.508 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.269 9.355 -12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.094 7.811 -12.238 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.374 8.742 -9.092 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.942 9.933 -10.324 1.00 0.00 H new ATOM 801 N PRO A 58 4.335 9.921 -12.250 1.00 0.00 N ATOM 802 CA PRO A 58 5.245 10.269 -13.331 1.00 0.00 C ATOM 803 C PRO A 58 6.157 9.116 -13.761 1.00 0.00 C ATOM 804 O PRO A 58 6.170 8.050 -13.140 1.00 0.00 O ATOM 805 CB PRO A 58 6.065 11.369 -12.674 1.00 0.00 C ATOM 806 CG PRO A 58 6.197 10.933 -11.248 1.00 0.00 C ATOM 807 CD PRO A 58 4.992 10.075 -10.940 1.00 0.00 C ATOM 0 HA PRO A 58 4.723 10.545 -14.247 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.040 11.475 -13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.567 12.335 -12.750 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.119 10.372 -11.099 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.238 11.795 -10.582 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.282 9.112 -10.521 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.334 10.553 -10.215 1.00 0.00 H new ATOM 815 N PRO A 59 6.921 9.315 -14.851 1.00 0.00 N ATOM 816 CA PRO A 59 7.947 8.370 -15.282 1.00 0.00 C ATOM 817 C PRO A 59 9.200 8.481 -14.417 1.00 0.00 C ATOM 818 O PRO A 59 9.521 9.563 -13.913 1.00 0.00 O ATOM 819 CB PRO A 59 8.262 8.786 -16.726 1.00 0.00 C ATOM 820 CG PRO A 59 7.298 9.877 -17.067 1.00 0.00 C ATOM 821 CD PRO A 59 6.830 10.458 -15.766 1.00 0.00 C ATOM 0 HA PRO A 59 7.610 7.337 -15.200 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.291 9.134 -16.815 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.151 7.942 -17.407 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.777 10.639 -17.682 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.458 9.486 -17.641 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.460 11.287 -15.443 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.812 10.840 -15.836 1.00 0.00 H new ATOM 829 N GLN A 60 9.926 7.380 -14.272 1.00 0.00 N ATOM 830 CA GLN A 60 11.054 7.329 -13.350 1.00 0.00 C ATOM 831 C GLN A 60 12.198 8.245 -13.784 1.00 0.00 C ATOM 832 O GLN A 60 13.027 8.629 -12.960 1.00 0.00 O ATOM 833 CB GLN A 60 11.556 5.893 -13.178 1.00 0.00 C ATOM 834 CG GLN A 60 12.075 5.248 -14.453 1.00 0.00 C ATOM 835 CD GLN A 60 12.584 3.840 -14.213 1.00 0.00 C ATOM 836 OE1 GLN A 60 12.092 3.131 -13.335 1.00 0.00 O ATOM 837 NE2 GLN A 60 13.577 3.429 -14.985 1.00 0.00 N ATOM 0 H GLN A 60 9.755 6.512 -14.780 1.00 0.00 H new ATOM 0 HA GLN A 60 10.692 7.692 -12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.352 5.887 -12.433 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.744 5.283 -12.782 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.278 5.223 -15.197 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.878 5.858 -14.866 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.956 4.048 -15.701 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.963 2.493 -14.864 1.00 0.00 H new ATOM 846 N HIS A 61 12.239 8.620 -15.063 1.00 0.00 N ATOM 847 CA HIS A 61 13.300 9.505 -15.546 1.00 0.00 C ATOM 848 C HIS A 61 13.195 10.883 -14.895 1.00 0.00 C ATOM 849 O HIS A 61 14.183 11.606 -14.799 1.00 0.00 O ATOM 850 CB HIS A 61 13.316 9.619 -17.084 1.00 0.00 C ATOM 851 CG HIS A 61 12.137 10.318 -17.708 1.00 0.00 C ATOM 852 ND1 HIS A 61 11.248 9.680 -18.548 1.00 0.00 N ATOM 853 CD2 HIS A 61 11.728 11.609 -17.650 1.00 0.00 C ATOM 854 CE1 HIS A 61 10.349 10.548 -18.975 1.00 0.00 C ATOM 855 NE2 HIS A 61 10.618 11.721 -18.444 1.00 0.00 N ATOM 0 H HIS A 61 11.564 8.332 -15.771 1.00 0.00 H new ATOM 0 HA HIS A 61 14.249 9.055 -15.254 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.223 10.146 -17.380 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.380 8.614 -17.502 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.192 12.402 -17.083 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.531 10.331 -19.647 1.00 0.00 H new ATOM 0 HE2 HIS A 61 10.085 12.577 -18.599 1.00 0.00 H new ATOM 863 N ARG A 62 11.997 11.239 -14.440 1.00 0.00 N ATOM 864 CA ARG A 62 11.811 12.487 -13.712 1.00 0.00 C ATOM 865 C ARG A 62 12.394 12.371 -12.313 1.00 0.00 C ATOM 866 O ARG A 62 13.037 13.293 -11.819 1.00 0.00 O ATOM 867 CB ARG A 62 10.332 12.864 -13.635 1.00 0.00 C ATOM 868 CG ARG A 62 9.835 13.642 -14.842 1.00 0.00 C ATOM 869 CD ARG A 62 10.462 15.028 -14.901 1.00 0.00 C ATOM 870 NE ARG A 62 10.009 15.795 -16.060 1.00 0.00 N ATOM 871 CZ ARG A 62 10.583 16.925 -16.476 1.00 0.00 C ATOM 872 NH1 ARG A 62 11.633 17.419 -15.831 1.00 0.00 N ATOM 873 NH2 ARG A 62 10.106 17.560 -17.539 1.00 0.00 N ATOM 0 H ARG A 62 11.149 10.686 -14.562 1.00 0.00 H new ATOM 0 HA ARG A 62 12.335 13.275 -14.253 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.740 11.955 -13.531 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.164 13.458 -12.737 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.072 13.094 -15.754 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.750 13.733 -14.798 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.218 15.574 -13.990 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.547 14.932 -14.934 1.00 0.00 H new ATOM 0 HE ARG A 62 9.206 15.445 -16.582 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.004 16.934 -15.014 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.069 18.283 -16.153 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.300 17.184 -18.038 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.545 18.424 -17.857 1.00 0.00 H new ATOM 887 N LEU A 63 12.180 11.222 -11.688 1.00 0.00 N ATOM 888 CA LEU A 63 12.720 10.958 -10.360 1.00 0.00 C ATOM 889 C LEU A 63 14.244 10.968 -10.403 1.00 0.00 C ATOM 890 O LEU A 63 14.899 11.543 -9.534 1.00 0.00 O ATOM 891 CB LEU A 63 12.221 9.608 -9.821 1.00 0.00 C ATOM 892 CG LEU A 63 10.773 9.578 -9.308 1.00 0.00 C ATOM 893 CD1 LEU A 63 9.778 9.851 -10.424 1.00 0.00 C ATOM 894 CD2 LEU A 63 10.477 8.238 -8.653 1.00 0.00 C ATOM 0 H LEU A 63 11.634 10.455 -12.080 1.00 0.00 H new ATOM 0 HA LEU A 63 12.373 11.745 -9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.320 8.865 -10.612 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.879 9.298 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 63 10.665 10.370 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.765 9.822 -10.023 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.971 10.835 -10.851 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.884 9.092 -11.199 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.448 8.228 -8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.614 7.439 -9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.156 8.085 -7.814 1.00 0.00 H new ATOM 906 N ARG A 64 14.796 10.364 -11.452 1.00 0.00 N ATOM 907 CA ARG A 64 16.245 10.280 -11.624 1.00 0.00 C ATOM 908 C ARG A 64 16.836 11.620 -12.054 1.00 0.00 C ATOM 909 O ARG A 64 18.042 11.736 -12.258 1.00 0.00 O ATOM 910 CB ARG A 64 16.609 9.200 -12.647 1.00 0.00 C ATOM 911 CG ARG A 64 16.720 7.794 -12.067 1.00 0.00 C ATOM 912 CD ARG A 64 15.419 7.335 -11.430 1.00 0.00 C ATOM 913 NE ARG A 64 15.466 5.937 -11.010 1.00 0.00 N ATOM 914 CZ ARG A 64 14.516 5.347 -10.288 1.00 0.00 C ATOM 915 NH1 ARG A 64 13.472 6.050 -9.861 1.00 0.00 N ATOM 916 NH2 ARG A 64 14.613 4.056 -9.989 1.00 0.00 N ATOM 0 H ARG A 64 14.260 9.923 -12.199 1.00 0.00 H new ATOM 0 HA ARG A 64 16.671 10.012 -10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.857 9.196 -13.436 1.00 0.00 H new ATOM 0 HB3 ARG A 64 17.558 9.464 -13.113 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.002 7.098 -12.857 1.00 0.00 H new ATOM 0 HG3 ARG A 64 17.516 7.771 -11.322 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.199 7.963 -10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 64 14.603 7.471 -12.140 1.00 0.00 H new ATOM 0 HE ARG A 64 16.275 5.380 -11.286 1.00 0.00 H new ATOM 0 HH11 ARG A 64 13.399 7.042 -10.087 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.744 5.597 -9.308 1.00 0.00 H new ATOM 0 HH21 ARG A 64 15.416 3.516 -10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.885 3.605 -9.436 1.00 0.00 H new ATOM 930 N ALA A 65 15.986 12.626 -12.198 1.00 0.00 N ATOM 931 CA ALA A 65 16.443 13.966 -12.521 1.00 0.00 C ATOM 932 C ALA A 65 16.223 14.909 -11.344 1.00 0.00 C ATOM 933 O ALA A 65 16.857 15.962 -11.248 1.00 0.00 O ATOM 934 CB ALA A 65 15.727 14.485 -13.761 1.00 0.00 C ATOM 0 H ALA A 65 14.975 12.538 -12.096 1.00 0.00 H new ATOM 0 HA ALA A 65 17.512 13.924 -12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.080 15.490 -13.991 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.935 13.826 -14.604 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.653 14.511 -13.577 1.00 0.00 H new ATOM 940 N MET A 66 15.348 14.510 -10.429 1.00 0.00 N ATOM 941 CA MET A 66 14.977 15.372 -9.311 1.00 0.00 C ATOM 942 C MET A 66 15.942 15.187 -8.161 1.00 0.00 C ATOM 943 O MET A 66 16.153 16.098 -7.359 1.00 0.00 O ATOM 944 CB MET A 66 13.547 15.103 -8.844 1.00 0.00 C ATOM 945 CG MET A 66 12.489 15.565 -9.830 1.00 0.00 C ATOM 946 SD MET A 66 12.581 17.332 -10.189 1.00 0.00 S ATOM 947 CE MET A 66 12.200 18.033 -8.584 1.00 0.00 C ATOM 0 H MET A 66 14.884 13.602 -10.437 1.00 0.00 H new ATOM 0 HA MET A 66 15.028 16.404 -9.659 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.426 14.034 -8.668 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.385 15.603 -7.889 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.597 15.005 -10.759 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.502 15.332 -9.431 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.471 18.835 -8.701 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.787 17.259 -7.937 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.110 18.433 -8.136 1.00 0.00 H new ATOM 957 N ASN A 67 16.522 13.997 -8.090 1.00 0.00 N ATOM 958 CA ASN A 67 17.590 13.713 -7.143 1.00 0.00 C ATOM 959 C ASN A 67 18.689 14.769 -7.249 1.00 0.00 C ATOM 960 O ASN A 67 19.138 15.315 -6.246 1.00 0.00 O ATOM 961 CB ASN A 67 18.163 12.306 -7.394 1.00 0.00 C ATOM 962 CG ASN A 67 18.422 12.006 -8.869 1.00 0.00 C ATOM 963 OD1 ASN A 67 18.766 12.880 -9.660 1.00 0.00 O ATOM 964 ND2 ASN A 67 18.247 10.764 -9.258 1.00 0.00 N ATOM 0 H ASN A 67 16.268 13.207 -8.683 1.00 0.00 H new ATOM 0 HA ASN A 67 17.181 13.744 -6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 67 19.096 12.199 -6.841 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.470 11.564 -6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.397 10.509 -10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.961 10.054 -8.584 1.00 0.00 H new ATOM 971 N THR A 68 19.076 15.074 -8.477 1.00 0.00 N ATOM 972 CA THR A 68 20.118 16.042 -8.750 1.00 0.00 C ATOM 973 C THR A 68 19.593 17.459 -8.567 1.00 0.00 C ATOM 974 O THR A 68 20.305 18.336 -8.081 1.00 0.00 O ATOM 975 CB THR A 68 20.652 15.868 -10.185 1.00 0.00 C ATOM 976 OG1 THR A 68 20.966 14.485 -10.423 1.00 0.00 O ATOM 977 CG2 THR A 68 21.896 16.717 -10.413 1.00 0.00 C ATOM 0 H THR A 68 18.672 14.653 -9.314 1.00 0.00 H new ATOM 0 HA THR A 68 20.931 15.872 -8.045 1.00 0.00 H new ATOM 0 HB THR A 68 19.877 16.196 -10.878 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.169 13.937 -10.264 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.251 16.575 -11.434 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.653 17.768 -10.256 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.675 16.417 -9.712 1.00 0.00 H new ATOM 985 N ALA A 69 18.331 17.667 -8.932 1.00 0.00 N ATOM 986 CA ALA A 69 17.704 18.981 -8.831 1.00 0.00 C ATOM 987 C ALA A 69 17.744 19.507 -7.399 1.00 0.00 C ATOM 988 O ALA A 69 17.933 20.702 -7.177 1.00 0.00 O ATOM 989 CB ALA A 69 16.269 18.927 -9.333 1.00 0.00 C ATOM 0 H ALA A 69 17.720 16.939 -9.302 1.00 0.00 H new ATOM 0 HA ALA A 69 18.271 19.669 -9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.817 19.915 -9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.260 18.610 -10.376 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.700 18.217 -8.733 1.00 0.00 H new ATOM 995 N MET A 70 17.566 18.612 -6.433 1.00 0.00 N ATOM 996 CA MET A 70 17.645 18.995 -5.030 1.00 0.00 C ATOM 997 C MET A 70 19.088 18.915 -4.541 1.00 0.00 C ATOM 998 O MET A 70 19.565 19.810 -3.841 1.00 0.00 O ATOM 999 CB MET A 70 16.744 18.101 -4.173 1.00 0.00 C ATOM 1000 CG MET A 70 16.587 18.591 -2.739 1.00 0.00 C ATOM 1001 SD MET A 70 15.320 17.688 -1.819 1.00 0.00 S ATOM 1002 CE MET A 70 16.016 16.039 -1.782 1.00 0.00 C ATOM 0 H MET A 70 17.368 17.625 -6.595 1.00 0.00 H new ATOM 0 HA MET A 70 17.298 20.024 -4.935 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.760 18.040 -4.637 1.00 0.00 H new ATOM 0 HB3 MET A 70 17.154 17.091 -4.160 1.00 0.00 H new ATOM 0 HG2 MET A 70 17.542 18.495 -2.222 1.00 0.00 H new ATOM 0 HG3 MET A 70 16.335 19.651 -2.749 1.00 0.00 H new ATOM 0 HE1 MET A 70 15.407 15.401 -1.142 1.00 0.00 H new ATOM 0 HE2 MET A 70 16.034 15.629 -2.792 1.00 0.00 H new ATOM 0 HE3 MET A 70 17.032 16.082 -1.390 1.00 0.00 H new ATOM 1012 N ALA A 71 19.774 17.839 -4.927 1.00 0.00 N ATOM 1013 CA ALA A 71 21.178 17.631 -4.563 1.00 0.00 C ATOM 1014 C ALA A 71 22.042 18.846 -4.890 1.00 0.00 C ATOM 1015 O ALA A 71 22.828 19.297 -4.060 1.00 0.00 O ATOM 1016 CB ALA A 71 21.742 16.412 -5.274 1.00 0.00 C ATOM 0 H ALA A 71 19.377 17.092 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 71 21.202 17.474 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.785 16.275 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 71 21.170 15.528 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.676 16.557 -6.352 1.00 0.00 H new ATOM 1022 N ALA A 72 21.884 19.372 -6.102 1.00 0.00 N ATOM 1023 CA ALA A 72 22.698 20.489 -6.576 1.00 0.00 C ATOM 1024 C ALA A 72 22.481 21.744 -5.734 1.00 0.00 C ATOM 1025 O ALA A 72 23.417 22.506 -5.489 1.00 0.00 O ATOM 1026 CB ALA A 72 22.400 20.778 -8.040 1.00 0.00 C ATOM 0 H ALA A 72 21.195 19.040 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 72 23.744 20.200 -6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.014 21.613 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.626 19.895 -8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.346 21.033 -8.153 1.00 0.00 H new ATOM 1032 N GLU A 73 21.249 21.951 -5.284 1.00 0.00 N ATOM 1033 CA GLU A 73 20.921 23.121 -4.480 1.00 0.00 C ATOM 1034 C GLU A 73 21.503 22.986 -3.079 1.00 0.00 C ATOM 1035 O GLU A 73 22.083 23.928 -2.542 1.00 0.00 O ATOM 1036 CB GLU A 73 19.408 23.308 -4.393 1.00 0.00 C ATOM 1037 CG GLU A 73 18.726 23.454 -5.742 1.00 0.00 C ATOM 1038 CD GLU A 73 19.296 24.581 -6.577 1.00 0.00 C ATOM 1039 OE1 GLU A 73 19.292 25.739 -6.114 1.00 0.00 O ATOM 1040 OE2 GLU A 73 19.734 24.316 -7.717 1.00 0.00 O ATOM 0 H GLU A 73 20.463 21.326 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 73 21.357 23.995 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.976 22.455 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.195 24.192 -3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.820 22.518 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.661 23.627 -5.587 1.00 0.00 H new ATOM 1047 N VAL A 74 21.353 21.803 -2.496 1.00 0.00 N ATOM 1048 CA VAL A 74 21.890 21.532 -1.167 1.00 0.00 C ATOM 1049 C VAL A 74 23.416 21.583 -1.195 1.00 0.00 C ATOM 1050 O VAL A 74 24.056 21.988 -0.227 1.00 0.00 O ATOM 1051 CB VAL A 74 21.424 20.158 -0.634 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.977 19.893 0.760 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.906 20.075 -0.623 1.00 0.00 C ATOM 0 H VAL A 74 20.864 21.016 -2.922 1.00 0.00 H new ATOM 0 HA VAL A 74 21.511 22.302 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 74 21.812 19.391 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 74 21.633 18.920 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 74 23.066 19.902 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 74 21.628 20.668 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 74 19.598 19.100 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 74 19.503 20.858 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.527 20.207 -1.636 1.00 0.00 H new ATOM 1063 N ALA A 75 23.989 21.202 -2.332 1.00 0.00 N ATOM 1064 CA ALA A 75 25.433 21.218 -2.517 1.00 0.00 C ATOM 1065 C ALA A 75 26.010 22.614 -2.299 1.00 0.00 C ATOM 1066 O ALA A 75 27.154 22.758 -1.881 1.00 0.00 O ATOM 1067 CB ALA A 75 25.791 20.713 -3.905 1.00 0.00 C ATOM 0 H ALA A 75 23.468 20.876 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 75 25.872 20.555 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.874 20.730 -4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.428 19.692 -4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.329 21.354 -4.656 1.00 0.00 H new ATOM 1073 N GLU A 76 25.205 23.637 -2.567 1.00 0.00 N ATOM 1074 CA GLU A 76 25.642 25.019 -2.409 1.00 0.00 C ATOM 1075 C GLU A 76 26.027 25.318 -0.963 1.00 0.00 C ATOM 1076 O GLU A 76 27.100 25.861 -0.698 1.00 0.00 O ATOM 1077 CB GLU A 76 24.543 25.981 -2.866 1.00 0.00 C ATOM 1078 CG GLU A 76 24.279 25.932 -4.361 1.00 0.00 C ATOM 1079 CD GLU A 76 25.456 26.430 -5.174 1.00 0.00 C ATOM 1080 OE1 GLU A 76 26.387 25.640 -5.433 1.00 0.00 O ATOM 1081 OE2 GLU A 76 25.452 27.618 -5.559 1.00 0.00 O ATOM 0 H GLU A 76 24.245 23.534 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 76 26.525 25.161 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.621 25.746 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.822 26.997 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.048 24.908 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.401 26.535 -4.592 1.00 0.00 H new ATOM 1088 N VAL A 77 25.167 24.945 -0.023 1.00 0.00 N ATOM 1089 CA VAL A 77 25.427 25.225 1.384 1.00 0.00 C ATOM 1090 C VAL A 77 26.567 24.355 1.901 1.00 0.00 C ATOM 1091 O VAL A 77 27.348 24.779 2.757 1.00 0.00 O ATOM 1092 CB VAL A 77 24.170 25.042 2.270 1.00 0.00 C ATOM 1093 CG1 VAL A 77 23.043 25.934 1.781 1.00 0.00 C ATOM 1094 CG2 VAL A 77 23.714 23.592 2.320 1.00 0.00 C ATOM 0 H VAL A 77 24.292 24.453 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 77 25.715 26.274 1.448 1.00 0.00 H new ATOM 0 HB VAL A 77 24.442 25.334 3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 77 22.167 25.794 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.359 26.976 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 77 22.793 25.673 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 77 22.830 23.510 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 77 23.473 23.252 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 77 24.512 22.974 2.731 1.00 0.00 H new ATOM 1104 N VAL A 78 26.688 23.153 1.351 1.00 0.00 N ATOM 1105 CA VAL A 78 27.748 22.239 1.748 1.00 0.00 C ATOM 1106 C VAL A 78 29.088 22.718 1.199 1.00 0.00 C ATOM 1107 O VAL A 78 30.103 22.674 1.889 1.00 0.00 O ATOM 1108 CB VAL A 78 27.470 20.796 1.270 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.521 19.836 1.806 1.00 0.00 C ATOM 1110 CG2 VAL A 78 26.081 20.347 1.693 1.00 0.00 C ATOM 0 H VAL A 78 26.065 22.790 0.629 1.00 0.00 H new ATOM 0 HA VAL A 78 27.783 22.229 2.837 1.00 0.00 H new ATOM 0 HB VAL A 78 27.520 20.788 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 78 28.304 18.827 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.506 20.139 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.507 19.853 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.906 19.329 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 78 26.004 20.378 2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 78 25.335 21.012 1.257 1.00 0.00 H new ATOM 1120 N ALA A 79 29.077 23.213 -0.035 1.00 0.00 N ATOM 1121 CA ALA A 79 30.282 23.742 -0.668 1.00 0.00 C ATOM 1122 C ALA A 79 30.786 24.990 0.050 1.00 0.00 C ATOM 1123 O ALA A 79 31.962 25.342 -0.042 1.00 0.00 O ATOM 1124 CB ALA A 79 30.011 24.059 -2.130 1.00 0.00 C ATOM 0 H ALA A 79 28.242 23.259 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 79 31.056 22.978 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.917 24.453 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.705 23.150 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.216 24.802 -2.200 1.00 0.00 H new ATOM 1130 N THR A 80 29.892 25.652 0.770 1.00 0.00 N ATOM 1131 CA THR A 80 30.240 26.863 1.498 1.00 0.00 C ATOM 1132 C THR A 80 30.678 26.519 2.928 1.00 0.00 C ATOM 1133 O THR A 80 30.972 27.397 3.737 1.00 0.00 O ATOM 1134 CB THR A 80 29.044 27.845 1.520 1.00 0.00 C ATOM 1135 OG1 THR A 80 28.482 27.948 0.203 1.00 0.00 O ATOM 1136 CG2 THR A 80 29.466 29.236 1.982 1.00 0.00 C ATOM 0 H THR A 80 28.917 25.369 0.866 1.00 0.00 H new ATOM 0 HA THR A 80 31.073 27.346 0.987 1.00 0.00 H new ATOM 0 HB THR A 80 28.308 27.455 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.873 27.196 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.599 29.897 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.879 29.175 2.989 1.00 0.00 H new ATOM 0 HG23 THR A 80 30.222 29.631 1.303 1.00 0.00 H new ATOM 1144 N SER A 81 30.732 25.229 3.229 1.00 0.00 N ATOM 1145 CA SER A 81 31.158 24.774 4.542 1.00 0.00 C ATOM 1146 C SER A 81 32.653 24.455 4.539 1.00 0.00 C ATOM 1147 O SER A 81 33.112 23.608 3.772 1.00 0.00 O ATOM 1148 CB SER A 81 30.352 23.543 4.962 1.00 0.00 C ATOM 1149 OG SER A 81 28.964 23.835 5.005 1.00 0.00 O ATOM 0 H SER A 81 30.486 24.481 2.581 1.00 0.00 H new ATOM 0 HA SER A 81 30.978 25.573 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.534 22.728 4.262 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.686 23.202 5.942 1.00 0.00 H new ATOM 0 HG SER A 81 28.655 24.088 4.110 1.00 0.00 H new ATOM 1155 N PRO A 82 33.430 25.139 5.394 1.00 0.00 N ATOM 1156 CA PRO A 82 34.882 24.949 5.472 1.00 0.00 C ATOM 1157 C PRO A 82 35.265 23.586 6.057 1.00 0.00 C ATOM 1158 O PRO A 82 34.514 23.011 6.854 1.00 0.00 O ATOM 1159 CB PRO A 82 35.339 26.080 6.397 1.00 0.00 C ATOM 1160 CG PRO A 82 34.146 26.400 7.228 1.00 0.00 C ATOM 1161 CD PRO A 82 32.951 26.153 6.351 1.00 0.00 C ATOM 0 HA PRO A 82 35.348 24.972 4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 82 36.180 25.768 7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.668 26.949 5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.112 25.773 8.119 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.173 27.435 7.567 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.099 25.791 6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.630 27.063 5.844 1.00 0.00 H new ATOM 1169 N PRO A 83 36.437 23.046 5.663 1.00 0.00 N ATOM 1170 CA PRO A 83 36.934 21.758 6.161 1.00 0.00 C ATOM 1171 C PRO A 83 37.262 21.786 7.652 1.00 0.00 C ATOM 1172 O PRO A 83 38.399 22.054 8.053 1.00 0.00 O ATOM 1173 CB PRO A 83 38.206 21.501 5.348 1.00 0.00 C ATOM 1174 CG PRO A 83 38.140 22.449 4.198 1.00 0.00 C ATOM 1175 CD PRO A 83 37.362 23.637 4.685 1.00 0.00 C ATOM 0 HA PRO A 83 36.179 20.980 6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 83 39.098 21.675 5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 83 38.250 20.468 5.003 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.139 22.742 3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.651 21.988 3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 83 38.010 24.384 5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.829 24.132 3.873 1.00 0.00 H new ATOM 1183 N GLN A 84 36.245 21.534 8.455 1.00 0.00 N ATOM 1184 CA GLN A 84 36.362 21.454 9.892 1.00 0.00 C ATOM 1185 C GLN A 84 35.121 20.772 10.455 1.00 0.00 C ATOM 1186 O GLN A 84 35.192 19.986 11.399 1.00 0.00 O ATOM 1187 CB GLN A 84 36.505 22.847 10.493 1.00 0.00 C ATOM 1188 CG GLN A 84 36.594 22.818 11.999 1.00 0.00 C ATOM 1189 CD GLN A 84 36.840 24.179 12.622 1.00 0.00 C ATOM 1190 OE1 GLN A 84 37.542 25.047 11.910 1.00 0.00 O flip ATOM 1191 NE2 GLN A 84 36.401 24.449 13.740 1.00 0.00 N flip ATOM 0 H GLN A 84 35.296 21.376 8.115 1.00 0.00 H new ATOM 0 HA GLN A 84 37.250 20.876 10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 84 37.397 23.324 10.088 1.00 0.00 H new ATOM 0 HB3 GLN A 84 35.653 23.458 10.194 1.00 0.00 H new ATOM 0 HG2 GLN A 84 35.668 22.406 12.401 1.00 0.00 H new ATOM 0 HG3 GLN A 84 37.397 22.143 12.294 1.00 0.00 H new ATOM 0 HE21 GLN A 84 35.864 23.754 14.259 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.574 25.368 14.148 1.00 0.00 H new ATOM 1200 N SER A 85 33.983 21.089 9.854 1.00 0.00 N ATOM 1201 CA SER A 85 32.717 20.486 10.228 1.00 0.00 C ATOM 1202 C SER A 85 31.972 20.071 8.965 1.00 0.00 C ATOM 1203 O SER A 85 30.749 19.934 8.960 1.00 0.00 O ATOM 1204 CB SER A 85 31.887 21.485 11.048 1.00 0.00 C ATOM 1205 OG SER A 85 30.687 20.900 11.524 1.00 0.00 O ATOM 0 H SER A 85 33.914 21.769 9.097 1.00 0.00 H new ATOM 0 HA SER A 85 32.892 19.603 10.843 1.00 0.00 H new ATOM 0 HB2 SER A 85 32.477 21.843 11.891 1.00 0.00 H new ATOM 0 HB3 SER A 85 31.650 22.353 10.433 1.00 0.00 H new ATOM 0 HG SER A 85 30.263 21.503 12.170 1.00 0.00 H new ATOM 1211 N TYR A 86 32.733 19.831 7.905 1.00 0.00 N ATOM 1212 CA TYR A 86 32.166 19.550 6.593 1.00 0.00 C ATOM 1213 C TYR A 86 31.456 18.198 6.601 1.00 0.00 C ATOM 1214 O TYR A 86 30.304 18.084 6.173 1.00 0.00 O ATOM 1215 CB TYR A 86 33.279 19.575 5.536 1.00 0.00 C ATOM 1216 CG TYR A 86 32.808 19.313 4.122 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.596 18.019 3.667 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.584 20.362 3.240 1.00 0.00 C ATOM 1219 CE1 TYR A 86 32.171 17.776 2.380 1.00 0.00 C ATOM 1220 CE2 TYR A 86 32.157 20.128 1.948 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.951 18.833 1.522 1.00 0.00 C ATOM 1222 OH TYR A 86 31.522 18.595 0.236 1.00 0.00 O ATOM 0 H TYR A 86 33.753 19.826 7.930 1.00 0.00 H new ATOM 0 HA TYR A 86 31.431 20.316 6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.771 20.547 5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 86 34.030 18.830 5.799 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.768 17.188 4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.746 21.377 3.570 1.00 0.00 H new ATOM 0 HE1 TYR A 86 32.011 16.762 2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.985 20.955 1.275 1.00 0.00 H new ATOM 0 HH TYR A 86 31.415 19.447 -0.236 1.00 0.00 H new ATOM 1232 N SER A 87 32.142 17.180 7.104 1.00 0.00 N ATOM 1233 CA SER A 87 31.569 15.845 7.195 1.00 0.00 C ATOM 1234 C SER A 87 30.348 15.841 8.113 1.00 0.00 C ATOM 1235 O SER A 87 29.421 15.052 7.927 1.00 0.00 O ATOM 1236 CB SER A 87 32.621 14.848 7.689 1.00 0.00 C ATOM 1237 OG SER A 87 33.706 14.763 6.778 1.00 0.00 O ATOM 0 H SER A 87 33.097 17.254 7.455 1.00 0.00 H new ATOM 0 HA SER A 87 31.244 15.541 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 87 32.987 15.155 8.669 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.167 13.865 7.812 1.00 0.00 H new ATOM 0 HG SER A 87 34.366 14.122 7.115 1.00 0.00 H new ATOM 1243 N ALA A 88 30.338 16.740 9.089 1.00 0.00 N ATOM 1244 CA ALA A 88 29.197 16.876 9.982 1.00 0.00 C ATOM 1245 C ALA A 88 28.002 17.448 9.227 1.00 0.00 C ATOM 1246 O ALA A 88 26.866 17.015 9.420 1.00 0.00 O ATOM 1247 CB ALA A 88 29.551 17.750 11.174 1.00 0.00 C ATOM 0 H ALA A 88 31.105 17.384 9.281 1.00 0.00 H new ATOM 0 HA ALA A 88 28.928 15.888 10.356 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.685 17.839 11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.377 17.299 11.724 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.845 18.740 10.825 1.00 0.00 H new ATOM 1253 N VAL A 89 28.277 18.412 8.351 1.00 0.00 N ATOM 1254 CA VAL A 89 27.251 19.005 7.502 1.00 0.00 C ATOM 1255 C VAL A 89 26.612 17.940 6.617 1.00 0.00 C ATOM 1256 O VAL A 89 25.387 17.826 6.545 1.00 0.00 O ATOM 1257 CB VAL A 89 27.840 20.127 6.613 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.822 20.614 5.590 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.325 21.289 7.467 1.00 0.00 C ATOM 0 H VAL A 89 29.210 18.800 8.212 1.00 0.00 H new ATOM 0 HA VAL A 89 26.493 19.438 8.154 1.00 0.00 H new ATOM 0 HB VAL A 89 28.690 19.710 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 89 27.266 21.402 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.525 19.784 4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.946 21.005 6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.735 22.067 6.823 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.490 21.694 8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 89 29.098 20.940 8.152 1.00 0.00 H new ATOM 1269 N LEU A 90 27.452 17.146 5.966 1.00 0.00 N ATOM 1270 CA LEU A 90 26.992 16.094 5.087 1.00 0.00 C ATOM 1271 C LEU A 90 26.184 15.041 5.841 1.00 0.00 C ATOM 1272 O LEU A 90 25.156 14.573 5.351 1.00 0.00 O ATOM 1273 CB LEU A 90 28.189 15.459 4.388 1.00 0.00 C ATOM 1274 CG LEU A 90 28.569 16.085 3.048 1.00 0.00 C ATOM 1275 CD1 LEU A 90 29.788 15.386 2.470 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.399 16.019 2.075 1.00 0.00 C ATOM 0 H LEU A 90 28.467 17.217 6.036 1.00 0.00 H new ATOM 0 HA LEU A 90 26.328 16.532 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.050 15.516 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 90 27.978 14.402 4.230 1.00 0.00 H new ATOM 0 HG LEU A 90 28.816 17.134 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 90 30.049 15.841 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 90 30.626 15.485 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.565 14.330 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.689 16.470 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 90 27.120 14.978 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 90 26.550 16.562 2.490 1.00 0.00 H new ATOM 1288 N ASN A 91 26.641 14.677 7.034 1.00 0.00 N ATOM 1289 CA ASN A 91 25.925 13.700 7.854 1.00 0.00 C ATOM 1290 C ASN A 91 24.573 14.245 8.299 1.00 0.00 C ATOM 1291 O ASN A 91 23.602 13.498 8.403 1.00 0.00 O ATOM 1292 CB ASN A 91 26.756 13.282 9.071 1.00 0.00 C ATOM 1293 CG ASN A 91 27.676 12.111 8.770 1.00 0.00 C ATOM 1294 OD1 ASN A 91 27.289 10.951 8.917 1.00 0.00 O ATOM 1295 ND2 ASN A 91 28.898 12.399 8.349 1.00 0.00 N ATOM 0 H ASN A 91 27.497 15.039 7.455 1.00 0.00 H new ATOM 0 HA ASN A 91 25.755 12.817 7.237 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.351 14.130 9.410 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.088 13.014 9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 91 29.554 11.648 8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.183 13.372 8.239 1.00 0.00 H new ATOM 1302 N THR A 92 24.515 15.549 8.546 1.00 0.00 N ATOM 1303 CA THR A 92 23.264 16.203 8.905 1.00 0.00 C ATOM 1304 C THR A 92 22.243 16.054 7.777 1.00 0.00 C ATOM 1305 O THR A 92 21.123 15.586 7.990 1.00 0.00 O ATOM 1306 CB THR A 92 23.482 17.702 9.210 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.421 17.860 10.287 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.171 18.380 9.577 1.00 0.00 C ATOM 0 H THR A 92 25.320 16.173 8.504 1.00 0.00 H new ATOM 0 HA THR A 92 22.884 15.719 9.805 1.00 0.00 H new ATOM 0 HB THR A 92 23.879 18.172 8.310 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.330 17.713 9.952 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.353 19.434 9.787 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.470 18.291 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.749 17.902 10.461 1.00 0.00 H new ATOM 1316 N ILE A 93 22.650 16.437 6.569 1.00 0.00 N ATOM 1317 CA ILE A 93 21.793 16.319 5.394 1.00 0.00 C ATOM 1318 C ILE A 93 21.384 14.866 5.172 1.00 0.00 C ATOM 1319 O ILE A 93 20.207 14.562 4.968 1.00 0.00 O ATOM 1320 CB ILE A 93 22.503 16.846 4.127 1.00 0.00 C ATOM 1321 CG1 ILE A 93 22.943 18.301 4.321 1.00 0.00 C ATOM 1322 CG2 ILE A 93 21.601 16.717 2.904 1.00 0.00 C ATOM 1323 CD1 ILE A 93 21.803 19.257 4.609 1.00 0.00 C ATOM 0 H ILE A 93 23.571 16.833 6.379 1.00 0.00 H new ATOM 0 HA ILE A 93 20.905 16.924 5.577 1.00 0.00 H new ATOM 0 HB ILE A 93 23.391 16.237 3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.658 18.347 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.465 18.634 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.123 17.095 2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.344 15.669 2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 93 20.690 17.295 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.197 20.266 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.098 19.243 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.294 18.951 5.523 1.00 0.00 H new ATOM 1335 N GLY A 94 22.368 13.976 5.248 1.00 0.00 N ATOM 1336 CA GLY A 94 22.136 12.570 4.987 1.00 0.00 C ATOM 1337 C GLY A 94 21.166 11.927 5.956 1.00 0.00 C ATOM 1338 O GLY A 94 20.456 10.992 5.597 1.00 0.00 O ATOM 0 H GLY A 94 23.332 14.209 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.753 12.455 3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.087 12.039 5.031 1.00 0.00 H new ATOM 1342 N ALA A 95 21.128 12.429 7.178 1.00 0.00 N ATOM 1343 CA ALA A 95 20.266 11.867 8.211 1.00 0.00 C ATOM 1344 C ALA A 95 18.876 12.483 8.156 1.00 0.00 C ATOM 1345 O ALA A 95 17.871 11.767 8.138 1.00 0.00 O ATOM 1346 CB ALA A 95 20.883 12.072 9.586 1.00 0.00 C ATOM 0 H ALA A 95 21.685 13.227 7.483 1.00 0.00 H new ATOM 0 HA ALA A 95 20.170 10.797 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.227 11.647 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.854 11.578 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.011 13.138 9.772 1.00 0.00 H new ATOM 1352 N CYS A 96 18.827 13.810 8.105 1.00 0.00 N ATOM 1353 CA CYS A 96 17.563 14.536 8.088 1.00 0.00 C ATOM 1354 C CYS A 96 16.702 14.135 6.896 1.00 0.00 C ATOM 1355 O CYS A 96 15.481 14.038 7.011 1.00 0.00 O ATOM 1356 CB CYS A 96 17.817 16.044 8.068 1.00 0.00 C ATOM 1357 SG CYS A 96 18.541 16.697 9.609 1.00 0.00 S ATOM 0 H CYS A 96 19.653 14.407 8.075 1.00 0.00 H new ATOM 0 HA CYS A 96 17.020 14.275 8.996 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.484 16.278 7.238 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.875 16.558 7.875 1.00 0.00 H new ATOM 1362 N LEU A 97 17.340 13.884 5.762 1.00 0.00 N ATOM 1363 CA LEU A 97 16.624 13.499 4.551 1.00 0.00 C ATOM 1364 C LEU A 97 15.877 12.182 4.776 1.00 0.00 C ATOM 1365 O LEU A 97 14.743 12.015 4.329 1.00 0.00 O ATOM 1366 CB LEU A 97 17.621 13.386 3.383 1.00 0.00 C ATOM 1367 CG LEU A 97 17.027 13.232 1.970 1.00 0.00 C ATOM 1368 CD1 LEU A 97 16.630 11.790 1.693 1.00 0.00 C ATOM 1369 CD2 LEU A 97 15.829 14.155 1.785 1.00 0.00 C ATOM 0 H LEU A 97 18.353 13.940 5.654 1.00 0.00 H new ATOM 0 HA LEU A 97 15.885 14.260 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.253 14.274 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.270 12.531 3.573 1.00 0.00 H new ATOM 0 HG LEU A 97 17.799 13.515 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.214 11.714 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.508 11.149 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 97 15.883 11.472 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 97 15.425 14.030 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.062 13.907 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 97 16.142 15.190 1.924 1.00 0.00 H new ATOM 1381 N ARG A 98 16.505 11.275 5.513 1.00 0.00 N ATOM 1382 CA ARG A 98 15.951 9.940 5.732 1.00 0.00 C ATOM 1383 C ARG A 98 14.669 9.985 6.553 1.00 0.00 C ATOM 1384 O ARG A 98 13.644 9.436 6.143 1.00 0.00 O ATOM 1385 CB ARG A 98 16.981 9.047 6.416 1.00 0.00 C ATOM 1386 CG ARG A 98 18.250 8.896 5.604 1.00 0.00 C ATOM 1387 CD ARG A 98 19.301 8.091 6.342 1.00 0.00 C ATOM 1388 NE ARG A 98 20.569 8.068 5.611 1.00 0.00 N ATOM 1389 CZ ARG A 98 21.406 7.029 5.588 1.00 0.00 C ATOM 1390 NH1 ARG A 98 21.125 5.929 6.278 1.00 0.00 N ATOM 1391 NH2 ARG A 98 22.529 7.097 4.877 1.00 0.00 N ATOM 0 H ARG A 98 17.401 11.438 5.972 1.00 0.00 H new ATOM 0 HA ARG A 98 15.703 9.524 4.756 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.226 9.464 7.393 1.00 0.00 H new ATOM 0 HB3 ARG A 98 16.546 8.063 6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.019 8.409 4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.649 9.882 5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 98 19.458 8.517 7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.945 7.071 6.487 1.00 0.00 H new ATOM 0 HE ARG A 98 20.830 8.902 5.084 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.267 5.877 6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.767 5.137 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.749 7.943 4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 98 23.170 6.304 4.859 1.00 0.00 H new ATOM 1405 N GLU A 99 14.725 10.637 7.711 1.00 0.00 N ATOM 1406 CA GLU A 99 13.550 10.741 8.573 1.00 0.00 C ATOM 1407 C GLU A 99 12.420 11.472 7.861 1.00 0.00 C ATOM 1408 O GLU A 99 11.262 11.064 7.930 1.00 0.00 O ATOM 1409 CB GLU A 99 13.872 11.448 9.897 1.00 0.00 C ATOM 1410 CG GLU A 99 14.447 12.850 9.745 1.00 0.00 C ATOM 1411 CD GLU A 99 14.327 13.677 11.013 1.00 0.00 C ATOM 1412 OE1 GLU A 99 13.291 14.354 11.188 1.00 0.00 O ATOM 1413 OE2 GLU A 99 15.257 13.657 11.843 1.00 0.00 O ATOM 0 H GLU A 99 15.561 11.097 8.072 1.00 0.00 H new ATOM 0 HA GLU A 99 13.232 9.724 8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.961 11.506 10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.581 10.838 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.497 12.778 9.462 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.932 13.363 8.932 1.00 0.00 H new ATOM 1420 N SER A 100 12.774 12.532 7.152 1.00 0.00 N ATOM 1421 CA SER A 100 11.799 13.353 6.448 1.00 0.00 C ATOM 1422 C SER A 100 10.981 12.526 5.456 1.00 0.00 C ATOM 1423 O SER A 100 9.783 12.762 5.279 1.00 0.00 O ATOM 1424 CB SER A 100 12.510 14.490 5.721 1.00 0.00 C ATOM 1425 OG SER A 100 13.218 15.310 6.635 1.00 0.00 O ATOM 0 H SER A 100 13.739 12.847 7.048 1.00 0.00 H new ATOM 0 HA SER A 100 11.110 13.765 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.200 14.080 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.782 15.091 5.176 1.00 0.00 H new ATOM 0 HG SER A 100 14.111 14.936 6.785 1.00 0.00 H new ATOM 1431 N MET A 101 11.623 11.551 4.825 1.00 0.00 N ATOM 1432 CA MET A 101 10.947 10.701 3.852 1.00 0.00 C ATOM 1433 C MET A 101 9.905 9.813 4.525 1.00 0.00 C ATOM 1434 O MET A 101 8.773 9.691 4.045 1.00 0.00 O ATOM 1435 CB MET A 101 11.947 9.829 3.095 1.00 0.00 C ATOM 1436 CG MET A 101 12.831 10.595 2.125 1.00 0.00 C ATOM 1437 SD MET A 101 13.906 9.509 1.167 1.00 0.00 S ATOM 1438 CE MET A 101 12.698 8.494 0.316 1.00 0.00 C ATOM 0 H MET A 101 12.608 11.329 4.969 1.00 0.00 H new ATOM 0 HA MET A 101 10.444 11.360 3.144 1.00 0.00 H new ATOM 0 HB2 MET A 101 12.580 9.312 3.816 1.00 0.00 H new ATOM 0 HB3 MET A 101 11.401 9.063 2.544 1.00 0.00 H new ATOM 0 HG2 MET A 101 12.204 11.172 1.445 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.441 11.308 2.680 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.145 8.074 -0.585 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.376 7.685 0.972 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.837 9.105 0.043 1.00 0.00 H new ATOM 1448 N MET A 102 10.280 9.207 5.648 1.00 0.00 N ATOM 1449 CA MET A 102 9.384 8.285 6.335 1.00 0.00 C ATOM 1450 C MET A 102 8.348 9.034 7.171 1.00 0.00 C ATOM 1451 O MET A 102 7.386 8.442 7.657 1.00 0.00 O ATOM 1452 CB MET A 102 10.162 7.303 7.206 1.00 0.00 C ATOM 1453 CG MET A 102 10.711 7.892 8.491 1.00 0.00 C ATOM 1454 SD MET A 102 11.611 6.666 9.458 1.00 0.00 S ATOM 1455 CE MET A 102 10.434 5.315 9.442 1.00 0.00 C ATOM 0 H MET A 102 11.187 9.336 6.096 1.00 0.00 H new ATOM 0 HA MET A 102 8.856 7.717 5.569 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.511 6.465 7.456 1.00 0.00 H new ATOM 0 HB3 MET A 102 10.991 6.900 6.624 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.372 8.726 8.255 1.00 0.00 H new ATOM 0 HG3 MET A 102 9.891 8.294 9.086 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.621 4.659 10.292 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.422 5.714 9.507 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.542 4.749 8.517 1.00 0.00 H new ATOM 1465 N GLN A 103 8.553 10.328 7.349 1.00 0.00 N ATOM 1466 CA GLN A 103 7.544 11.167 7.973 1.00 0.00 C ATOM 1467 C GLN A 103 6.504 11.578 6.939 1.00 0.00 C ATOM 1468 O GLN A 103 5.389 11.970 7.284 1.00 0.00 O ATOM 1469 CB GLN A 103 8.177 12.406 8.614 1.00 0.00 C ATOM 1470 CG GLN A 103 8.350 12.297 10.124 1.00 0.00 C ATOM 1471 CD GLN A 103 9.324 11.214 10.552 1.00 0.00 C ATOM 1472 OE1 GLN A 103 10.522 11.459 10.700 1.00 0.00 O ATOM 1473 NE2 GLN A 103 8.822 10.012 10.774 1.00 0.00 N ATOM 0 H GLN A 103 9.404 10.818 7.072 1.00 0.00 H new ATOM 0 HA GLN A 103 7.058 10.594 8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.151 12.582 8.158 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.559 13.275 8.390 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.694 13.256 10.511 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.379 12.100 10.578 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.825 9.843 10.642 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.432 9.253 11.078 1.00 0.00 H new ATOM 1482 N ALA A 104 6.873 11.467 5.667 1.00 0.00 N ATOM 1483 CA ALA A 104 5.968 11.796 4.577 1.00 0.00 C ATOM 1484 C ALA A 104 5.061 10.614 4.250 1.00 0.00 C ATOM 1485 O ALA A 104 3.851 10.677 4.474 1.00 0.00 O ATOM 1486 CB ALA A 104 6.752 12.226 3.343 1.00 0.00 C ATOM 0 H ALA A 104 7.795 11.151 5.368 1.00 0.00 H new ATOM 0 HA ALA A 104 5.340 12.628 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.059 12.468 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.353 13.104 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.406 11.414 3.026 1.00 0.00 H new ATOM 1492 N THR A 105 5.657 9.528 3.747 1.00 0.00 N ATOM 1493 CA THR A 105 4.893 8.349 3.322 1.00 0.00 C ATOM 1494 C THR A 105 5.784 7.327 2.601 1.00 0.00 C ATOM 1495 O THR A 105 5.431 6.150 2.491 1.00 0.00 O ATOM 1496 CB THR A 105 3.716 8.738 2.385 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.854 7.614 2.159 1.00 0.00 O ATOM 1498 CG2 THR A 105 4.228 9.256 1.046 1.00 0.00 C ATOM 0 H THR A 105 6.666 9.440 3.624 1.00 0.00 H new ATOM 0 HA THR A 105 4.494 7.898 4.231 1.00 0.00 H new ATOM 0 HB THR A 105 3.154 9.530 2.879 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.119 7.879 1.568 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.383 9.520 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.848 10.137 1.210 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.820 8.481 0.558 1.00 0.00 H new ATOM 1506 N GLY A 106 6.941 7.768 2.117 1.00 0.00 N ATOM 1507 CA GLY A 106 7.775 6.904 1.302 1.00 0.00 C ATOM 1508 C GLY A 106 8.755 6.073 2.104 1.00 0.00 C ATOM 1509 O GLY A 106 9.583 5.372 1.521 1.00 0.00 O ATOM 0 H GLY A 106 7.315 8.704 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.136 6.238 0.723 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.328 7.515 0.589 1.00 0.00 H new ATOM 1513 N SER A 107 8.653 6.135 3.435 1.00 0.00 N ATOM 1514 CA SER A 107 9.571 5.430 4.319 1.00 0.00 C ATOM 1515 C SER A 107 11.017 5.853 4.052 1.00 0.00 C ATOM 1516 O SER A 107 11.268 6.847 3.371 1.00 0.00 O ATOM 1517 CB SER A 107 9.404 3.924 4.140 1.00 0.00 C ATOM 1518 OG SER A 107 8.062 3.532 4.378 1.00 0.00 O ATOM 0 H SER A 107 7.936 6.672 3.922 1.00 0.00 H new ATOM 0 HA SER A 107 9.335 5.690 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.697 3.639 3.129 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.068 3.396 4.825 1.00 0.00 H new ATOM 0 HG SER A 107 7.978 2.563 4.256 1.00 0.00 H new ATOM 1524 N VAL A 108 11.966 5.124 4.614 1.00 0.00 N ATOM 1525 CA VAL A 108 13.366 5.395 4.349 1.00 0.00 C ATOM 1526 C VAL A 108 13.864 4.458 3.264 1.00 0.00 C ATOM 1527 O VAL A 108 14.259 3.323 3.540 1.00 0.00 O ATOM 1528 CB VAL A 108 14.245 5.243 5.605 1.00 0.00 C ATOM 1529 CG1 VAL A 108 15.659 5.735 5.331 1.00 0.00 C ATOM 1530 CG2 VAL A 108 13.638 5.992 6.776 1.00 0.00 C ATOM 0 H VAL A 108 11.794 4.346 5.251 1.00 0.00 H new ATOM 0 HA VAL A 108 13.442 6.433 4.024 1.00 0.00 H new ATOM 0 HB VAL A 108 14.293 4.185 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.265 5.620 6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.097 5.152 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.629 6.787 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.274 5.872 7.653 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.557 7.050 6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.647 5.592 6.989 1.00 0.00 H new ATOM 1540 N ASP A 109 13.797 4.926 2.027 1.00 0.00 N ATOM 1541 CA ASP A 109 14.219 4.135 0.879 1.00 0.00 C ATOM 1542 C ASP A 109 15.729 3.915 0.903 1.00 0.00 C ATOM 1543 O ASP A 109 16.473 4.728 1.449 1.00 0.00 O ATOM 1544 CB ASP A 109 13.799 4.822 -0.422 1.00 0.00 C ATOM 1545 CG ASP A 109 14.219 4.035 -1.643 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.607 2.983 -1.914 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.177 4.460 -2.318 1.00 0.00 O ATOM 0 H ASP A 109 13.452 5.856 1.791 1.00 0.00 H new ATOM 0 HA ASP A 109 13.731 3.162 0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.717 4.952 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.240 5.818 -0.464 1.00 0.00 H new ATOM 1552 N ASN A 110 16.172 2.818 0.305 1.00 0.00 N ATOM 1553 CA ASN A 110 17.578 2.427 0.353 1.00 0.00 C ATOM 1554 C ASN A 110 18.380 3.065 -0.778 1.00 0.00 C ATOM 1555 O ASN A 110 19.609 3.114 -0.727 1.00 0.00 O ATOM 1556 CB ASN A 110 17.714 0.899 0.283 1.00 0.00 C ATOM 1557 CG ASN A 110 17.220 0.318 -1.035 1.00 0.00 C ATOM 1558 OD1 ASN A 110 17.981 0.172 -1.993 1.00 0.00 O ATOM 1559 ND2 ASN A 110 15.941 -0.023 -1.091 1.00 0.00 N ATOM 0 H ASN A 110 15.577 2.179 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 110 17.981 2.784 1.300 1.00 0.00 H new ATOM 0 HB2 ASN A 110 18.760 0.626 0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 110 17.153 0.452 1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.556 -0.421 -1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.341 0.113 -0.277 1.00 0.00 H new ATOM 1566 N ALA A 111 17.689 3.560 -1.794 1.00 0.00 N ATOM 1567 CA ALA A 111 18.357 4.103 -2.966 1.00 0.00 C ATOM 1568 C ALA A 111 18.360 5.625 -2.950 1.00 0.00 C ATOM 1569 O ALA A 111 19.410 6.242 -3.093 1.00 0.00 O ATOM 1570 CB ALA A 111 17.702 3.583 -4.240 1.00 0.00 C ATOM 0 H ALA A 111 16.670 3.597 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 111 19.394 3.769 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.214 3.999 -5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.769 2.495 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.654 3.882 -4.259 1.00 0.00 H new ATOM 1576 N PHE A 112 17.191 6.231 -2.756 1.00 0.00 N ATOM 1577 CA PHE A 112 17.065 7.687 -2.832 1.00 0.00 C ATOM 1578 C PHE A 112 17.899 8.385 -1.754 1.00 0.00 C ATOM 1579 O PHE A 112 18.520 9.418 -2.016 1.00 0.00 O ATOM 1580 CB PHE A 112 15.601 8.120 -2.721 1.00 0.00 C ATOM 1581 CG PHE A 112 15.404 9.598 -2.925 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.485 10.151 -4.194 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.154 10.435 -1.849 1.00 0.00 C ATOM 1584 CE1 PHE A 112 15.314 11.508 -4.385 1.00 0.00 C ATOM 1585 CE2 PHE A 112 14.981 11.793 -2.035 1.00 0.00 C ATOM 1586 CZ PHE A 112 15.065 12.332 -3.304 1.00 0.00 C ATOM 0 H PHE A 112 16.321 5.741 -2.546 1.00 0.00 H new ATOM 0 HA PHE A 112 17.448 7.989 -3.807 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.011 7.576 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.220 7.841 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.684 9.513 -5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.094 10.021 -0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 112 15.375 11.925 -5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.780 12.433 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.936 13.394 -3.451 1.00 0.00 H new ATOM 1596 N THR A 113 17.934 7.805 -0.557 1.00 0.00 N ATOM 1597 CA THR A 113 18.680 8.388 0.559 1.00 0.00 C ATOM 1598 C THR A 113 20.187 8.280 0.325 1.00 0.00 C ATOM 1599 O THR A 113 20.992 8.840 1.065 1.00 0.00 O ATOM 1600 CB THR A 113 18.323 7.692 1.885 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.563 6.283 1.774 1.00 0.00 O ATOM 1602 CG2 THR A 113 16.866 7.934 2.251 1.00 0.00 C ATOM 0 H THR A 113 17.455 6.932 -0.333 1.00 0.00 H new ATOM 0 HA THR A 113 18.401 9.440 0.621 1.00 0.00 H new ATOM 0 HB THR A 113 18.951 8.111 2.671 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.710 5.814 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 113 16.639 7.432 3.191 1.00 0.00 H new ATOM 0 HG22 THR A 113 16.691 9.004 2.360 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.223 7.539 1.464 1.00 0.00 H new ATOM 1610 N ASN A 114 20.541 7.546 -0.713 1.00 0.00 N ATOM 1611 CA ASN A 114 21.927 7.341 -1.104 1.00 0.00 C ATOM 1612 C ASN A 114 22.234 8.140 -2.368 1.00 0.00 C ATOM 1613 O ASN A 114 23.262 8.805 -2.467 1.00 0.00 O ATOM 1614 CB ASN A 114 22.144 5.841 -1.341 1.00 0.00 C ATOM 1615 CG ASN A 114 23.416 5.506 -2.098 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.451 6.150 -1.941 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.328 4.487 -2.941 1.00 0.00 N ATOM 0 H ASN A 114 19.870 7.070 -1.316 1.00 0.00 H new ATOM 0 HA ASN A 114 22.599 7.686 -0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 114 22.164 5.332 -0.377 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.292 5.445 -1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.140 4.209 -3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.448 3.981 -3.039 1.00 0.00 H new ATOM 1624 N GLU A 115 21.305 8.090 -3.311 1.00 0.00 N ATOM 1625 CA GLU A 115 21.437 8.718 -4.593 1.00 0.00 C ATOM 1626 C GLU A 115 21.608 10.233 -4.466 1.00 0.00 C ATOM 1627 O GLU A 115 22.573 10.796 -4.984 1.00 0.00 O ATOM 1628 CB GLU A 115 20.191 8.362 -5.391 1.00 0.00 C ATOM 1629 CG GLU A 115 20.248 8.801 -6.819 1.00 0.00 C ATOM 1630 CD GLU A 115 19.108 8.238 -7.642 1.00 0.00 C ATOM 1631 OE1 GLU A 115 17.985 8.778 -7.558 1.00 0.00 O ATOM 1632 OE2 GLU A 115 19.337 7.258 -8.382 1.00 0.00 O ATOM 0 H GLU A 115 20.421 7.596 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 115 22.333 8.361 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.044 7.282 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.322 8.817 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.221 9.890 -6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.197 8.488 -7.255 1.00 0.00 H new ATOM 1639 N VAL A 116 20.687 10.887 -3.762 1.00 0.00 N ATOM 1640 CA VAL A 116 20.763 12.335 -3.582 1.00 0.00 C ATOM 1641 C VAL A 116 22.021 12.706 -2.802 1.00 0.00 C ATOM 1642 O VAL A 116 22.669 13.703 -3.100 1.00 0.00 O ATOM 1643 CB VAL A 116 19.502 12.899 -2.877 1.00 0.00 C ATOM 1644 CG1 VAL A 116 19.437 12.497 -1.413 1.00 0.00 C ATOM 1645 CG2 VAL A 116 19.435 14.412 -3.020 1.00 0.00 C ATOM 0 H VAL A 116 19.887 10.443 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 116 20.811 12.787 -4.573 1.00 0.00 H new ATOM 0 HB VAL A 116 18.635 12.462 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.538 12.915 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 116 19.411 11.410 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.315 12.878 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 116 18.543 14.786 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 116 20.320 14.860 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 116 19.394 14.676 -4.077 1.00 0.00 H new ATOM 1655 N MET A 117 22.378 11.870 -1.835 1.00 0.00 N ATOM 1656 CA MET A 117 23.571 12.088 -1.028 1.00 0.00 C ATOM 1657 C MET A 117 24.827 11.985 -1.871 1.00 0.00 C ATOM 1658 O MET A 117 25.685 12.863 -1.810 1.00 0.00 O ATOM 1659 CB MET A 117 23.617 11.101 0.138 1.00 0.00 C ATOM 1660 CG MET A 117 22.581 11.396 1.211 1.00 0.00 C ATOM 1661 SD MET A 117 22.485 13.150 1.631 1.00 0.00 S ATOM 1662 CE MET A 117 24.168 13.488 2.145 1.00 0.00 C ATOM 0 H MET A 117 21.854 11.030 -1.590 1.00 0.00 H new ATOM 0 HA MET A 117 23.525 13.098 -0.622 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.460 10.091 -0.242 1.00 0.00 H new ATOM 0 HB3 MET A 117 24.611 11.122 0.585 1.00 0.00 H new ATOM 0 HG2 MET A 117 21.604 11.055 0.869 1.00 0.00 H new ATOM 0 HG3 MET A 117 22.821 10.825 2.108 1.00 0.00 H new ATOM 0 HE1 MET A 117 24.188 14.393 2.753 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.545 12.649 2.730 1.00 0.00 H new ATOM 0 HE3 MET A 117 24.796 13.628 1.265 1.00 0.00 H new ATOM 1672 N GLN A 118 24.924 10.928 -2.667 1.00 0.00 N ATOM 1673 CA GLN A 118 26.051 10.745 -3.574 1.00 0.00 C ATOM 1674 C GLN A 118 26.231 11.982 -4.445 1.00 0.00 C ATOM 1675 O GLN A 118 27.347 12.462 -4.652 1.00 0.00 O ATOM 1676 CB GLN A 118 25.817 9.520 -4.456 1.00 0.00 C ATOM 1677 CG GLN A 118 26.971 9.210 -5.395 1.00 0.00 C ATOM 1678 CD GLN A 118 26.614 8.154 -6.419 1.00 0.00 C ATOM 1679 OE1 GLN A 118 26.141 8.470 -7.509 1.00 0.00 O ATOM 1680 NE2 GLN A 118 26.823 6.893 -6.073 1.00 0.00 N ATOM 0 H GLN A 118 24.232 10.180 -2.703 1.00 0.00 H new ATOM 0 HA GLN A 118 26.955 10.593 -2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 118 25.637 8.654 -3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 118 24.913 9.676 -5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.273 10.123 -5.909 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.829 8.873 -4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.218 6.674 -5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 118 26.589 6.141 -6.721 1.00 0.00 H new ATOM 1689 N LEU A 119 25.116 12.501 -4.933 1.00 0.00 N ATOM 1690 CA LEU A 119 25.124 13.690 -5.766 1.00 0.00 C ATOM 1691 C LEU A 119 25.492 14.935 -4.962 1.00 0.00 C ATOM 1692 O LEU A 119 26.338 15.712 -5.392 1.00 0.00 O ATOM 1693 CB LEU A 119 23.766 13.857 -6.441 1.00 0.00 C ATOM 1694 CG LEU A 119 23.506 12.876 -7.585 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.023 12.552 -7.690 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.015 13.449 -8.899 1.00 0.00 C ATOM 0 H LEU A 119 24.188 12.113 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 119 25.888 13.567 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 119 22.984 13.738 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.687 14.874 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 119 24.045 11.953 -7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 119 21.861 11.853 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.682 12.103 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.463 13.468 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 119 23.823 12.740 -9.704 1.00 0.00 H new ATOM 0 HD22 LEU A 119 23.500 14.386 -9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.087 13.632 -8.825 1.00 0.00 H new ATOM 1708 N VAL A 120 24.873 15.119 -3.796 1.00 0.00 N ATOM 1709 CA VAL A 120 25.194 16.260 -2.931 1.00 0.00 C ATOM 1710 C VAL A 120 26.687 16.300 -2.635 1.00 0.00 C ATOM 1711 O VAL A 120 27.358 17.283 -2.930 1.00 0.00 O ATOM 1712 CB VAL A 120 24.426 16.220 -1.584 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.943 17.288 -0.627 1.00 0.00 C ATOM 1714 CG2 VAL A 120 22.935 16.401 -1.799 1.00 0.00 C ATOM 0 H VAL A 120 24.151 14.499 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 120 24.887 17.153 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 120 24.598 15.239 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.387 17.237 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 120 26.002 17.118 -0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.810 18.273 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.422 16.369 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.750 17.363 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.560 15.601 -2.438 1.00 0.00 H new ATOM 1724 N LYS A 121 27.194 15.205 -2.085 1.00 0.00 N ATOM 1725 CA LYS A 121 28.594 15.099 -1.685 1.00 0.00 C ATOM 1726 C LYS A 121 29.529 15.447 -2.838 1.00 0.00 C ATOM 1727 O LYS A 121 30.509 16.173 -2.668 1.00 0.00 O ATOM 1728 CB LYS A 121 28.873 13.675 -1.201 1.00 0.00 C ATOM 1729 CG LYS A 121 28.012 13.265 -0.015 1.00 0.00 C ATOM 1730 CD LYS A 121 27.986 11.757 0.187 1.00 0.00 C ATOM 1731 CE LYS A 121 29.363 11.212 0.543 1.00 0.00 C ATOM 1732 NZ LYS A 121 29.345 9.740 0.753 1.00 0.00 N ATOM 0 H LYS A 121 26.647 14.363 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 121 28.778 15.810 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.703 12.979 -2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 121 29.924 13.592 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.390 13.744 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 121 26.995 13.627 -0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.280 11.508 0.980 1.00 0.00 H new ATOM 0 HD3 LYS A 121 27.628 11.274 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 121 30.066 11.455 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 121 29.724 11.702 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 30.302 9.412 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 28.694 9.508 1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 29.026 9.269 -0.118 1.00 0.00 H new ATOM 1746 N MET A 122 29.198 14.943 -4.013 1.00 0.00 N ATOM 1747 CA MET A 122 30.049 15.087 -5.184 1.00 0.00 C ATOM 1748 C MET A 122 29.870 16.444 -5.870 1.00 0.00 C ATOM 1749 O MET A 122 30.814 16.975 -6.458 1.00 0.00 O ATOM 1750 CB MET A 122 29.776 13.918 -6.144 1.00 0.00 C ATOM 1751 CG MET A 122 30.320 14.096 -7.552 1.00 0.00 C ATOM 1752 SD MET A 122 29.080 14.721 -8.703 1.00 0.00 S ATOM 1753 CE MET A 122 27.868 13.395 -8.674 1.00 0.00 C ATOM 0 H MET A 122 28.336 14.424 -4.184 1.00 0.00 H new ATOM 0 HA MET A 122 31.091 15.055 -4.867 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.205 13.011 -5.718 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.699 13.763 -6.205 1.00 0.00 H new ATOM 0 HG2 MET A 122 31.165 14.784 -7.526 1.00 0.00 H new ATOM 0 HG3 MET A 122 30.698 13.140 -7.915 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.364 13.342 -9.639 1.00 0.00 H new ATOM 0 HE2 MET A 122 28.369 12.448 -8.474 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.135 13.589 -7.891 1.00 0.00 H new ATOM 1763 N LEU A 123 28.682 17.017 -5.775 1.00 0.00 N ATOM 1764 CA LEU A 123 28.416 18.312 -6.392 1.00 0.00 C ATOM 1765 C LEU A 123 28.825 19.458 -5.474 1.00 0.00 C ATOM 1766 O LEU A 123 28.800 20.620 -5.878 1.00 0.00 O ATOM 1767 CB LEU A 123 26.936 18.447 -6.761 1.00 0.00 C ATOM 1768 CG LEU A 123 26.453 17.528 -7.888 1.00 0.00 C ATOM 1769 CD1 LEU A 123 24.945 17.629 -8.050 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.151 17.871 -9.196 1.00 0.00 C ATOM 0 H LEU A 123 27.888 16.611 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 123 29.014 18.367 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.338 18.248 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.744 19.480 -7.050 1.00 0.00 H new ATOM 0 HG LEU A 123 26.704 16.501 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.621 16.969 -8.855 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.459 17.334 -7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.673 18.657 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.794 17.207 -9.984 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.932 18.904 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.227 17.747 -9.077 1.00 0.00 H new ATOM 1782 N SER A 124 29.216 19.136 -4.247 1.00 0.00 N ATOM 1783 CA SER A 124 29.590 20.167 -3.288 1.00 0.00 C ATOM 1784 C SER A 124 31.086 20.434 -3.349 1.00 0.00 C ATOM 1785 O SER A 124 31.521 21.580 -3.447 1.00 0.00 O ATOM 1786 CB SER A 124 29.197 19.765 -1.865 1.00 0.00 C ATOM 1787 OG SER A 124 27.809 19.522 -1.759 1.00 0.00 O ATOM 0 H SER A 124 29.282 18.181 -3.896 1.00 0.00 H new ATOM 0 HA SER A 124 29.052 21.077 -3.553 1.00 0.00 H new ATOM 0 HB2 SER A 124 29.747 18.870 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 124 29.483 20.555 -1.171 1.00 0.00 H new ATOM 0 HG SER A 124 27.614 18.607 -2.051 1.00 0.00 H new ATOM 1793 N ALA A 125 31.867 19.367 -3.319 1.00 0.00 N ATOM 1794 CA ALA A 125 33.300 19.475 -3.296 1.00 0.00 C ATOM 1795 C ALA A 125 33.905 18.211 -3.862 1.00 0.00 C ATOM 1796 O ALA A 125 33.368 17.115 -3.691 1.00 0.00 O ATOM 1797 CB ALA A 125 33.797 19.719 -1.882 1.00 0.00 C ATOM 0 H ALA A 125 31.518 18.408 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 125 33.605 20.324 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.884 19.798 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.368 20.645 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.496 18.889 -1.242 1.00 0.00 H new