USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=37 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 118 GLN : amide:sc= 0.832 K(o=1.9,f=-9.7!) USER MOD Set 1.2: A 121 LYS NZ :NH3+ -153:sc= 1.04 (180deg=-1.12) USER MOD Set 2.1: A 86 TYR OH : rot -100:sc= 0.286 USER MOD Set 2.2: A 124 SER OG : rot -91:sc= 1.41 USER MOD Set 3.1: A 36 GLN : amide:sc= -0.112 K(o=1.2,f=-5.1!) USER MOD Set 3.2: A 81 SER OG : rot 50:sc= 1.27 USER MOD Set 4.1: A 67 ASN : amide:sc= 0.0244 K(o=0.52,f=-5!) USER MOD Set 4.2: A 68 THR OG1 : rot 39:sc= 0.492 USER MOD Set 5.1: A 46 SER OG : rot -120:sc= 1.28 USER MOD Set 5.2: A 50 GLN : amide:sc= 0.163 K(o=1.4,f=0.84) USER MOD Set 6.1: A 40 MET CE :methyl -159:sc= -0.0874 (180deg=-0.606) USER MOD Set 6.2: A 43 MET CE :methyl -165:sc= -0.605 (180deg=-1.15) USER MOD Set 7.1: A 21 ASN : amide:sc=-0.00702 K(o=0.39,f=-3.9!) USER MOD Set 7.2: A 24 GLN : amide:sc= 0.393 K(o=0.39,f=-3!) USER MOD Set 8.1: A 16 MET CE :methyl -152:sc= -4.11! (180deg=-4.46!) USER MOD Set 8.2: A 19 THR OG1 : rot 77:sc= 0.75 USER MOD Set 8.3: A 48 ASN :FLIP amide:sc= -0.124 F(o=-5.4!,f=-3.5) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 11 ASN : amide:sc= 0.847 K(o=0.85,f=-6.4!) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 17 THR OG1 : rot 59:sc= 1.24 USER MOD Single : A 18 MET CE :methyl -145:sc= 0 (180deg=-0.244) USER MOD Single : A 20 ASN : amide:sc= 1.03 K(o=1,f=-0.027) USER MOD Single : A 27 SER OG : rot 24:sc= 1.29 USER MOD Single : A 29 SER OG : rot -90:sc= 1.06 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 37 MET CE :methyl -158:sc= 0 (180deg=-0.115) USER MOD Single : A 42 MET CE :methyl 140:sc= -0.0631 (180deg=-1.24) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -138:sc= -0.543 (180deg=-1.71) USER MOD Single : A 52 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.1!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -134:sc= -0.685 (180deg=-2.82) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 61 HIS : no HD1:sc= -0.0013 X(o=-0.0013,f=0) USER MOD Single : A 66 MET CE :methyl -133:sc= -0.3 (180deg=-0.882) USER MOD Single : A 70 MET CE :methyl 167:sc= -0.022 (180deg=-0.241) USER MOD Single : A 80 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.19 K(o=1.2,f=-0.063) USER MOD Single : A 92 THR OG1 : rot 70:sc= 0.438 USER MOD Single : A 100 SER OG : rot -81:sc= 1.2 USER MOD Single : A 101 MET CE :methyl -150:sc= -0.176 (180deg=-1.57) USER MOD Single : A 102 MET CE :methyl -161:sc= -0.484 (180deg=-1.44!) USER MOD Single : A 103 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 105 THR OG1 : rot -35:sc= 0.348 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN :FLIP amide:sc= -0.0811 F(o=-1.4!,f=-0.081) USER MOD Single : A 113 THR OG1 : rot 163:sc= 1.4 USER MOD Single : A 114 ASN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 117 MET CE :methyl -134:sc= -0.1 (180deg=-0.326) USER MOD Single : A 122 MET CE :methyl 166:sc= -1.4 (180deg=-1.83) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.812 8.255 -3.334 1.00 0.00 N ATOM 82 CA ILE A 8 8.173 9.383 -2.657 1.00 0.00 C ATOM 83 C ILE A 8 7.476 10.334 -3.639 1.00 0.00 C ATOM 84 O ILE A 8 6.518 11.015 -3.280 1.00 0.00 O ATOM 85 CB ILE A 8 9.221 10.169 -1.827 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.581 11.333 -1.067 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.345 10.677 -2.716 1.00 0.00 C ATOM 88 CD1 ILE A 8 7.708 10.900 0.090 1.00 0.00 C ATOM 0 HA ILE A 8 7.409 8.971 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 8 9.638 9.478 -1.094 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.369 11.986 -0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.982 11.923 -1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.068 11.225 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.840 9.832 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.935 11.338 -3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.290 11.780 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.898 10.272 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.306 10.336 0.806 1.00 0.00 H new ATOM 100 N TRP A 9 7.936 10.352 -4.886 1.00 0.00 N ATOM 101 CA TRP A 9 7.429 11.304 -5.873 1.00 0.00 C ATOM 102 C TRP A 9 6.087 10.859 -6.460 1.00 0.00 C ATOM 103 O TRP A 9 5.674 11.341 -7.512 1.00 0.00 O ATOM 104 CB TRP A 9 8.447 11.497 -7.000 1.00 0.00 C ATOM 105 CG TRP A 9 9.812 11.902 -6.526 1.00 0.00 C ATOM 106 CD1 TRP A 9 10.899 11.091 -6.389 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.236 13.213 -6.124 1.00 0.00 C ATOM 108 NE1 TRP A 9 11.973 11.812 -5.933 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.592 13.117 -5.760 1.00 0.00 C ATOM 110 CE3 TRP A 9 9.604 14.458 -6.039 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.328 14.218 -5.322 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.333 15.547 -5.597 1.00 0.00 C ATOM 113 CH2 TRP A 9 11.682 15.421 -5.244 1.00 0.00 C ATOM 0 H TRP A 9 8.656 9.721 -5.238 1.00 0.00 H new ATOM 0 HA TRP A 9 7.272 12.251 -5.357 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.530 10.568 -7.564 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.073 12.255 -7.688 1.00 0.00 H new ATOM 0 HD1 TRP A 9 10.913 10.034 -6.608 1.00 0.00 H new ATOM 0 HE1 TRP A 9 12.904 11.438 -5.752 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.565 14.567 -6.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.370 14.124 -5.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.853 16.512 -5.523 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.223 16.291 -4.903 1.00 0.00 H new ATOM 124 N THR A 10 5.405 9.952 -5.778 1.00 0.00 N ATOM 125 CA THR A 10 4.086 9.514 -6.209 1.00 0.00 C ATOM 126 C THR A 10 3.006 10.398 -5.600 1.00 0.00 C ATOM 127 O THR A 10 1.820 10.255 -5.900 1.00 0.00 O ATOM 128 CB THR A 10 3.832 8.045 -5.828 1.00 0.00 C ATOM 129 OG1 THR A 10 4.235 7.812 -4.472 1.00 0.00 O ATOM 130 CG2 THR A 10 4.585 7.113 -6.764 1.00 0.00 C ATOM 0 H THR A 10 5.742 9.505 -4.925 1.00 0.00 H new ATOM 0 HA THR A 10 4.049 9.598 -7.295 1.00 0.00 H new ATOM 0 HB THR A 10 2.765 7.842 -5.922 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.068 6.875 -4.238 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.393 6.078 -6.479 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.248 7.276 -7.788 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.654 7.316 -6.697 1.00 0.00 H new ATOM 138 N ASN A 11 3.429 11.313 -4.741 1.00 0.00 N ATOM 139 CA ASN A 11 2.521 12.257 -4.118 1.00 0.00 C ATOM 140 C ASN A 11 3.205 13.608 -3.962 1.00 0.00 C ATOM 141 O ASN A 11 4.192 13.735 -3.234 1.00 0.00 O ATOM 142 CB ASN A 11 2.052 11.749 -2.754 1.00 0.00 C ATOM 143 CG ASN A 11 1.005 12.659 -2.136 1.00 0.00 C ATOM 144 OD1 ASN A 11 1.332 13.644 -1.478 1.00 0.00 O ATOM 145 ND2 ASN A 11 -0.260 12.328 -2.334 1.00 0.00 N ATOM 0 H ASN A 11 4.404 11.420 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 11 1.647 12.366 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.641 10.745 -2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.907 11.672 -2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.005 12.899 -1.934 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.491 11.502 -2.887 1.00 0.00 H new ATOM 152 N PRO A 12 2.691 14.626 -4.663 1.00 0.00 N ATOM 153 CA PRO A 12 3.250 15.981 -4.641 1.00 0.00 C ATOM 154 C PRO A 12 3.457 16.528 -3.231 1.00 0.00 C ATOM 155 O PRO A 12 4.558 16.958 -2.875 1.00 0.00 O ATOM 156 CB PRO A 12 2.197 16.813 -5.380 1.00 0.00 C ATOM 157 CG PRO A 12 1.504 15.846 -6.275 1.00 0.00 C ATOM 158 CD PRO A 12 1.524 14.525 -5.558 1.00 0.00 C ATOM 0 HA PRO A 12 4.241 16.005 -5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.499 17.276 -4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.659 17.618 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.481 16.165 -6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.010 15.774 -7.238 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.604 14.360 -4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.626 13.693 -6.255 1.00 0.00 H new ATOM 166 N ASN A 13 2.402 16.499 -2.428 1.00 0.00 N ATOM 167 CA ASN A 13 2.454 17.051 -1.079 1.00 0.00 C ATOM 168 C ASN A 13 3.468 16.296 -0.228 1.00 0.00 C ATOM 169 O ASN A 13 4.207 16.897 0.554 1.00 0.00 O ATOM 170 CB ASN A 13 1.073 16.995 -0.420 1.00 0.00 C ATOM 171 CG ASN A 13 1.043 17.680 0.936 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.748 18.665 1.168 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.230 17.159 1.840 1.00 0.00 N ATOM 0 H ASN A 13 1.500 16.100 -2.686 1.00 0.00 H new ATOM 0 HA ASN A 13 2.765 18.093 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.342 17.466 -1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.772 15.954 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.169 17.573 2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.336 16.343 1.607 1.00 0.00 H new ATOM 180 N ALA A 14 3.520 14.982 -0.412 1.00 0.00 N ATOM 181 CA ALA A 14 4.428 14.133 0.352 1.00 0.00 C ATOM 182 C ALA A 14 5.872 14.435 -0.005 1.00 0.00 C ATOM 183 O ALA A 14 6.740 14.503 0.869 1.00 0.00 O ATOM 184 CB ALA A 14 4.127 12.667 0.102 1.00 0.00 C ATOM 0 H ALA A 14 2.942 14.479 -1.086 1.00 0.00 H new ATOM 0 HA ALA A 14 4.278 14.345 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.815 12.051 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.103 12.449 0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.247 12.447 -0.959 1.00 0.00 H new ATOM 190 N ALA A 15 6.123 14.615 -1.294 1.00 0.00 N ATOM 191 CA ALA A 15 7.448 14.967 -1.773 1.00 0.00 C ATOM 192 C ALA A 15 7.890 16.289 -1.168 1.00 0.00 C ATOM 193 O ALA A 15 8.995 16.406 -0.645 1.00 0.00 O ATOM 194 CB ALA A 15 7.461 15.040 -3.291 1.00 0.00 C ATOM 0 H ALA A 15 5.421 14.522 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 15 8.150 14.193 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.461 15.305 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.180 14.071 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.751 15.796 -3.625 1.00 0.00 H new ATOM 200 N MET A 16 7.002 17.273 -1.211 1.00 0.00 N ATOM 201 CA MET A 16 7.287 18.583 -0.646 1.00 0.00 C ATOM 202 C MET A 16 7.487 18.504 0.865 1.00 0.00 C ATOM 203 O MET A 16 8.252 19.282 1.436 1.00 0.00 O ATOM 204 CB MET A 16 6.155 19.549 -0.981 1.00 0.00 C ATOM 205 CG MET A 16 6.554 20.688 -1.901 1.00 0.00 C ATOM 206 SD MET A 16 7.798 21.794 -1.195 1.00 0.00 S ATOM 207 CE MET A 16 9.308 21.141 -1.907 1.00 0.00 C ATOM 0 H MET A 16 6.077 17.188 -1.632 1.00 0.00 H new ATOM 0 HA MET A 16 8.215 18.950 -1.085 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.343 18.990 -1.446 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.764 19.967 -0.053 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.937 20.273 -2.833 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.666 21.268 -2.152 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.144 21.346 -1.238 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.209 20.064 -2.045 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.490 21.615 -2.872 1.00 0.00 H new ATOM 217 N THR A 17 6.806 17.557 1.504 1.00 0.00 N ATOM 218 CA THR A 17 6.930 17.359 2.943 1.00 0.00 C ATOM 219 C THR A 17 8.375 17.051 3.332 1.00 0.00 C ATOM 220 O THR A 17 8.948 17.719 4.192 1.00 0.00 O ATOM 221 CB THR A 17 6.018 16.215 3.437 1.00 0.00 C ATOM 222 OG1 THR A 17 4.648 16.516 3.141 1.00 0.00 O ATOM 223 CG2 THR A 17 6.177 15.985 4.938 1.00 0.00 C ATOM 0 H THR A 17 6.161 16.913 1.045 1.00 0.00 H new ATOM 0 HA THR A 17 6.619 18.289 3.419 1.00 0.00 H new ATOM 0 HB THR A 17 6.315 15.304 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.540 16.633 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.521 15.173 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.212 15.722 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.912 16.895 5.476 1.00 0.00 H new ATOM 231 N MET A 18 8.974 16.059 2.678 1.00 0.00 N ATOM 232 CA MET A 18 10.325 15.643 3.034 1.00 0.00 C ATOM 233 C MET A 18 11.350 16.712 2.661 1.00 0.00 C ATOM 234 O MET A 18 12.355 16.879 3.354 1.00 0.00 O ATOM 235 CB MET A 18 10.676 14.274 2.424 1.00 0.00 C ATOM 236 CG MET A 18 10.535 14.164 0.914 1.00 0.00 C ATOM 237 SD MET A 18 11.903 14.912 0.010 1.00 0.00 S ATOM 238 CE MET A 18 11.499 14.406 -1.656 1.00 0.00 C ATOM 0 H MET A 18 8.552 15.536 1.911 1.00 0.00 H new ATOM 0 HA MET A 18 10.359 15.526 4.117 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.704 14.031 2.692 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.040 13.519 2.885 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.460 13.112 0.639 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.604 14.640 0.608 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.417 14.209 -2.209 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.893 13.500 -1.624 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.939 15.199 -2.152 1.00 0.00 H new ATOM 248 N THR A 19 11.079 17.461 1.598 1.00 0.00 N ATOM 249 CA THR A 19 11.946 18.562 1.212 1.00 0.00 C ATOM 250 C THR A 19 11.953 19.642 2.297 1.00 0.00 C ATOM 251 O THR A 19 13.010 20.133 2.698 1.00 0.00 O ATOM 252 CB THR A 19 11.490 19.181 -0.119 1.00 0.00 C ATOM 253 OG1 THR A 19 11.192 18.148 -1.064 1.00 0.00 O ATOM 254 CG2 THR A 19 12.563 20.094 -0.693 1.00 0.00 C ATOM 0 H THR A 19 10.269 17.325 0.993 1.00 0.00 H new ATOM 0 HA THR A 19 12.953 18.164 1.089 1.00 0.00 H new ATOM 0 HB THR A 19 10.595 19.772 0.074 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.323 17.750 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.214 20.518 -1.634 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.772 20.898 0.012 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.473 19.520 -0.869 1.00 0.00 H new ATOM 262 N ASN A 20 10.763 19.991 2.785 1.00 0.00 N ATOM 263 CA ASN A 20 10.635 20.985 3.845 1.00 0.00 C ATOM 264 C ASN A 20 11.204 20.456 5.151 1.00 0.00 C ATOM 265 O ASN A 20 11.788 21.208 5.931 1.00 0.00 O ATOM 266 CB ASN A 20 9.175 21.403 4.041 1.00 0.00 C ATOM 267 CG ASN A 20 8.731 22.451 3.041 1.00 0.00 C ATOM 268 OD1 ASN A 20 8.901 23.648 3.266 1.00 0.00 O ATOM 269 ND2 ASN A 20 8.156 22.014 1.934 1.00 0.00 N ATOM 0 H ASN A 20 9.877 19.600 2.463 1.00 0.00 H new ATOM 0 HA ASN A 20 11.205 21.863 3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.534 20.526 3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.044 21.791 5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.835 22.678 1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.033 21.013 1.784 1.00 0.00 H new ATOM 276 N ASN A 21 11.042 19.157 5.381 1.00 0.00 N ATOM 277 CA ASN A 21 11.597 18.515 6.565 1.00 0.00 C ATOM 278 C ASN A 21 13.115 18.600 6.561 1.00 0.00 C ATOM 279 O ASN A 21 13.735 18.744 7.609 1.00 0.00 O ATOM 280 CB ASN A 21 11.185 17.052 6.647 1.00 0.00 C ATOM 281 CG ASN A 21 9.789 16.842 7.185 1.00 0.00 C ATOM 282 OD1 ASN A 21 9.290 17.632 7.985 1.00 0.00 O ATOM 283 ND2 ASN A 21 9.163 15.753 6.768 1.00 0.00 N ATOM 0 H ASN A 21 10.530 18.529 4.762 1.00 0.00 H new ATOM 0 HA ASN A 21 11.202 19.044 7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.252 16.609 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.893 16.520 7.282 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.226 15.540 7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.617 15.127 6.103 1.00 0.00 H new ATOM 290 N LEU A 22 13.708 18.499 5.379 1.00 0.00 N ATOM 291 CA LEU A 22 15.149 18.631 5.239 1.00 0.00 C ATOM 292 C LEU A 22 15.577 20.016 5.696 1.00 0.00 C ATOM 293 O LEU A 22 16.554 20.170 6.424 1.00 0.00 O ATOM 294 CB LEU A 22 15.582 18.400 3.788 1.00 0.00 C ATOM 295 CG LEU A 22 17.082 18.555 3.520 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.876 17.494 4.271 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.361 18.478 2.028 1.00 0.00 C ATOM 0 H LEU A 22 13.212 18.326 4.504 1.00 0.00 H new ATOM 0 HA LEU A 22 15.631 17.876 5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.278 17.396 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 22 15.041 19.099 3.149 1.00 0.00 H new ATOM 0 HG LEU A 22 17.399 19.533 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.939 17.622 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.697 17.596 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.561 16.504 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.431 18.590 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.029 17.513 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.824 19.276 1.516 1.00 0.00 H new ATOM 309 N VAL A 23 14.811 21.015 5.281 1.00 0.00 N ATOM 310 CA VAL A 23 15.062 22.394 5.668 1.00 0.00 C ATOM 311 C VAL A 23 14.911 22.571 7.178 1.00 0.00 C ATOM 312 O VAL A 23 15.802 23.105 7.839 1.00 0.00 O ATOM 313 CB VAL A 23 14.104 23.362 4.944 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.393 24.806 5.322 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.192 23.176 3.437 1.00 0.00 C ATOM 0 H VAL A 23 14.003 20.893 4.670 1.00 0.00 H new ATOM 0 HA VAL A 23 16.086 22.629 5.378 1.00 0.00 H new ATOM 0 HB VAL A 23 13.088 23.128 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.702 25.465 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.268 24.933 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.417 25.057 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.509 23.868 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.211 23.374 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.919 22.152 3.180 1.00 0.00 H new ATOM 325 N GLN A 24 13.795 22.097 7.724 1.00 0.00 N ATOM 326 CA GLN A 24 13.506 22.281 9.145 1.00 0.00 C ATOM 327 C GLN A 24 14.489 21.492 10.007 1.00 0.00 C ATOM 328 O GLN A 24 14.937 21.974 11.045 1.00 0.00 O ATOM 329 CB GLN A 24 12.046 21.909 9.469 1.00 0.00 C ATOM 330 CG GLN A 24 11.682 20.459 9.205 1.00 0.00 C ATOM 331 CD GLN A 24 11.642 19.599 10.453 1.00 0.00 C ATOM 332 OE1 GLN A 24 12.364 19.837 11.418 1.00 0.00 O ATOM 333 NE2 GLN A 24 10.791 18.585 10.438 1.00 0.00 N ATOM 0 H GLN A 24 13.079 21.585 7.209 1.00 0.00 H new ATOM 0 HA GLN A 24 13.633 23.338 9.381 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.854 22.131 10.519 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.385 22.547 8.882 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.707 20.422 8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.403 20.035 8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.208 18.420 9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.718 17.968 11.247 1.00 0.00 H new ATOM 342 N CYS A 25 14.852 20.298 9.556 1.00 0.00 N ATOM 343 CA CYS A 25 15.808 19.469 10.275 1.00 0.00 C ATOM 344 C CYS A 25 17.183 20.126 10.273 1.00 0.00 C ATOM 345 O CYS A 25 17.855 20.185 11.303 1.00 0.00 O ATOM 346 CB CYS A 25 15.887 18.073 9.651 1.00 0.00 C ATOM 347 SG CYS A 25 17.105 16.968 10.435 1.00 0.00 S ATOM 0 H CYS A 25 14.498 19.883 8.694 1.00 0.00 H new ATOM 0 HA CYS A 25 15.469 19.367 11.306 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.903 17.607 9.706 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.133 18.174 8.594 1.00 0.00 H new ATOM 352 N ALA A 26 17.587 20.651 9.121 1.00 0.00 N ATOM 353 CA ALA A 26 18.878 21.307 9.000 1.00 0.00 C ATOM 354 C ALA A 26 18.891 22.631 9.761 1.00 0.00 C ATOM 355 O ALA A 26 19.938 23.085 10.219 1.00 0.00 O ATOM 356 CB ALA A 26 19.232 21.520 7.536 1.00 0.00 C ATOM 0 H ALA A 26 17.038 20.634 8.261 1.00 0.00 H new ATOM 0 HA ALA A 26 19.633 20.659 9.444 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.202 22.012 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.276 20.556 7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.472 22.144 7.065 1.00 0.00 H new ATOM 362 N SER A 27 17.724 23.243 9.905 1.00 0.00 N ATOM 363 CA SER A 27 17.606 24.492 10.641 1.00 0.00 C ATOM 364 C SER A 27 17.671 24.231 12.144 1.00 0.00 C ATOM 365 O SER A 27 18.099 25.085 12.919 1.00 0.00 O ATOM 366 CB SER A 27 16.296 25.200 10.286 1.00 0.00 C ATOM 367 OG SER A 27 16.302 26.548 10.726 1.00 0.00 O ATOM 0 H SER A 27 16.846 22.894 9.521 1.00 0.00 H new ATOM 0 HA SER A 27 18.439 25.137 10.361 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.144 25.168 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.459 24.670 10.741 1.00 0.00 H new ATOM 0 HG SER A 27 17.227 26.858 10.819 1.00 0.00 H new ATOM 373 N ARG A 28 17.259 23.037 12.545 1.00 0.00 N ATOM 374 CA ARG A 28 17.237 22.668 13.953 1.00 0.00 C ATOM 375 C ARG A 28 18.420 21.771 14.292 1.00 0.00 C ATOM 376 O ARG A 28 18.479 21.185 15.372 1.00 0.00 O ATOM 377 CB ARG A 28 15.934 21.942 14.287 1.00 0.00 C ATOM 378 CG ARG A 28 14.671 22.770 14.085 1.00 0.00 C ATOM 379 CD ARG A 28 14.494 23.847 15.147 1.00 0.00 C ATOM 380 NE ARG A 28 15.322 25.031 14.909 1.00 0.00 N ATOM 381 CZ ARG A 28 14.833 26.266 14.766 1.00 0.00 C ATOM 382 NH1 ARG A 28 13.524 26.488 14.856 1.00 0.00 N ATOM 383 NH2 ARG A 28 15.654 27.286 14.555 1.00 0.00 N ATOM 0 H ARG A 28 16.934 22.305 11.913 1.00 0.00 H new ATOM 0 HA ARG A 28 17.305 23.580 14.545 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.866 21.045 13.671 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.974 21.613 15.325 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.703 23.238 13.101 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.804 22.110 14.096 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.446 24.145 15.182 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.740 23.430 16.123 1.00 0.00 H new ATOM 0 HE ARG A 28 16.332 24.905 14.849 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.886 25.712 15.035 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.158 27.434 14.746 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.660 27.128 14.502 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.279 28.228 14.446 1.00 0.00 H new ATOM 397 N SER A 29 19.365 21.673 13.369 1.00 0.00 N ATOM 398 CA SER A 29 20.505 20.791 13.540 1.00 0.00 C ATOM 399 C SER A 29 21.444 21.319 14.618 1.00 0.00 C ATOM 400 O SER A 29 21.666 20.671 15.639 1.00 0.00 O ATOM 401 CB SER A 29 21.254 20.642 12.215 1.00 0.00 C ATOM 402 OG SER A 29 21.711 21.899 11.735 1.00 0.00 O ATOM 0 H SER A 29 19.363 22.195 12.493 1.00 0.00 H new ATOM 0 HA SER A 29 20.139 19.814 13.856 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.103 19.971 12.348 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.599 20.184 11.474 1.00 0.00 H new ATOM 0 HG SER A 29 21.025 22.299 11.160 1.00 0.00 H new ATOM 408 N GLY A 30 21.989 22.500 14.375 1.00 0.00 N ATOM 409 CA GLY A 30 22.931 23.095 15.295 1.00 0.00 C ATOM 410 C GLY A 30 24.332 23.061 14.729 1.00 0.00 C ATOM 411 O GLY A 30 25.270 23.596 15.319 1.00 0.00 O ATOM 0 H GLY A 30 21.792 23.062 13.547 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.643 24.126 15.501 1.00 0.00 H new ATOM 0 HA3 GLY A 30 22.905 22.561 16.245 1.00 0.00 H new ATOM 415 N VAL A 31 24.471 22.424 13.571 1.00 0.00 N ATOM 416 CA VAL A 31 25.765 22.311 12.919 1.00 0.00 C ATOM 417 C VAL A 31 25.916 23.374 11.835 1.00 0.00 C ATOM 418 O VAL A 31 27.020 23.845 11.559 1.00 0.00 O ATOM 419 CB VAL A 31 25.980 20.904 12.315 1.00 0.00 C ATOM 420 CG1 VAL A 31 25.161 20.693 11.051 1.00 0.00 C ATOM 421 CG2 VAL A 31 27.454 20.653 12.053 1.00 0.00 C ATOM 0 H VAL A 31 23.703 21.980 13.068 1.00 0.00 H new ATOM 0 HA VAL A 31 26.527 22.469 13.682 1.00 0.00 H new ATOM 0 HB VAL A 31 25.629 20.179 13.049 1.00 0.00 H new ATOM 0 HG11 VAL A 31 25.344 19.691 10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 31 24.101 20.805 11.281 1.00 0.00 H new ATOM 0 HG13 VAL A 31 25.450 21.431 10.303 1.00 0.00 H new ATOM 0 HG21 VAL A 31 27.584 19.658 11.628 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.831 21.398 11.353 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.007 20.723 12.990 1.00 0.00 H new ATOM 431 N LEU A 32 24.794 23.757 11.237 1.00 0.00 N ATOM 432 CA LEU A 32 24.790 24.802 10.224 1.00 0.00 C ATOM 433 C LEU A 32 24.719 26.160 10.891 1.00 0.00 C ATOM 434 O LEU A 32 24.634 26.259 12.116 1.00 0.00 O ATOM 435 CB LEU A 32 23.593 24.658 9.279 1.00 0.00 C ATOM 436 CG LEU A 32 23.418 23.293 8.623 1.00 0.00 C ATOM 437 CD1 LEU A 32 22.218 23.308 7.697 1.00 0.00 C ATOM 438 CD2 LEU A 32 24.660 22.884 7.854 1.00 0.00 C ATOM 0 H LEU A 32 23.876 23.359 11.437 1.00 0.00 H new ATOM 0 HA LEU A 32 25.709 24.708 9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.686 24.890 9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.684 25.408 8.493 1.00 0.00 H new ATOM 0 HG LEU A 32 23.255 22.561 9.414 1.00 0.00 H new ATOM 0 HD11 LEU A 32 22.103 22.328 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 32 21.321 23.547 8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.366 24.060 6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 32 24.501 21.906 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 32 24.863 23.618 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.509 22.833 8.535 1.00 0.00 H new ATOM 450 N THR A 33 24.739 27.201 10.088 1.00 0.00 N ATOM 451 CA THR A 33 24.551 28.542 10.600 1.00 0.00 C ATOM 452 C THR A 33 23.234 29.093 10.083 1.00 0.00 C ATOM 453 O THR A 33 22.662 28.548 9.136 1.00 0.00 O ATOM 454 CB THR A 33 25.723 29.479 10.221 1.00 0.00 C ATOM 455 OG1 THR A 33 25.504 30.795 10.742 1.00 0.00 O ATOM 456 CG2 THR A 33 25.912 29.555 8.716 1.00 0.00 C ATOM 0 H THR A 33 24.883 27.146 9.080 1.00 0.00 H new ATOM 0 HA THR A 33 24.528 28.493 11.689 1.00 0.00 H new ATOM 0 HB THR A 33 26.628 29.060 10.661 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.255 31.374 10.495 1.00 0.00 H new ATOM 0 HG21 THR A 33 26.743 30.222 8.487 1.00 0.00 H new ATOM 0 HG22 THR A 33 26.126 28.560 8.326 1.00 0.00 H new ATOM 0 HG23 THR A 33 25.002 29.938 8.254 1.00 0.00 H new ATOM 464 N ALA A 34 22.750 30.158 10.706 1.00 0.00 N ATOM 465 CA ALA A 34 21.476 30.756 10.326 1.00 0.00 C ATOM 466 C ALA A 34 21.500 31.177 8.864 1.00 0.00 C ATOM 467 O ALA A 34 20.483 31.127 8.176 1.00 0.00 O ATOM 468 CB ALA A 34 21.156 31.946 11.216 1.00 0.00 C ATOM 0 H ALA A 34 23.221 30.628 11.479 1.00 0.00 H new ATOM 0 HA ALA A 34 20.694 30.008 10.458 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.201 32.378 10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.096 31.618 12.254 1.00 0.00 H new ATOM 0 HB3 ALA A 34 21.941 32.696 11.117 1.00 0.00 H new ATOM 474 N ASP A 35 22.682 31.564 8.401 1.00 0.00 N ATOM 475 CA ASP A 35 22.885 31.974 7.015 1.00 0.00 C ATOM 476 C ASP A 35 22.591 30.819 6.061 1.00 0.00 C ATOM 477 O ASP A 35 21.877 30.977 5.072 1.00 0.00 O ATOM 478 CB ASP A 35 24.328 32.452 6.829 1.00 0.00 C ATOM 479 CG ASP A 35 24.619 32.915 5.418 1.00 0.00 C ATOM 480 OD1 ASP A 35 24.996 32.076 4.578 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.487 34.126 5.149 1.00 0.00 O ATOM 0 H ASP A 35 23.526 31.603 8.973 1.00 0.00 H new ATOM 0 HA ASP A 35 22.199 32.789 6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 35 24.527 33.269 7.522 1.00 0.00 H new ATOM 0 HB3 ASP A 35 25.010 31.642 7.088 1.00 0.00 H new ATOM 486 N GLN A 36 23.121 29.649 6.397 1.00 0.00 N ATOM 487 CA GLN A 36 22.972 28.459 5.569 1.00 0.00 C ATOM 488 C GLN A 36 21.531 27.969 5.572 1.00 0.00 C ATOM 489 O GLN A 36 21.055 27.387 4.597 1.00 0.00 O ATOM 490 CB GLN A 36 23.898 27.352 6.072 1.00 0.00 C ATOM 491 CG GLN A 36 25.366 27.612 5.784 1.00 0.00 C ATOM 492 CD GLN A 36 26.275 26.626 6.486 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.971 26.153 7.579 1.00 0.00 O ATOM 494 NE2 GLN A 36 27.394 26.310 5.858 1.00 0.00 N ATOM 0 H GLN A 36 23.664 29.499 7.247 1.00 0.00 H new ATOM 0 HA GLN A 36 23.243 28.720 4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 36 23.762 27.236 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.607 26.408 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.538 27.558 4.709 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.621 28.624 6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 36 27.606 26.727 4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 36 28.046 25.649 6.280 1.00 0.00 H new ATOM 503 N MET A 37 20.836 28.223 6.668 1.00 0.00 N ATOM 504 CA MET A 37 19.452 27.798 6.813 1.00 0.00 C ATOM 505 C MET A 37 18.546 28.584 5.872 1.00 0.00 C ATOM 506 O MET A 37 17.494 28.094 5.458 1.00 0.00 O ATOM 507 CB MET A 37 19.000 27.971 8.263 1.00 0.00 C ATOM 508 CG MET A 37 19.817 27.171 9.248 1.00 0.00 C ATOM 509 SD MET A 37 19.344 27.502 10.949 1.00 0.00 S ATOM 510 CE MET A 37 20.749 26.792 11.787 1.00 0.00 C ATOM 0 H MET A 37 21.209 28.724 7.475 1.00 0.00 H new ATOM 0 HA MET A 37 19.382 26.743 6.548 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.056 29.027 8.529 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.954 27.676 8.347 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.696 26.108 9.039 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.874 27.404 9.115 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.476 26.549 12.814 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.061 25.885 11.270 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.571 27.508 11.790 1.00 0.00 H new ATOM 520 N ASP A 38 18.965 29.794 5.517 1.00 0.00 N ATOM 521 CA ASP A 38 18.200 30.627 4.610 1.00 0.00 C ATOM 522 C ASP A 38 18.265 30.092 3.186 1.00 0.00 C ATOM 523 O ASP A 38 17.261 30.093 2.472 1.00 0.00 O ATOM 524 CB ASP A 38 18.707 32.067 4.657 1.00 0.00 C ATOM 525 CG ASP A 38 18.110 32.856 5.805 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.876 33.044 5.828 1.00 0.00 O ATOM 527 OD2 ASP A 38 18.871 33.306 6.686 1.00 0.00 O ATOM 0 H ASP A 38 19.833 30.216 5.847 1.00 0.00 H new ATOM 0 HA ASP A 38 17.159 30.608 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 38 19.793 32.063 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.468 32.564 3.716 1.00 0.00 H new ATOM 532 N ASP A 39 19.442 29.619 2.779 1.00 0.00 N ATOM 533 CA ASP A 39 19.619 29.067 1.434 1.00 0.00 C ATOM 534 C ASP A 39 18.789 27.804 1.257 1.00 0.00 C ATOM 535 O ASP A 39 18.360 27.476 0.149 1.00 0.00 O ATOM 536 CB ASP A 39 21.088 28.753 1.146 1.00 0.00 C ATOM 537 CG ASP A 39 21.942 29.993 1.010 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.813 30.702 -0.008 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.755 30.258 1.917 1.00 0.00 O ATOM 0 H ASP A 39 20.283 29.606 3.356 1.00 0.00 H new ATOM 0 HA ASP A 39 19.280 29.825 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.485 28.132 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.156 28.169 0.228 1.00 0.00 H new ATOM 544 N MET A 40 18.558 27.100 2.358 1.00 0.00 N ATOM 545 CA MET A 40 17.742 25.890 2.344 1.00 0.00 C ATOM 546 C MET A 40 16.328 26.201 1.859 1.00 0.00 C ATOM 547 O MET A 40 15.675 25.367 1.227 1.00 0.00 O ATOM 548 CB MET A 40 17.692 25.268 3.741 1.00 0.00 C ATOM 549 CG MET A 40 19.052 24.830 4.260 1.00 0.00 C ATOM 550 SD MET A 40 19.764 23.473 3.308 1.00 0.00 S ATOM 551 CE MET A 40 18.609 22.158 3.684 1.00 0.00 C ATOM 0 H MET A 40 18.926 27.347 3.277 1.00 0.00 H new ATOM 0 HA MET A 40 18.197 25.178 1.656 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.262 25.989 4.436 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.025 24.406 3.723 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.734 25.680 4.238 1.00 0.00 H new ATOM 0 HG3 MET A 40 18.956 24.525 5.302 1.00 0.00 H new ATOM 0 HE1 MET A 40 19.082 21.194 3.497 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.314 22.221 4.732 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.726 22.257 3.052 1.00 0.00 H new ATOM 561 N GLY A 41 15.871 27.418 2.142 1.00 0.00 N ATOM 562 CA GLY A 41 14.546 27.836 1.735 1.00 0.00 C ATOM 563 C GLY A 41 14.405 27.948 0.229 1.00 0.00 C ATOM 564 O GLY A 41 13.461 27.408 -0.351 1.00 0.00 O ATOM 0 H GLY A 41 16.402 28.125 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.813 27.123 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.318 28.800 2.190 1.00 0.00 H new ATOM 568 N MET A 42 15.348 28.637 -0.410 1.00 0.00 N ATOM 569 CA MET A 42 15.307 28.819 -1.859 1.00 0.00 C ATOM 570 C MET A 42 15.538 27.489 -2.573 1.00 0.00 C ATOM 571 O MET A 42 15.070 27.283 -3.694 1.00 0.00 O ATOM 572 CB MET A 42 16.337 29.861 -2.318 1.00 0.00 C ATOM 573 CG MET A 42 17.779 29.416 -2.158 1.00 0.00 C ATOM 574 SD MET A 42 18.969 30.693 -2.616 1.00 0.00 S ATOM 575 CE MET A 42 18.663 31.924 -1.350 1.00 0.00 C ATOM 0 H MET A 42 16.146 29.076 0.050 1.00 0.00 H new ATOM 0 HA MET A 42 14.316 29.188 -2.122 1.00 0.00 H new ATOM 0 HB2 MET A 42 16.155 30.099 -3.366 1.00 0.00 H new ATOM 0 HB3 MET A 42 16.186 30.780 -1.751 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.950 29.123 -1.122 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.950 28.531 -2.771 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.611 32.350 -1.020 1.00 0.00 H new ATOM 0 HE2 MET A 42 18.031 32.714 -1.756 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.161 31.457 -0.503 1.00 0.00 H new ATOM 585 N MET A 43 16.254 26.584 -1.912 1.00 0.00 N ATOM 586 CA MET A 43 16.478 25.250 -2.449 1.00 0.00 C ATOM 587 C MET A 43 15.146 24.515 -2.553 1.00 0.00 C ATOM 588 O MET A 43 14.775 24.026 -3.619 1.00 0.00 O ATOM 589 CB MET A 43 17.467 24.484 -1.556 1.00 0.00 C ATOM 590 CG MET A 43 17.790 23.067 -2.021 1.00 0.00 C ATOM 591 SD MET A 43 16.526 21.855 -1.578 1.00 0.00 S ATOM 592 CE MET A 43 16.529 21.991 0.208 1.00 0.00 C ATOM 0 H MET A 43 16.688 26.752 -1.004 1.00 0.00 H new ATOM 0 HA MET A 43 16.912 25.322 -3.446 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.396 25.052 -1.498 1.00 0.00 H new ATOM 0 HB3 MET A 43 17.059 24.435 -0.546 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.916 23.069 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.743 22.760 -1.589 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.008 21.136 0.639 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.557 22.009 0.570 1.00 0.00 H new ATOM 0 HE3 MET A 43 16.024 22.910 0.504 1.00 0.00 H new ATOM 602 N ALA A 44 14.410 24.489 -1.444 1.00 0.00 N ATOM 603 CA ALA A 44 13.105 23.838 -1.397 1.00 0.00 C ATOM 604 C ALA A 44 12.135 24.485 -2.381 1.00 0.00 C ATOM 605 O ALA A 44 11.319 23.800 -2.997 1.00 0.00 O ATOM 606 CB ALA A 44 12.541 23.887 0.017 1.00 0.00 C ATOM 0 H ALA A 44 14.698 24.914 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 44 13.234 22.795 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.567 23.398 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.220 23.373 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.432 24.926 0.329 1.00 0.00 H new ATOM 612 N ASP A 45 12.250 25.803 -2.524 1.00 0.00 N ATOM 613 CA ASP A 45 11.418 26.576 -3.452 1.00 0.00 C ATOM 614 C ASP A 45 11.499 26.003 -4.862 1.00 0.00 C ATOM 615 O ASP A 45 10.480 25.778 -5.517 1.00 0.00 O ATOM 616 CB ASP A 45 11.870 28.042 -3.458 1.00 0.00 C ATOM 617 CG ASP A 45 11.101 28.906 -4.446 1.00 0.00 C ATOM 618 OD1 ASP A 45 11.401 28.849 -5.655 1.00 0.00 O ATOM 619 OD2 ASP A 45 10.214 29.668 -4.012 1.00 0.00 O ATOM 0 H ASP A 45 12.920 26.368 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 45 10.383 26.516 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.752 28.455 -2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.932 28.086 -3.698 1.00 0.00 H new ATOM 624 N SER A 46 12.719 25.749 -5.307 1.00 0.00 N ATOM 625 CA SER A 46 12.959 25.228 -6.642 1.00 0.00 C ATOM 626 C SER A 46 12.473 23.782 -6.766 1.00 0.00 C ATOM 627 O SER A 46 12.021 23.359 -7.832 1.00 0.00 O ATOM 628 CB SER A 46 14.450 25.325 -6.970 1.00 0.00 C ATOM 629 OG SER A 46 14.754 24.749 -8.227 1.00 0.00 O ATOM 0 H SER A 46 13.565 25.897 -4.757 1.00 0.00 H new ATOM 0 HA SER A 46 12.395 25.827 -7.357 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.755 26.372 -6.967 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.026 24.823 -6.192 1.00 0.00 H new ATOM 0 HG SER A 46 15.390 24.013 -8.105 1.00 0.00 H new ATOM 635 N VAL A 47 12.552 23.034 -5.672 1.00 0.00 N ATOM 636 CA VAL A 47 12.170 21.626 -5.680 1.00 0.00 C ATOM 637 C VAL A 47 10.690 21.442 -6.006 1.00 0.00 C ATOM 638 O VAL A 47 10.343 20.652 -6.886 1.00 0.00 O ATOM 639 CB VAL A 47 12.483 20.938 -4.336 1.00 0.00 C ATOM 640 CG1 VAL A 47 12.020 19.486 -4.349 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.970 21.014 -4.033 1.00 0.00 C ATOM 0 H VAL A 47 12.877 23.378 -4.768 1.00 0.00 H new ATOM 0 HA VAL A 47 12.765 21.156 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 47 11.939 21.464 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.252 19.022 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.944 19.449 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.533 18.948 -5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.173 20.524 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.529 20.515 -4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.277 22.058 -3.976 1.00 0.00 H new ATOM 651 N ASN A 48 9.815 22.172 -5.315 1.00 0.00 N ATOM 652 CA ASN A 48 8.384 22.014 -5.538 1.00 0.00 C ATOM 653 C ASN A 48 8.003 22.435 -6.947 1.00 0.00 C ATOM 654 O ASN A 48 7.182 21.785 -7.583 1.00 0.00 O ATOM 655 CB ASN A 48 7.539 22.776 -4.508 1.00 0.00 C ATOM 656 CG ASN A 48 7.906 24.236 -4.356 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.692 24.541 -3.339 1.00 0.00 O flip ATOM 658 ND2 ASN A 48 7.452 25.088 -5.119 1.00 0.00 N flip ATOM 0 H ASN A 48 10.068 22.865 -4.610 1.00 0.00 H new ATOM 0 HA ASN A 48 8.166 20.953 -5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.489 22.706 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.639 22.286 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.848 24.810 -5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.679 26.072 -4.978 1.00 0.00 H new ATOM 665 N SER A 49 8.624 23.495 -7.442 1.00 0.00 N ATOM 666 CA SER A 49 8.355 23.980 -8.788 1.00 0.00 C ATOM 667 C SER A 49 8.619 22.879 -9.816 1.00 0.00 C ATOM 668 O SER A 49 7.826 22.659 -10.734 1.00 0.00 O ATOM 669 CB SER A 49 9.222 25.208 -9.078 1.00 0.00 C ATOM 670 OG SER A 49 8.916 25.775 -10.339 1.00 0.00 O ATOM 0 H SER A 49 9.320 24.037 -6.930 1.00 0.00 H new ATOM 0 HA SER A 49 7.305 24.265 -8.860 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.071 25.953 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.275 24.926 -9.051 1.00 0.00 H new ATOM 0 HG SER A 49 9.486 26.557 -10.493 1.00 0.00 H new ATOM 676 N GLN A 50 9.725 22.169 -9.637 1.00 0.00 N ATOM 677 CA GLN A 50 10.097 21.087 -10.537 1.00 0.00 C ATOM 678 C GLN A 50 9.212 19.862 -10.323 1.00 0.00 C ATOM 679 O GLN A 50 9.011 19.060 -11.235 1.00 0.00 O ATOM 680 CB GLN A 50 11.564 20.725 -10.333 1.00 0.00 C ATOM 681 CG GLN A 50 12.520 21.826 -10.758 1.00 0.00 C ATOM 682 CD GLN A 50 13.964 21.501 -10.442 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.658 20.875 -11.240 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.433 21.946 -9.287 1.00 0.00 N ATOM 0 H GLN A 50 10.382 22.325 -8.873 1.00 0.00 H new ATOM 0 HA GLN A 50 9.951 21.428 -11.562 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.731 20.495 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.789 19.820 -10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.417 21.997 -11.829 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.243 22.754 -10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.822 22.462 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.405 21.773 -9.031 1.00 0.00 H new ATOM 693 N MET A 51 8.679 19.735 -9.118 1.00 0.00 N ATOM 694 CA MET A 51 7.814 18.615 -8.768 1.00 0.00 C ATOM 695 C MET A 51 6.408 18.811 -9.337 1.00 0.00 C ATOM 696 O MET A 51 5.781 17.863 -9.803 1.00 0.00 O ATOM 697 CB MET A 51 7.784 18.446 -7.241 1.00 0.00 C ATOM 698 CG MET A 51 6.757 17.445 -6.729 1.00 0.00 C ATOM 699 SD MET A 51 5.170 18.213 -6.336 1.00 0.00 S ATOM 700 CE MET A 51 5.613 19.225 -4.923 1.00 0.00 C ATOM 0 H MET A 51 8.831 20.399 -8.359 1.00 0.00 H new ATOM 0 HA MET A 51 8.215 17.703 -9.211 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.773 18.135 -6.905 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.583 19.416 -6.786 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.605 16.670 -7.481 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.148 16.953 -5.839 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.833 19.153 -4.165 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.557 18.875 -4.506 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.718 20.263 -5.238 1.00 0.00 H new ATOM 710 N GLN A 52 5.920 20.046 -9.315 1.00 0.00 N ATOM 711 CA GLN A 52 4.614 20.361 -9.877 1.00 0.00 C ATOM 712 C GLN A 52 4.612 20.153 -11.384 1.00 0.00 C ATOM 713 O GLN A 52 3.622 19.691 -11.955 1.00 0.00 O ATOM 714 CB GLN A 52 4.249 21.798 -9.537 1.00 0.00 C ATOM 715 CG GLN A 52 4.268 22.051 -8.046 1.00 0.00 C ATOM 716 CD GLN A 52 4.358 23.515 -7.696 1.00 0.00 C ATOM 717 OE1 GLN A 52 4.896 24.325 -8.450 1.00 0.00 O ATOM 718 NE2 GLN A 52 3.864 23.852 -6.526 1.00 0.00 N ATOM 0 H GLN A 52 6.410 20.845 -8.914 1.00 0.00 H new ATOM 0 HA GLN A 52 3.871 19.690 -9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.948 22.475 -10.028 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.257 22.023 -9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.366 21.632 -7.601 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.115 21.525 -7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.427 23.145 -5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.918 24.820 -6.209 1.00 0.00 H new ATOM 727 N LYS A 53 5.733 20.468 -12.020 1.00 0.00 N ATOM 728 CA LYS A 53 5.860 20.294 -13.456 1.00 0.00 C ATOM 729 C LYS A 53 6.409 18.906 -13.791 1.00 0.00 C ATOM 730 O LYS A 53 6.932 18.674 -14.882 1.00 0.00 O ATOM 731 CB LYS A 53 6.741 21.390 -14.053 1.00 0.00 C ATOM 732 CG LYS A 53 8.204 21.327 -13.657 1.00 0.00 C ATOM 733 CD LYS A 53 8.998 22.369 -14.424 1.00 0.00 C ATOM 734 CE LYS A 53 10.441 22.464 -13.954 1.00 0.00 C ATOM 735 NZ LYS A 53 11.211 23.482 -14.720 1.00 0.00 N ATOM 0 H LYS A 53 6.564 20.844 -11.563 1.00 0.00 H new ATOM 0 HA LYS A 53 4.868 20.376 -13.900 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.672 21.338 -15.140 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.341 22.359 -13.754 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.306 21.497 -12.585 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.601 20.333 -13.861 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.981 22.125 -15.486 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.518 23.341 -14.312 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.461 22.716 -12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.921 21.491 -14.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.189 23.515 -14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.214 23.228 -15.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.768 24.415 -14.599 1.00 0.00 H new ATOM 749 N MET A 54 6.291 17.988 -12.841 1.00 0.00 N ATOM 750 CA MET A 54 6.637 16.596 -13.083 1.00 0.00 C ATOM 751 C MET A 54 5.505 15.913 -13.849 1.00 0.00 C ATOM 752 O MET A 54 5.745 15.103 -14.747 1.00 0.00 O ATOM 753 CB MET A 54 6.897 15.867 -11.765 1.00 0.00 C ATOM 754 CG MET A 54 7.385 14.442 -11.941 1.00 0.00 C ATOM 755 SD MET A 54 7.495 13.546 -10.383 1.00 0.00 S ATOM 756 CE MET A 54 8.798 14.457 -9.564 1.00 0.00 C ATOM 0 H MET A 54 5.958 18.183 -11.897 1.00 0.00 H new ATOM 0 HA MET A 54 7.549 16.559 -13.678 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.636 16.426 -11.191 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.978 15.857 -11.178 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.710 13.912 -12.613 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.365 14.454 -12.418 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.511 13.758 -9.127 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.309 15.092 -10.288 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.369 15.077 -8.777 1.00 0.00 H new ATOM 766 N GLY A 55 4.272 16.264 -13.497 1.00 0.00 N ATOM 767 CA GLY A 55 3.115 15.741 -14.202 1.00 0.00 C ATOM 768 C GLY A 55 2.365 14.684 -13.411 1.00 0.00 C ATOM 769 O GLY A 55 2.968 13.955 -12.625 1.00 0.00 O ATOM 0 H GLY A 55 4.053 16.904 -12.733 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.437 16.562 -14.435 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.438 15.315 -15.152 1.00 0.00 H new ATOM 773 N PRO A 56 1.035 14.588 -13.591 1.00 0.00 N ATOM 774 CA PRO A 56 0.218 13.550 -12.947 1.00 0.00 C ATOM 775 C PRO A 56 0.552 12.166 -13.482 1.00 0.00 C ATOM 776 O PRO A 56 0.592 11.961 -14.698 1.00 0.00 O ATOM 777 CB PRO A 56 -1.216 13.941 -13.313 1.00 0.00 C ATOM 778 CG PRO A 56 -1.080 14.741 -14.562 1.00 0.00 C ATOM 779 CD PRO A 56 0.223 15.479 -14.439 1.00 0.00 C ATOM 0 HA PRO A 56 0.387 13.496 -11.871 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.839 13.061 -13.472 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.683 14.523 -12.518 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.082 14.096 -15.441 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.913 15.435 -14.674 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.687 15.642 -15.412 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.089 16.459 -13.981 1.00 0.00 H new ATOM 787 N ASN A 57 0.777 11.220 -12.570 1.00 0.00 N ATOM 788 CA ASN A 57 1.271 9.892 -12.936 1.00 0.00 C ATOM 789 C ASN A 57 2.534 10.039 -13.779 1.00 0.00 C ATOM 790 O ASN A 57 2.545 9.748 -14.978 1.00 0.00 O ATOM 791 CB ASN A 57 0.212 9.085 -13.690 1.00 0.00 C ATOM 792 CG ASN A 57 -1.004 8.774 -12.841 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.028 7.785 -12.106 1.00 0.00 O ATOM 794 ND2 ASN A 57 -2.032 9.602 -12.954 1.00 0.00 N ATOM 0 H ASN A 57 0.625 11.349 -11.570 1.00 0.00 H new ATOM 0 HA ASN A 57 1.503 9.345 -12.022 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.100 9.641 -14.574 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.654 8.152 -14.040 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.885 9.432 -12.421 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.971 10.410 -13.574 1.00 0.00 H new ATOM 801 N PRO A 58 3.608 10.508 -13.142 1.00 0.00 N ATOM 802 CA PRO A 58 4.805 10.991 -13.834 1.00 0.00 C ATOM 803 C PRO A 58 5.641 9.889 -14.486 1.00 0.00 C ATOM 804 O PRO A 58 5.667 8.747 -14.020 1.00 0.00 O ATOM 805 CB PRO A 58 5.588 11.669 -12.714 1.00 0.00 C ATOM 806 CG PRO A 58 5.188 10.937 -11.481 1.00 0.00 C ATOM 807 CD PRO A 58 3.745 10.593 -11.674 1.00 0.00 C ATOM 0 HA PRO A 58 4.545 11.640 -14.670 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.663 11.602 -12.884 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.342 12.729 -12.643 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.791 10.039 -11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.329 11.555 -10.594 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.488 9.650 -11.191 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.090 11.356 -11.253 1.00 0.00 H new ATOM 815 N PRO A 59 6.329 10.229 -15.593 1.00 0.00 N ATOM 816 CA PRO A 59 7.239 9.311 -16.280 1.00 0.00 C ATOM 817 C PRO A 59 8.514 9.050 -15.479 1.00 0.00 C ATOM 818 O PRO A 59 8.964 9.906 -14.715 1.00 0.00 O ATOM 819 CB PRO A 59 7.587 10.031 -17.590 1.00 0.00 C ATOM 820 CG PRO A 59 6.654 11.192 -17.681 1.00 0.00 C ATOM 821 CD PRO A 59 6.254 11.528 -16.275 1.00 0.00 C ATOM 0 HA PRO A 59 6.776 8.335 -16.428 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.625 10.364 -17.589 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.467 9.366 -18.445 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.139 12.043 -18.160 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.781 10.942 -18.283 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.927 12.259 -15.827 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.250 11.950 -16.231 1.00 0.00 H new ATOM 829 N GLN A 60 9.099 7.879 -15.701 1.00 0.00 N ATOM 830 CA GLN A 60 10.272 7.406 -14.961 1.00 0.00 C ATOM 831 C GLN A 60 11.382 8.460 -14.876 1.00 0.00 C ATOM 832 O GLN A 60 11.812 8.831 -13.780 1.00 0.00 O ATOM 833 CB GLN A 60 10.811 6.144 -15.638 1.00 0.00 C ATOM 834 CG GLN A 60 12.048 5.557 -14.978 1.00 0.00 C ATOM 835 CD GLN A 60 12.647 4.425 -15.791 1.00 0.00 C ATOM 836 OE1 GLN A 60 11.940 3.717 -16.508 1.00 0.00 O ATOM 837 NE2 GLN A 60 13.953 4.245 -15.687 1.00 0.00 N ATOM 0 H GLN A 60 8.771 7.220 -16.408 1.00 0.00 H new ATOM 0 HA GLN A 60 9.956 7.194 -13.940 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.026 5.388 -15.648 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.044 6.375 -16.677 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.794 6.341 -14.845 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.789 5.191 -13.984 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.505 4.853 -15.082 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.408 3.498 -16.212 1.00 0.00 H new ATOM 846 N HIS A 61 11.836 8.944 -16.030 1.00 0.00 N ATOM 847 CA HIS A 61 12.972 9.867 -16.089 1.00 0.00 C ATOM 848 C HIS A 61 12.722 11.159 -15.309 1.00 0.00 C ATOM 849 O HIS A 61 13.664 11.815 -14.880 1.00 0.00 O ATOM 850 CB HIS A 61 13.347 10.191 -17.545 1.00 0.00 C ATOM 851 CG HIS A 61 12.270 10.881 -18.340 1.00 0.00 C ATOM 852 ND1 HIS A 61 11.412 10.215 -19.187 1.00 0.00 N ATOM 853 CD2 HIS A 61 11.937 12.193 -18.434 1.00 0.00 C ATOM 854 CE1 HIS A 61 10.599 11.082 -19.762 1.00 0.00 C ATOM 855 NE2 HIS A 61 10.896 12.290 -19.324 1.00 0.00 N ATOM 0 H HIS A 61 11.435 8.713 -16.939 1.00 0.00 H new ATOM 0 HA HIS A 61 13.808 9.356 -15.612 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.237 10.820 -17.544 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.614 9.263 -18.051 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.405 13.011 -17.906 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.821 10.842 -20.472 1.00 0.00 H new ATOM 0 HE2 HIS A 61 10.429 13.154 -19.601 1.00 0.00 H new ATOM 863 N ARG A 62 11.458 11.511 -15.107 1.00 0.00 N ATOM 864 CA ARG A 62 11.128 12.744 -14.402 1.00 0.00 C ATOM 865 C ARG A 62 11.436 12.624 -12.913 1.00 0.00 C ATOM 866 O ARG A 62 11.808 13.602 -12.274 1.00 0.00 O ATOM 867 CB ARG A 62 9.661 13.115 -14.624 1.00 0.00 C ATOM 868 CG ARG A 62 9.358 13.560 -16.047 1.00 0.00 C ATOM 869 CD ARG A 62 10.093 14.847 -16.395 1.00 0.00 C ATOM 870 NE ARG A 62 9.672 15.961 -15.549 1.00 0.00 N ATOM 871 CZ ARG A 62 10.498 16.679 -14.785 1.00 0.00 C ATOM 872 NH1 ARG A 62 11.801 16.417 -14.766 1.00 0.00 N ATOM 873 NH2 ARG A 62 10.024 17.670 -14.044 1.00 0.00 N ATOM 0 H ARG A 62 10.653 10.967 -15.417 1.00 0.00 H new ATOM 0 HA ARG A 62 11.749 13.542 -14.809 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.036 12.256 -14.379 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.388 13.915 -13.935 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.647 12.774 -16.745 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.284 13.710 -16.162 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.166 14.693 -16.285 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.912 15.097 -17.441 1.00 0.00 H new ATOM 0 HE ARG A 62 8.682 16.206 -15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.178 15.662 -15.339 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.424 16.971 -14.179 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.027 17.885 -14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.656 18.218 -13.461 1.00 0.00 H new ATOM 887 N LEU A 63 11.297 11.421 -12.373 1.00 0.00 N ATOM 888 CA LEU A 63 11.599 11.173 -10.965 1.00 0.00 C ATOM 889 C LEU A 63 13.088 10.926 -10.789 1.00 0.00 C ATOM 890 O LEU A 63 13.704 11.377 -9.821 1.00 0.00 O ATOM 891 CB LEU A 63 10.822 9.958 -10.438 1.00 0.00 C ATOM 892 CG LEU A 63 9.308 10.141 -10.277 1.00 0.00 C ATOM 893 CD1 LEU A 63 8.635 10.340 -11.620 1.00 0.00 C ATOM 894 CD2 LEU A 63 8.705 8.943 -9.564 1.00 0.00 C ATOM 0 H LEU A 63 10.977 10.600 -12.886 1.00 0.00 H new ATOM 0 HA LEU A 63 11.299 12.054 -10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.996 9.121 -11.114 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.238 9.679 -9.470 1.00 0.00 H new ATOM 0 HG LEU A 63 9.140 11.035 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.562 10.467 -11.474 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.043 11.228 -12.103 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.815 9.469 -12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.630 9.087 -9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.894 8.041 -10.145 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.158 8.841 -8.578 1.00 0.00 H new ATOM 906 N ARG A 64 13.662 10.221 -11.754 1.00 0.00 N ATOM 907 CA ARG A 64 15.058 9.819 -11.697 1.00 0.00 C ATOM 908 C ARG A 64 15.992 11.025 -11.826 1.00 0.00 C ATOM 909 O ARG A 64 17.165 10.951 -11.470 1.00 0.00 O ATOM 910 CB ARG A 64 15.336 8.799 -12.803 1.00 0.00 C ATOM 911 CG ARG A 64 16.698 8.132 -12.706 1.00 0.00 C ATOM 912 CD ARG A 64 16.805 6.975 -13.682 1.00 0.00 C ATOM 913 NE ARG A 64 18.107 6.316 -13.619 1.00 0.00 N ATOM 914 CZ ARG A 64 18.354 5.211 -12.912 1.00 0.00 C ATOM 915 NH1 ARG A 64 17.387 4.635 -12.203 1.00 0.00 N ATOM 916 NH2 ARG A 64 19.565 4.673 -12.924 1.00 0.00 N ATOM 0 H ARG A 64 13.174 9.913 -12.595 1.00 0.00 H new ATOM 0 HA ARG A 64 15.251 9.363 -10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.564 8.030 -12.775 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.255 9.296 -13.769 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.480 8.862 -12.914 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.860 7.772 -11.690 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.022 6.248 -13.468 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.633 7.340 -14.695 1.00 0.00 H new ATOM 0 HE ARG A 64 18.876 6.726 -14.149 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.450 5.038 -12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.583 3.791 -11.665 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.309 5.103 -13.474 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.753 3.829 -12.384 1.00 0.00 H new ATOM 930 N ALA A 65 15.463 12.138 -12.315 1.00 0.00 N ATOM 931 CA ALA A 65 16.255 13.349 -12.476 1.00 0.00 C ATOM 932 C ALA A 65 16.091 14.288 -11.282 1.00 0.00 C ATOM 933 O ALA A 65 16.846 15.250 -11.128 1.00 0.00 O ATOM 934 CB ALA A 65 15.869 14.063 -13.763 1.00 0.00 C ATOM 0 H ALA A 65 14.490 12.227 -12.607 1.00 0.00 H new ATOM 0 HA ALA A 65 17.304 13.057 -12.530 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.468 14.967 -13.871 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.049 13.404 -14.613 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.813 14.330 -13.728 1.00 0.00 H new ATOM 940 N MET A 66 15.123 13.995 -10.418 1.00 0.00 N ATOM 941 CA MET A 66 14.802 14.898 -9.313 1.00 0.00 C ATOM 942 C MET A 66 15.773 14.723 -8.159 1.00 0.00 C ATOM 943 O MET A 66 15.994 15.644 -7.372 1.00 0.00 O ATOM 944 CB MET A 66 13.366 14.693 -8.828 1.00 0.00 C ATOM 945 CG MET A 66 12.324 15.297 -9.753 1.00 0.00 C ATOM 946 SD MET A 66 12.522 17.079 -9.962 1.00 0.00 S ATOM 947 CE MET A 66 12.226 17.655 -8.291 1.00 0.00 C ATOM 0 H MET A 66 14.552 13.150 -10.459 1.00 0.00 H new ATOM 0 HA MET A 66 14.896 15.916 -9.691 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.174 13.625 -8.725 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.259 15.133 -7.836 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.386 14.813 -10.727 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.330 15.091 -9.357 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.533 18.496 -8.314 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.796 16.847 -7.698 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.168 17.972 -7.843 1.00 0.00 H new ATOM 957 N ASN A 67 16.369 13.545 -8.075 1.00 0.00 N ATOM 958 CA ASN A 67 17.351 13.260 -7.041 1.00 0.00 C ATOM 959 C ASN A 67 18.610 14.090 -7.260 1.00 0.00 C ATOM 960 O ASN A 67 19.346 14.380 -6.322 1.00 0.00 O ATOM 961 CB ASN A 67 17.677 11.760 -7.007 1.00 0.00 C ATOM 962 CG ASN A 67 18.132 11.211 -8.350 1.00 0.00 C ATOM 963 OD1 ASN A 67 18.974 11.792 -9.032 1.00 0.00 O ATOM 964 ND2 ASN A 67 17.543 10.101 -8.760 1.00 0.00 N ATOM 0 H ASN A 67 16.190 12.769 -8.712 1.00 0.00 H new ATOM 0 HA ASN A 67 16.929 13.534 -6.074 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.457 11.582 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.794 11.211 -6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.783 9.701 -9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.848 9.644 -8.169 1.00 0.00 H new ATOM 971 N THR A 68 18.832 14.486 -8.504 1.00 0.00 N ATOM 972 CA THR A 68 19.965 15.320 -8.849 1.00 0.00 C ATOM 973 C THR A 68 19.590 16.793 -8.726 1.00 0.00 C ATOM 974 O THR A 68 20.387 17.610 -8.269 1.00 0.00 O ATOM 975 CB THR A 68 20.448 15.015 -10.281 1.00 0.00 C ATOM 976 OG1 THR A 68 20.643 13.599 -10.436 1.00 0.00 O ATOM 977 CG2 THR A 68 21.750 15.742 -10.588 1.00 0.00 C ATOM 0 H THR A 68 18.236 14.239 -9.294 1.00 0.00 H new ATOM 0 HA THR A 68 20.777 15.101 -8.156 1.00 0.00 H new ATOM 0 HB THR A 68 19.686 15.363 -10.978 1.00 0.00 H new ATOM 0 HG1 THR A 68 19.932 13.117 -9.963 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.066 15.508 -11.604 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.597 16.817 -10.494 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.520 15.422 -9.886 1.00 0.00 H new ATOM 985 N ALA A 69 18.356 17.112 -9.106 1.00 0.00 N ATOM 986 CA ALA A 69 17.854 18.481 -9.050 1.00 0.00 C ATOM 987 C ALA A 69 17.972 19.063 -7.642 1.00 0.00 C ATOM 988 O ALA A 69 18.558 20.129 -7.451 1.00 0.00 O ATOM 989 CB ALA A 69 16.408 18.525 -9.519 1.00 0.00 C ATOM 0 H ALA A 69 17.680 16.434 -9.459 1.00 0.00 H new ATOM 0 HA ALA A 69 18.466 19.092 -9.714 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.042 19.551 -9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.347 18.163 -10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.797 17.893 -8.875 1.00 0.00 H new ATOM 995 N MET A 70 17.429 18.349 -6.662 1.00 0.00 N ATOM 996 CA MET A 70 17.450 18.812 -5.277 1.00 0.00 C ATOM 997 C MET A 70 18.873 18.813 -4.733 1.00 0.00 C ATOM 998 O MET A 70 19.303 19.762 -4.075 1.00 0.00 O ATOM 999 CB MET A 70 16.560 17.921 -4.408 1.00 0.00 C ATOM 1000 CG MET A 70 16.419 18.417 -2.976 1.00 0.00 C ATOM 1001 SD MET A 70 15.200 17.485 -2.024 1.00 0.00 S ATOM 1002 CE MET A 70 15.945 15.857 -2.001 1.00 0.00 C ATOM 0 H MET A 70 16.969 17.449 -6.799 1.00 0.00 H new ATOM 0 HA MET A 70 17.066 19.832 -5.251 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.571 17.857 -4.861 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.971 16.912 -4.396 1.00 0.00 H new ATOM 0 HG2 MET A 70 17.387 18.353 -2.478 1.00 0.00 H new ATOM 0 HG3 MET A 70 16.135 19.469 -2.988 1.00 0.00 H new ATOM 0 HE1 MET A 70 15.436 15.234 -1.265 1.00 0.00 H new ATOM 0 HE2 MET A 70 15.855 15.401 -2.987 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.999 15.943 -1.736 1.00 0.00 H new ATOM 1012 N ALA A 71 19.598 17.747 -5.035 1.00 0.00 N ATOM 1013 CA ALA A 71 20.964 17.576 -4.556 1.00 0.00 C ATOM 1014 C ALA A 71 21.883 18.686 -5.054 1.00 0.00 C ATOM 1015 O ALA A 71 22.765 19.145 -4.331 1.00 0.00 O ATOM 1016 CB ALA A 71 21.497 16.220 -4.983 1.00 0.00 C ATOM 0 H ALA A 71 19.260 16.979 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 71 20.945 17.632 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.518 16.100 -4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.869 15.434 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.487 16.151 -6.071 1.00 0.00 H new ATOM 1022 N ALA A 72 21.663 19.125 -6.286 1.00 0.00 N ATOM 1023 CA ALA A 72 22.499 20.152 -6.893 1.00 0.00 C ATOM 1024 C ALA A 72 22.365 21.486 -6.169 1.00 0.00 C ATOM 1025 O ALA A 72 23.339 22.225 -6.025 1.00 0.00 O ATOM 1026 CB ALA A 72 22.143 20.321 -8.361 1.00 0.00 C ATOM 0 H ALA A 72 20.911 18.785 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 72 23.536 19.826 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 72 22.775 21.091 -8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.301 19.378 -8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.097 20.615 -8.450 1.00 0.00 H new ATOM 1032 N GLU A 73 21.163 21.787 -5.706 1.00 0.00 N ATOM 1033 CA GLU A 73 20.897 23.072 -5.080 1.00 0.00 C ATOM 1034 C GLU A 73 21.138 23.029 -3.575 1.00 0.00 C ATOM 1035 O GLU A 73 21.421 24.052 -2.959 1.00 0.00 O ATOM 1036 CB GLU A 73 19.474 23.521 -5.394 1.00 0.00 C ATOM 1037 CG GLU A 73 19.237 23.714 -6.883 1.00 0.00 C ATOM 1038 CD GLU A 73 17.865 24.265 -7.195 1.00 0.00 C ATOM 1039 OE1 GLU A 73 17.651 25.477 -6.987 1.00 0.00 O ATOM 1040 OE2 GLU A 73 16.999 23.491 -7.655 1.00 0.00 O ATOM 0 H GLU A 73 20.358 21.162 -5.751 1.00 0.00 H new ATOM 0 HA GLU A 73 21.595 23.800 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.771 22.782 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.269 24.456 -4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.993 24.390 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 73 19.364 22.759 -7.392 1.00 0.00 H new ATOM 1047 N VAL A 74 21.038 21.848 -2.978 1.00 0.00 N ATOM 1048 CA VAL A 74 21.327 21.703 -1.554 1.00 0.00 C ATOM 1049 C VAL A 74 22.839 21.716 -1.333 1.00 0.00 C ATOM 1050 O VAL A 74 23.326 21.992 -0.237 1.00 0.00 O ATOM 1051 CB VAL A 74 20.725 20.405 -0.962 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.604 19.210 -1.251 1.00 0.00 C ATOM 1053 CG2 VAL A 74 20.480 20.554 0.533 1.00 0.00 C ATOM 0 H VAL A 74 20.763 20.986 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 74 20.863 22.544 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 74 19.764 20.232 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 74 21.154 18.315 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 74 21.705 19.085 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 74 22.588 19.367 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 74 20.057 19.630 0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 74 21.423 20.765 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.784 21.375 0.708 1.00 0.00 H new ATOM 1063 N ALA A 75 23.570 21.433 -2.407 1.00 0.00 N ATOM 1064 CA ALA A 75 25.023 21.390 -2.377 1.00 0.00 C ATOM 1065 C ALA A 75 25.616 22.760 -2.062 1.00 0.00 C ATOM 1066 O ALA A 75 26.753 22.857 -1.609 1.00 0.00 O ATOM 1067 CB ALA A 75 25.547 20.881 -3.710 1.00 0.00 C ATOM 0 H ALA A 75 23.169 21.227 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 75 25.329 20.709 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.636 20.850 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.159 19.879 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.222 21.549 -4.508 1.00 0.00 H new ATOM 1073 N GLU A 76 24.830 23.810 -2.283 1.00 0.00 N ATOM 1074 CA GLU A 76 25.291 25.177 -2.071 1.00 0.00 C ATOM 1075 C GLU A 76 25.746 25.400 -0.632 1.00 0.00 C ATOM 1076 O GLU A 76 26.846 25.897 -0.391 1.00 0.00 O ATOM 1077 CB GLU A 76 24.188 26.177 -2.427 1.00 0.00 C ATOM 1078 CG GLU A 76 23.803 26.160 -3.899 1.00 0.00 C ATOM 1079 CD GLU A 76 24.983 26.421 -4.808 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.444 27.581 -4.875 1.00 0.00 O ATOM 1081 OE2 GLU A 76 25.456 25.472 -5.463 1.00 0.00 O ATOM 0 H GLU A 76 23.867 23.739 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 76 26.147 25.337 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.305 25.960 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.518 27.180 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.365 25.193 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.036 26.913 -4.079 1.00 0.00 H new ATOM 1088 N VAL A 77 24.911 25.015 0.327 1.00 0.00 N ATOM 1089 CA VAL A 77 25.235 25.217 1.733 1.00 0.00 C ATOM 1090 C VAL A 77 26.403 24.330 2.152 1.00 0.00 C ATOM 1091 O VAL A 77 27.209 24.707 3.003 1.00 0.00 O ATOM 1092 CB VAL A 77 24.019 24.952 2.655 1.00 0.00 C ATOM 1093 CG1 VAL A 77 22.892 25.916 2.330 1.00 0.00 C ATOM 1094 CG2 VAL A 77 23.538 23.510 2.543 1.00 0.00 C ATOM 0 H VAL A 77 24.012 24.565 0.158 1.00 0.00 H new ATOM 0 HA VAL A 77 25.519 26.263 1.845 1.00 0.00 H new ATOM 0 HB VAL A 77 24.337 25.115 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 77 22.044 25.718 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.235 26.940 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 77 22.587 25.783 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 77 22.684 23.359 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 77 23.242 23.304 1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 77 24.343 22.834 2.831 1.00 0.00 H new ATOM 1104 N VAL A 78 26.512 23.171 1.518 1.00 0.00 N ATOM 1105 CA VAL A 78 27.562 22.217 1.842 1.00 0.00 C ATOM 1106 C VAL A 78 28.903 22.693 1.288 1.00 0.00 C ATOM 1107 O VAL A 78 29.928 22.614 1.962 1.00 0.00 O ATOM 1108 CB VAL A 78 27.231 20.815 1.279 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.251 19.784 1.735 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.827 20.395 1.686 1.00 0.00 C ATOM 0 H VAL A 78 25.884 22.868 0.774 1.00 0.00 H new ATOM 0 HA VAL A 78 27.628 22.147 2.928 1.00 0.00 H new ATOM 0 HB VAL A 78 27.276 20.871 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.992 18.809 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.242 20.073 1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.252 19.730 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.611 19.406 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.757 20.365 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 78 25.105 21.112 1.296 1.00 0.00 H new ATOM 1120 N ALA A 79 28.881 23.221 0.070 1.00 0.00 N ATOM 1121 CA ALA A 79 30.088 23.721 -0.574 1.00 0.00 C ATOM 1122 C ALA A 79 30.606 24.977 0.117 1.00 0.00 C ATOM 1123 O ALA A 79 31.773 25.336 -0.021 1.00 0.00 O ATOM 1124 CB ALA A 79 29.822 24.004 -2.045 1.00 0.00 C ATOM 0 H ALA A 79 28.036 23.314 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 79 30.855 22.951 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.732 24.377 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.508 23.086 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.035 24.752 -2.135 1.00 0.00 H new ATOM 1130 N THR A 80 29.731 25.642 0.860 1.00 0.00 N ATOM 1131 CA THR A 80 30.098 26.863 1.564 1.00 0.00 C ATOM 1132 C THR A 80 30.378 26.567 3.045 1.00 0.00 C ATOM 1133 O THR A 80 30.538 27.474 3.863 1.00 0.00 O ATOM 1134 CB THR A 80 28.981 27.919 1.428 1.00 0.00 C ATOM 1135 OG1 THR A 80 28.501 27.941 0.074 1.00 0.00 O ATOM 1136 CG2 THR A 80 29.484 29.311 1.792 1.00 0.00 C ATOM 0 H THR A 80 28.761 25.356 0.991 1.00 0.00 H new ATOM 0 HA THR A 80 31.008 27.260 1.114 1.00 0.00 H new ATOM 0 HB THR A 80 28.179 27.647 2.114 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.701 27.380 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.672 30.031 1.685 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.837 29.312 2.823 1.00 0.00 H new ATOM 0 HG23 THR A 80 30.303 29.587 1.128 1.00 0.00 H new ATOM 1144 N SER A 81 30.444 25.287 3.384 1.00 0.00 N ATOM 1145 CA SER A 81 30.757 24.878 4.746 1.00 0.00 C ATOM 1146 C SER A 81 32.262 24.678 4.907 1.00 0.00 C ATOM 1147 O SER A 81 32.903 24.071 4.048 1.00 0.00 O ATOM 1148 CB SER A 81 30.016 23.587 5.100 1.00 0.00 C ATOM 1149 OG SER A 81 28.615 23.792 5.131 1.00 0.00 O ATOM 0 H SER A 81 30.285 24.515 2.736 1.00 0.00 H new ATOM 0 HA SER A 81 30.432 25.666 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.257 22.814 4.370 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.355 23.225 6.071 1.00 0.00 H new ATOM 0 HG SER A 81 28.332 24.244 4.309 1.00 0.00 H new ATOM 1155 N PRO A 82 32.848 25.208 5.996 1.00 0.00 N ATOM 1156 CA PRO A 82 34.272 25.025 6.295 1.00 0.00 C ATOM 1157 C PRO A 82 34.654 23.548 6.329 1.00 0.00 C ATOM 1158 O PRO A 82 33.969 22.748 6.965 1.00 0.00 O ATOM 1159 CB PRO A 82 34.433 25.653 7.683 1.00 0.00 C ATOM 1160 CG PRO A 82 33.315 26.629 7.787 1.00 0.00 C ATOM 1161 CD PRO A 82 32.174 26.029 7.015 1.00 0.00 C ATOM 0 HA PRO A 82 34.914 25.477 5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 82 34.375 24.899 8.468 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.400 26.146 7.785 1.00 0.00 H new ATOM 0 HG2 PRO A 82 33.038 26.796 8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 82 33.601 27.596 7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 82 31.529 25.427 7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 82 31.547 26.797 6.562 1.00 0.00 H new ATOM 1169 N PRO A 83 35.746 23.174 5.636 1.00 0.00 N ATOM 1170 CA PRO A 83 36.209 21.780 5.529 1.00 0.00 C ATOM 1171 C PRO A 83 36.205 21.017 6.854 1.00 0.00 C ATOM 1172 O PRO A 83 35.897 19.828 6.887 1.00 0.00 O ATOM 1173 CB PRO A 83 37.634 21.938 5.009 1.00 0.00 C ATOM 1174 CG PRO A 83 37.579 23.168 4.174 1.00 0.00 C ATOM 1175 CD PRO A 83 36.610 24.091 4.863 1.00 0.00 C ATOM 0 HA PRO A 83 35.550 21.192 4.890 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.348 22.042 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 83 37.944 21.072 4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 83 38.564 23.628 4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.247 22.938 3.161 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.124 24.800 5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 83 36.034 24.675 4.146 1.00 0.00 H new ATOM 1183 N GLN A 84 36.532 21.704 7.942 1.00 0.00 N ATOM 1184 CA GLN A 84 36.578 21.074 9.258 1.00 0.00 C ATOM 1185 C GLN A 84 35.186 20.634 9.719 1.00 0.00 C ATOM 1186 O GLN A 84 35.036 19.605 10.378 1.00 0.00 O ATOM 1187 CB GLN A 84 37.179 22.033 10.282 1.00 0.00 C ATOM 1188 CG GLN A 84 38.598 22.465 9.954 1.00 0.00 C ATOM 1189 CD GLN A 84 39.177 23.388 11.006 1.00 0.00 C ATOM 1190 OE1 GLN A 84 38.453 24.145 11.653 1.00 0.00 O ATOM 1191 NE2 GLN A 84 40.485 23.328 11.184 1.00 0.00 N ATOM 0 H GLN A 84 36.769 22.696 7.940 1.00 0.00 H new ATOM 0 HA GLN A 84 37.206 20.187 9.177 1.00 0.00 H new ATOM 0 HB2 GLN A 84 36.546 22.918 10.353 1.00 0.00 H new ATOM 0 HB3 GLN A 84 37.171 21.556 11.262 1.00 0.00 H new ATOM 0 HG2 GLN A 84 39.231 21.583 9.860 1.00 0.00 H new ATOM 0 HG3 GLN A 84 38.608 22.969 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 84 41.047 22.686 10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 84 40.933 23.924 11.880 1.00 0.00 H new ATOM 1200 N SER A 85 34.176 21.413 9.363 1.00 0.00 N ATOM 1201 CA SER A 85 32.806 21.142 9.785 1.00 0.00 C ATOM 1202 C SER A 85 32.027 20.439 8.674 1.00 0.00 C ATOM 1203 O SER A 85 30.890 20.008 8.873 1.00 0.00 O ATOM 1204 CB SER A 85 32.117 22.457 10.156 1.00 0.00 C ATOM 1205 OG SER A 85 32.935 23.233 11.015 1.00 0.00 O ATOM 0 H SER A 85 34.278 22.243 8.779 1.00 0.00 H new ATOM 0 HA SER A 85 32.830 20.485 10.654 1.00 0.00 H new ATOM 0 HB2 SER A 85 31.894 23.023 9.251 1.00 0.00 H new ATOM 0 HB3 SER A 85 31.165 22.248 10.645 1.00 0.00 H new ATOM 0 HG SER A 85 32.475 24.069 11.237 1.00 0.00 H new ATOM 1211 N TYR A 86 32.667 20.310 7.518 1.00 0.00 N ATOM 1212 CA TYR A 86 32.047 19.737 6.326 1.00 0.00 C ATOM 1213 C TYR A 86 31.474 18.348 6.606 1.00 0.00 C ATOM 1214 O TYR A 86 30.326 18.058 6.264 1.00 0.00 O ATOM 1215 CB TYR A 86 33.091 19.669 5.204 1.00 0.00 C ATOM 1216 CG TYR A 86 32.564 19.172 3.878 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.430 17.813 3.633 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.216 20.060 2.869 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.962 17.351 2.423 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.747 19.604 1.650 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.621 18.246 1.433 1.00 0.00 C ATOM 1222 OH TYR A 86 31.153 17.782 0.226 1.00 0.00 O ATOM 0 H TYR A 86 33.635 20.601 7.379 1.00 0.00 H new ATOM 0 HA TYR A 86 31.217 20.375 6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.515 20.663 5.061 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.905 19.018 5.523 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.697 17.106 4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.313 21.122 3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.863 16.289 2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.481 20.306 0.873 1.00 0.00 H new ATOM 0 HH TYR A 86 31.878 17.795 -0.433 1.00 0.00 H new ATOM 1232 N SER A 87 32.274 17.497 7.237 1.00 0.00 N ATOM 1233 CA SER A 87 31.860 16.135 7.545 1.00 0.00 C ATOM 1234 C SER A 87 30.632 16.121 8.453 1.00 0.00 C ATOM 1235 O SER A 87 29.723 15.306 8.276 1.00 0.00 O ATOM 1236 CB SER A 87 33.020 15.392 8.205 1.00 0.00 C ATOM 1237 OG SER A 87 34.202 15.540 7.438 1.00 0.00 O ATOM 0 H SER A 87 33.218 17.729 7.547 1.00 0.00 H new ATOM 0 HA SER A 87 31.587 15.634 6.616 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.181 15.778 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.773 14.335 8.304 1.00 0.00 H new ATOM 0 HG SER A 87 34.937 15.060 7.874 1.00 0.00 H new ATOM 1243 N ALA A 88 30.594 17.047 9.402 1.00 0.00 N ATOM 1244 CA ALA A 88 29.481 17.139 10.340 1.00 0.00 C ATOM 1245 C ALA A 88 28.215 17.572 9.618 1.00 0.00 C ATOM 1246 O ALA A 88 27.112 17.119 9.935 1.00 0.00 O ATOM 1247 CB ALA A 88 29.818 18.102 11.467 1.00 0.00 C ATOM 0 H ALA A 88 31.322 17.747 9.543 1.00 0.00 H new ATOM 0 HA ALA A 88 29.306 16.154 10.774 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.978 18.160 12.159 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.701 17.746 11.998 1.00 0.00 H new ATOM 0 HB3 ALA A 88 30.017 19.091 11.053 1.00 0.00 H new ATOM 1253 N VAL A 89 28.391 18.438 8.632 1.00 0.00 N ATOM 1254 CA VAL A 89 27.288 18.892 7.805 1.00 0.00 C ATOM 1255 C VAL A 89 26.716 17.737 6.988 1.00 0.00 C ATOM 1256 O VAL A 89 25.502 17.541 6.948 1.00 0.00 O ATOM 1257 CB VAL A 89 27.734 20.037 6.871 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.641 20.390 5.872 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.124 21.257 7.692 1.00 0.00 C ATOM 0 H VAL A 89 29.295 18.842 8.385 1.00 0.00 H new ATOM 0 HA VAL A 89 26.508 19.271 8.465 1.00 0.00 H new ATOM 0 HB VAL A 89 28.603 19.699 6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.984 21.200 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.408 19.516 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.747 20.708 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.437 22.060 7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.269 21.588 8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.946 20.999 8.360 1.00 0.00 H new ATOM 1269 N LEU A 90 27.597 16.958 6.366 1.00 0.00 N ATOM 1270 CA LEU A 90 27.186 15.820 5.565 1.00 0.00 C ATOM 1271 C LEU A 90 26.405 14.805 6.394 1.00 0.00 C ATOM 1272 O LEU A 90 25.372 14.298 5.953 1.00 0.00 O ATOM 1273 CB LEU A 90 28.406 15.153 4.946 1.00 0.00 C ATOM 1274 CG LEU A 90 28.768 15.606 3.531 1.00 0.00 C ATOM 1275 CD1 LEU A 90 29.926 14.779 3.000 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.569 15.499 2.600 1.00 0.00 C ATOM 0 H LEU A 90 28.606 17.100 6.405 1.00 0.00 H new ATOM 0 HA LEU A 90 26.529 16.186 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.263 15.333 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.239 14.076 4.930 1.00 0.00 H new ATOM 0 HG LEU A 90 29.069 16.653 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 90 30.177 15.109 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 90 30.792 14.907 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 90 29.642 13.727 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.854 15.827 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 90 27.231 14.463 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 90 26.762 16.130 2.973 1.00 0.00 H new ATOM 1288 N ASN A 91 26.900 14.517 7.595 1.00 0.00 N ATOM 1289 CA ASN A 91 26.218 13.595 8.501 1.00 0.00 C ATOM 1290 C ASN A 91 24.820 14.098 8.826 1.00 0.00 C ATOM 1291 O ASN A 91 23.859 13.327 8.859 1.00 0.00 O ATOM 1292 CB ASN A 91 27.013 13.403 9.797 1.00 0.00 C ATOM 1293 CG ASN A 91 28.120 12.375 9.660 1.00 0.00 C ATOM 1294 OD1 ASN A 91 27.897 11.185 9.865 1.00 0.00 O ATOM 1295 ND2 ASN A 91 29.321 12.823 9.322 1.00 0.00 N ATOM 0 H ASN A 91 27.768 14.907 7.963 1.00 0.00 H new ATOM 0 HA ASN A 91 26.142 12.632 7.995 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.445 14.358 10.098 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.334 13.095 10.592 1.00 0.00 H new ATOM 0 HD21 ASN A 91 30.099 12.171 9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.467 13.819 9.160 1.00 0.00 H new ATOM 1302 N THR A 92 24.714 15.400 9.043 1.00 0.00 N ATOM 1303 CA THR A 92 23.439 16.025 9.352 1.00 0.00 C ATOM 1304 C THR A 92 22.483 15.943 8.160 1.00 0.00 C ATOM 1305 O THR A 92 21.342 15.496 8.300 1.00 0.00 O ATOM 1306 CB THR A 92 23.641 17.495 9.762 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.557 17.571 10.863 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.321 18.139 10.154 1.00 0.00 C ATOM 0 H THR A 92 25.502 16.047 9.010 1.00 0.00 H new ATOM 0 HA THR A 92 22.997 15.482 10.187 1.00 0.00 H new ATOM 0 HB THR A 92 24.048 18.034 8.906 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.457 17.331 10.557 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.493 19.177 10.439 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.634 18.104 9.309 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.888 17.598 10.996 1.00 0.00 H new ATOM 1316 N ILE A 93 22.960 16.364 6.987 1.00 0.00 N ATOM 1317 CA ILE A 93 22.172 16.281 5.758 1.00 0.00 C ATOM 1318 C ILE A 93 21.651 14.861 5.546 1.00 0.00 C ATOM 1319 O ILE A 93 20.465 14.657 5.283 1.00 0.00 O ATOM 1320 CB ILE A 93 22.996 16.709 4.519 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.493 18.152 4.666 1.00 0.00 C ATOM 1322 CG2 ILE A 93 22.176 16.558 3.244 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.385 19.177 4.801 1.00 0.00 C ATOM 0 H ILE A 93 23.889 16.766 6.863 1.00 0.00 H new ATOM 0 HA ILE A 93 21.333 16.967 5.871 1.00 0.00 H new ATOM 0 HB ILE A 93 23.863 16.052 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 93 24.140 18.215 5.541 1.00 0.00 H new ATOM 0 HG13 ILE A 93 24.104 18.405 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.776 16.865 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.878 15.516 3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.286 17.185 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.820 20.172 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.750 19.145 3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.787 18.952 5.684 1.00 0.00 H new ATOM 1335 N GLY A 94 22.545 13.888 5.698 1.00 0.00 N ATOM 1336 CA GLY A 94 22.180 12.492 5.519 1.00 0.00 C ATOM 1337 C GLY A 94 21.091 12.043 6.467 1.00 0.00 C ATOM 1338 O GLY A 94 20.118 11.405 6.058 1.00 0.00 O ATOM 0 H GLY A 94 23.523 14.043 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.848 12.337 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.062 11.869 5.666 1.00 0.00 H new ATOM 1342 N ALA A 95 21.252 12.389 7.731 1.00 0.00 N ATOM 1343 CA ALA A 95 20.287 12.027 8.757 1.00 0.00 C ATOM 1344 C ALA A 95 18.927 12.649 8.469 1.00 0.00 C ATOM 1345 O ALA A 95 17.896 11.972 8.519 1.00 0.00 O ATOM 1346 CB ALA A 95 20.782 12.458 10.127 1.00 0.00 C ATOM 0 H ALA A 95 22.049 12.925 8.075 1.00 0.00 H new ATOM 0 HA ALA A 95 20.176 10.943 8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.048 12.180 10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.730 11.965 10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 95 20.924 13.539 10.139 1.00 0.00 H new ATOM 1352 N CYS A 96 18.937 13.938 8.150 1.00 0.00 N ATOM 1353 CA CYS A 96 17.713 14.672 7.863 1.00 0.00 C ATOM 1354 C CYS A 96 17.002 14.107 6.638 1.00 0.00 C ATOM 1355 O CYS A 96 15.790 13.909 6.662 1.00 0.00 O ATOM 1356 CB CYS A 96 18.022 16.156 7.658 1.00 0.00 C ATOM 1357 SG CYS A 96 18.672 16.987 9.144 1.00 0.00 S ATOM 0 H CYS A 96 19.786 14.499 8.084 1.00 0.00 H new ATOM 0 HA CYS A 96 17.047 14.562 8.719 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.747 16.258 6.850 1.00 0.00 H new ATOM 0 HB3 CYS A 96 17.113 16.665 7.337 1.00 0.00 H new ATOM 1362 N LEU A 97 17.758 13.829 5.581 1.00 0.00 N ATOM 1363 CA LEU A 97 17.184 13.296 4.346 1.00 0.00 C ATOM 1364 C LEU A 97 16.548 11.928 4.612 1.00 0.00 C ATOM 1365 O LEU A 97 15.460 11.628 4.126 1.00 0.00 O ATOM 1366 CB LEU A 97 18.275 13.185 3.270 1.00 0.00 C ATOM 1367 CG LEU A 97 17.837 13.427 1.814 1.00 0.00 C ATOM 1368 CD1 LEU A 97 16.839 12.383 1.346 1.00 0.00 C ATOM 1369 CD2 LEU A 97 17.254 14.820 1.648 1.00 0.00 C ATOM 0 H LEU A 97 18.769 13.963 5.553 1.00 0.00 H new ATOM 0 HA LEU A 97 16.409 13.973 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 97 19.064 13.897 3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.714 12.189 3.332 1.00 0.00 H new ATOM 0 HG LEU A 97 18.728 13.342 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.554 12.588 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.292 11.393 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 97 15.953 12.417 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.952 14.967 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 97 16.386 14.931 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 97 18.005 15.563 1.916 1.00 0.00 H new ATOM 1381 N ARG A 98 17.230 11.120 5.414 1.00 0.00 N ATOM 1382 CA ARG A 98 16.747 9.792 5.770 1.00 0.00 C ATOM 1383 C ARG A 98 15.399 9.851 6.495 1.00 0.00 C ATOM 1384 O ARG A 98 14.449 9.175 6.103 1.00 0.00 O ATOM 1385 CB ARG A 98 17.811 9.069 6.616 1.00 0.00 C ATOM 1386 CG ARG A 98 17.258 8.016 7.569 1.00 0.00 C ATOM 1387 CD ARG A 98 17.207 8.549 8.992 1.00 0.00 C ATOM 1388 NE ARG A 98 16.428 7.695 9.881 1.00 0.00 N ATOM 1389 CZ ARG A 98 16.165 7.997 11.149 1.00 0.00 C ATOM 1390 NH1 ARG A 98 16.681 9.095 11.694 1.00 0.00 N ATOM 1391 NH2 ARG A 98 15.392 7.197 11.874 1.00 0.00 N ATOM 0 H ARG A 98 18.127 11.364 5.833 1.00 0.00 H new ATOM 0 HA ARG A 98 16.579 9.227 4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.527 8.593 5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.361 9.811 7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.258 7.720 7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.882 7.123 7.533 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.222 8.641 9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 98 16.777 9.550 8.986 1.00 0.00 H new ATOM 0 HE ARG A 98 16.065 6.817 9.510 1.00 0.00 H new ATOM 0 HH11 ARG A 98 17.279 9.707 11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.478 9.325 12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.001 6.352 11.458 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.190 7.428 12.847 1.00 0.00 H new ATOM 1405 N GLU A 99 15.297 10.667 7.531 1.00 0.00 N ATOM 1406 CA GLU A 99 14.091 10.668 8.348 1.00 0.00 C ATOM 1407 C GLU A 99 12.944 11.409 7.673 1.00 0.00 C ATOM 1408 O GLU A 99 11.795 10.971 7.740 1.00 0.00 O ATOM 1409 CB GLU A 99 14.363 11.256 9.728 1.00 0.00 C ATOM 1410 CG GLU A 99 14.976 12.643 9.722 1.00 0.00 C ATOM 1411 CD GLU A 99 15.180 13.168 11.124 1.00 0.00 C ATOM 1412 OE1 GLU A 99 16.180 12.784 11.767 1.00 0.00 O ATOM 1413 OE2 GLU A 99 14.321 13.936 11.604 1.00 0.00 O ATOM 0 H GLU A 99 16.018 11.326 7.824 1.00 0.00 H new ATOM 0 HA GLU A 99 13.789 9.627 8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.425 11.291 10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 99 15.028 10.583 10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.933 12.616 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.330 13.324 9.168 1.00 0.00 H new ATOM 1420 N SER A 100 13.255 12.516 7.019 1.00 0.00 N ATOM 1421 CA SER A 100 12.239 13.329 6.356 1.00 0.00 C ATOM 1422 C SER A 100 11.428 12.507 5.356 1.00 0.00 C ATOM 1423 O SER A 100 10.211 12.676 5.246 1.00 0.00 O ATOM 1424 CB SER A 100 12.890 14.511 5.646 1.00 0.00 C ATOM 1425 OG SER A 100 13.934 14.086 4.804 1.00 0.00 O ATOM 0 H SER A 100 14.205 12.876 6.931 1.00 0.00 H new ATOM 0 HA SER A 100 11.558 13.697 7.123 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.141 15.044 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.277 15.214 6.384 1.00 0.00 H new ATOM 0 HG SER A 100 14.745 13.944 5.335 1.00 0.00 H new ATOM 1431 N MET A 101 12.117 11.622 4.640 1.00 0.00 N ATOM 1432 CA MET A 101 11.489 10.743 3.658 1.00 0.00 C ATOM 1433 C MET A 101 10.324 9.972 4.266 1.00 0.00 C ATOM 1434 O MET A 101 9.206 9.989 3.741 1.00 0.00 O ATOM 1435 CB MET A 101 12.521 9.763 3.095 1.00 0.00 C ATOM 1436 CG MET A 101 13.365 10.333 1.966 1.00 0.00 C ATOM 1437 SD MET A 101 12.464 10.438 0.407 1.00 0.00 S ATOM 1438 CE MET A 101 12.182 8.702 0.059 1.00 0.00 C ATOM 0 H MET A 101 13.125 11.494 4.724 1.00 0.00 H new ATOM 0 HA MET A 101 11.100 11.366 2.852 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.180 9.443 3.902 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.004 8.874 2.735 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.715 11.326 2.246 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.249 9.710 1.829 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.143 8.549 -1.019 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.994 8.110 0.481 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.237 8.391 0.504 1.00 0.00 H new ATOM 1448 N MET A 102 10.574 9.315 5.391 1.00 0.00 N ATOM 1449 CA MET A 102 9.551 8.492 6.018 1.00 0.00 C ATOM 1450 C MET A 102 8.573 9.347 6.815 1.00 0.00 C ATOM 1451 O MET A 102 7.419 8.963 7.011 1.00 0.00 O ATOM 1452 CB MET A 102 10.176 7.417 6.908 1.00 0.00 C ATOM 1453 CG MET A 102 10.803 7.939 8.189 1.00 0.00 C ATOM 1454 SD MET A 102 11.534 6.615 9.164 1.00 0.00 S ATOM 1455 CE MET A 102 10.186 5.430 9.153 1.00 0.00 C ATOM 0 H MET A 102 11.467 9.336 5.883 1.00 0.00 H new ATOM 0 HA MET A 102 8.997 7.993 5.223 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.409 6.687 7.166 1.00 0.00 H new ATOM 0 HB3 MET A 102 10.938 6.889 6.335 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.568 8.676 7.945 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.045 8.451 8.782 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.322 4.717 9.966 1.00 0.00 H new ATOM 0 HE2 MET A 102 9.240 5.954 9.285 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.177 4.898 8.201 1.00 0.00 H new ATOM 1465 N GLN A 103 9.036 10.509 7.265 1.00 0.00 N ATOM 1466 CA GLN A 103 8.171 11.458 7.967 1.00 0.00 C ATOM 1467 C GLN A 103 7.079 11.985 7.047 1.00 0.00 C ATOM 1468 O GLN A 103 6.043 12.459 7.506 1.00 0.00 O ATOM 1469 CB GLN A 103 8.977 12.630 8.529 1.00 0.00 C ATOM 1470 CG GLN A 103 9.164 12.564 10.038 1.00 0.00 C ATOM 1471 CD GLN A 103 9.753 11.249 10.510 1.00 0.00 C ATOM 1472 OE1 GLN A 103 9.031 10.285 10.755 1.00 0.00 O ATOM 1473 NE2 GLN A 103 11.063 11.210 10.668 1.00 0.00 N ATOM 0 H GLN A 103 10.002 10.818 7.158 1.00 0.00 H new ATOM 0 HA GLN A 103 7.708 10.922 8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.956 12.652 8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.475 13.563 8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.815 13.380 10.353 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.201 12.719 10.524 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.627 12.032 10.453 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.511 10.358 11.005 1.00 0.00 H new ATOM 1482 N ALA A 104 7.327 11.913 5.747 1.00 0.00 N ATOM 1483 CA ALA A 104 6.331 12.295 4.771 1.00 0.00 C ATOM 1484 C ALA A 104 5.247 11.231 4.703 1.00 0.00 C ATOM 1485 O ALA A 104 4.113 11.468 5.118 1.00 0.00 O ATOM 1486 CB ALA A 104 6.972 12.502 3.407 1.00 0.00 C ATOM 0 H ALA A 104 8.210 11.593 5.349 1.00 0.00 H new ATOM 0 HA ALA A 104 5.878 13.239 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.207 12.789 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.722 13.290 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.447 11.576 3.084 1.00 0.00 H new ATOM 1492 N THR A 105 5.629 10.048 4.215 1.00 0.00 N ATOM 1493 CA THR A 105 4.709 8.915 4.061 1.00 0.00 C ATOM 1494 C THR A 105 5.266 7.894 3.065 1.00 0.00 C ATOM 1495 O THR A 105 4.779 6.766 2.982 1.00 0.00 O ATOM 1496 CB THR A 105 3.303 9.353 3.574 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.408 8.232 3.563 1.00 0.00 O ATOM 1498 CG2 THR A 105 3.372 9.960 2.183 1.00 0.00 C ATOM 0 H THR A 105 6.583 9.847 3.915 1.00 0.00 H new ATOM 0 HA THR A 105 4.612 8.469 5.051 1.00 0.00 H new ATOM 0 HB THR A 105 2.930 10.108 4.266 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.899 7.424 3.306 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.373 10.258 1.866 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.023 10.834 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.770 9.224 1.484 1.00 0.00 H new ATOM 1506 N GLY A 106 6.282 8.295 2.304 1.00 0.00 N ATOM 1507 CA GLY A 106 6.837 7.421 1.288 1.00 0.00 C ATOM 1508 C GLY A 106 7.938 6.525 1.818 1.00 0.00 C ATOM 1509 O GLY A 106 8.650 5.897 1.035 1.00 0.00 O ATOM 0 H GLY A 106 6.729 9.209 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.041 6.803 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.230 8.026 0.471 1.00 0.00 H new ATOM 1513 N SER A 107 8.067 6.459 3.149 1.00 0.00 N ATOM 1514 CA SER A 107 9.106 5.670 3.798 1.00 0.00 C ATOM 1515 C SER A 107 10.505 6.186 3.445 1.00 0.00 C ATOM 1516 O SER A 107 10.658 7.131 2.672 1.00 0.00 O ATOM 1517 CB SER A 107 8.955 4.199 3.415 1.00 0.00 C ATOM 1518 OG SER A 107 7.721 3.675 3.885 1.00 0.00 O ATOM 0 H SER A 107 7.454 6.951 3.799 1.00 0.00 H new ATOM 0 HA SER A 107 8.988 5.769 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.010 4.094 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.781 3.624 3.833 1.00 0.00 H new ATOM 0 HG SER A 107 7.646 2.733 3.626 1.00 0.00 H new ATOM 1524 N VAL A 108 11.522 5.586 4.040 1.00 0.00 N ATOM 1525 CA VAL A 108 12.885 5.972 3.767 1.00 0.00 C ATOM 1526 C VAL A 108 13.602 4.888 2.977 1.00 0.00 C ATOM 1527 O VAL A 108 13.894 3.797 3.474 1.00 0.00 O ATOM 1528 CB VAL A 108 13.653 6.329 5.059 1.00 0.00 C ATOM 1529 CG1 VAL A 108 13.370 5.328 6.167 1.00 0.00 C ATOM 1530 CG2 VAL A 108 15.149 6.441 4.788 1.00 0.00 C ATOM 0 H VAL A 108 11.423 4.829 4.716 1.00 0.00 H new ATOM 0 HA VAL A 108 12.856 6.875 3.157 1.00 0.00 H new ATOM 0 HB VAL A 108 13.298 7.302 5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.926 5.609 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.303 5.323 6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 108 13.678 4.333 5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.668 6.693 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.523 5.489 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.327 7.221 4.048 1.00 0.00 H new ATOM 1540 N ASP A 109 13.838 5.205 1.722 1.00 0.00 N ATOM 1541 CA ASP A 109 14.514 4.310 0.796 1.00 0.00 C ATOM 1542 C ASP A 109 16.019 4.285 1.075 1.00 0.00 C ATOM 1543 O ASP A 109 16.514 5.038 1.915 1.00 0.00 O ATOM 1544 CB ASP A 109 14.234 4.775 -0.636 1.00 0.00 C ATOM 1545 CG ASP A 109 14.857 3.880 -1.684 1.00 0.00 C ATOM 1546 OD1 ASP A 109 14.758 2.644 -1.548 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.491 4.412 -2.614 1.00 0.00 O ATOM 0 H ASP A 109 13.566 6.097 1.309 1.00 0.00 H new ATOM 0 HA ASP A 109 14.137 3.296 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.156 4.814 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.612 5.790 -0.762 1.00 0.00 H new ATOM 1552 N ASN A 110 16.745 3.419 0.383 1.00 0.00 N ATOM 1553 CA ASN A 110 18.194 3.343 0.537 1.00 0.00 C ATOM 1554 C ASN A 110 18.895 3.519 -0.806 1.00 0.00 C ATOM 1555 O ASN A 110 20.107 3.356 -0.906 1.00 0.00 O ATOM 1556 CB ASN A 110 18.614 2.016 1.177 1.00 0.00 C ATOM 1557 CG ASN A 110 18.272 1.928 2.655 1.00 0.00 C ATOM 1558 OD1 ASN A 110 18.337 3.050 3.358 1.00 0.00 O flip ATOM 1559 ND2 ASN A 110 17.968 0.853 3.165 1.00 0.00 N flip ATOM 0 H ASN A 110 16.357 2.759 -0.291 1.00 0.00 H new ATOM 0 HA ASN A 110 18.496 4.156 1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 110 18.128 1.196 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 110 19.689 1.884 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 110 17.928 0.010 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 110 17.755 0.803 4.161 1.00 0.00 H new ATOM 1566 N ALA A 111 18.124 3.847 -1.835 1.00 0.00 N ATOM 1567 CA ALA A 111 18.685 4.130 -3.149 1.00 0.00 C ATOM 1568 C ALA A 111 18.570 5.617 -3.456 1.00 0.00 C ATOM 1569 O ALA A 111 19.575 6.278 -3.665 1.00 0.00 O ATOM 1570 CB ALA A 111 17.990 3.301 -4.220 1.00 0.00 C ATOM 0 H ALA A 111 17.108 3.924 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 111 19.740 3.857 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.424 3.527 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 111 18.121 2.241 -4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.927 3.540 -4.232 1.00 0.00 H new ATOM 1576 N PHE A 112 17.347 6.143 -3.452 1.00 0.00 N ATOM 1577 CA PHE A 112 17.120 7.576 -3.672 1.00 0.00 C ATOM 1578 C PHE A 112 17.864 8.396 -2.631 1.00 0.00 C ATOM 1579 O PHE A 112 18.578 9.345 -2.956 1.00 0.00 O ATOM 1580 CB PHE A 112 15.617 7.891 -3.611 1.00 0.00 C ATOM 1581 CG PHE A 112 15.299 9.366 -3.547 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.224 10.124 -4.704 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.078 9.993 -2.325 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.934 11.474 -4.646 1.00 0.00 C ATOM 1585 CE2 PHE A 112 14.788 11.343 -2.264 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.716 12.084 -3.426 1.00 0.00 C ATOM 0 H PHE A 112 16.496 5.602 -3.299 1.00 0.00 H new ATOM 0 HA PHE A 112 17.497 7.838 -4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.131 7.463 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.189 7.400 -2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.394 9.655 -5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.134 9.418 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.878 12.053 -5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.618 11.817 -1.309 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.490 13.139 -3.382 1.00 0.00 H new ATOM 1596 N THR A 113 17.691 8.011 -1.379 1.00 0.00 N ATOM 1597 CA THR A 113 18.356 8.656 -0.263 1.00 0.00 C ATOM 1598 C THR A 113 19.878 8.556 -0.411 1.00 0.00 C ATOM 1599 O THR A 113 20.626 9.422 0.035 1.00 0.00 O ATOM 1600 CB THR A 113 17.901 7.975 1.035 1.00 0.00 C ATOM 1601 OG1 THR A 113 16.618 7.377 0.807 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.784 8.972 2.170 1.00 0.00 C ATOM 0 H THR A 113 17.082 7.239 -1.108 1.00 0.00 H new ATOM 0 HA THR A 113 18.092 9.713 -0.240 1.00 0.00 H new ATOM 0 HB THR A 113 18.641 7.225 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 113 16.431 6.724 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.460 8.457 3.074 1.00 0.00 H new ATOM 0 HG22 THR A 113 18.753 9.439 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 113 17.055 9.738 1.907 1.00 0.00 H new ATOM 1610 N ASN A 114 20.310 7.493 -1.069 1.00 0.00 N ATOM 1611 CA ASN A 114 21.722 7.249 -1.344 1.00 0.00 C ATOM 1612 C ASN A 114 22.202 8.124 -2.491 1.00 0.00 C ATOM 1613 O ASN A 114 23.280 8.708 -2.422 1.00 0.00 O ATOM 1614 CB ASN A 114 21.902 5.775 -1.699 1.00 0.00 C ATOM 1615 CG ASN A 114 23.279 5.440 -2.230 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.202 5.144 -1.468 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.416 5.452 -3.547 1.00 0.00 N ATOM 0 H ASN A 114 19.690 6.769 -1.431 1.00 0.00 H new ATOM 0 HA ASN A 114 22.312 7.495 -0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.707 5.171 -0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.157 5.497 -2.445 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.313 5.210 -3.969 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.625 5.703 -4.140 1.00 0.00 H new ATOM 1624 N GLU A 115 21.395 8.192 -3.545 1.00 0.00 N ATOM 1625 CA GLU A 115 21.661 9.042 -4.679 1.00 0.00 C ATOM 1626 C GLU A 115 21.926 10.460 -4.211 1.00 0.00 C ATOM 1627 O GLU A 115 22.952 11.054 -4.540 1.00 0.00 O ATOM 1628 CB GLU A 115 20.449 9.028 -5.597 1.00 0.00 C ATOM 1629 CG GLU A 115 20.112 7.673 -6.190 1.00 0.00 C ATOM 1630 CD GLU A 115 21.219 7.102 -7.043 1.00 0.00 C ATOM 1631 OE1 GLU A 115 21.392 7.580 -8.184 1.00 0.00 O ATOM 1632 OE2 GLU A 115 21.895 6.149 -6.593 1.00 0.00 O ATOM 0 H GLU A 115 20.534 7.651 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 115 22.538 8.676 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 115 19.585 9.389 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.620 9.732 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 115 19.889 6.976 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 115 19.208 7.763 -6.792 1.00 0.00 H new ATOM 1639 N VAL A 116 20.995 10.984 -3.423 1.00 0.00 N ATOM 1640 CA VAL A 116 21.138 12.313 -2.847 1.00 0.00 C ATOM 1641 C VAL A 116 22.427 12.411 -2.029 1.00 0.00 C ATOM 1642 O VAL A 116 23.227 13.323 -2.227 1.00 0.00 O ATOM 1643 CB VAL A 116 19.929 12.671 -1.954 1.00 0.00 C ATOM 1644 CG1 VAL A 116 20.095 14.052 -1.338 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.639 12.600 -2.751 1.00 0.00 C ATOM 0 H VAL A 116 20.131 10.506 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 116 21.182 13.024 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 116 19.881 11.942 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.230 14.279 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 116 20.998 14.072 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.176 14.796 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 116 17.798 12.855 -2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.686 13.304 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.506 11.590 -3.138 1.00 0.00 H new ATOM 1655 N MET A 117 22.648 11.436 -1.154 1.00 0.00 N ATOM 1656 CA MET A 117 23.812 11.439 -0.272 1.00 0.00 C ATOM 1657 C MET A 117 25.095 11.043 -0.997 1.00 0.00 C ATOM 1658 O MET A 117 26.104 10.744 -0.365 1.00 0.00 O ATOM 1659 CB MET A 117 23.574 10.523 0.931 1.00 0.00 C ATOM 1660 CG MET A 117 22.533 11.064 1.902 1.00 0.00 C ATOM 1661 SD MET A 117 22.639 12.857 2.129 1.00 0.00 S ATOM 1662 CE MET A 117 24.324 13.061 2.706 1.00 0.00 C ATOM 0 H MET A 117 22.034 10.630 -1.036 1.00 0.00 H new ATOM 0 HA MET A 117 23.945 12.463 0.077 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.255 9.543 0.576 1.00 0.00 H new ATOM 0 HB3 MET A 117 24.515 10.379 1.461 1.00 0.00 H new ATOM 0 HG2 MET A 117 21.538 10.808 1.539 1.00 0.00 H new ATOM 0 HG3 MET A 117 22.656 10.573 2.868 1.00 0.00 H new ATOM 0 HE1 MET A 117 24.336 13.733 3.564 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.728 12.092 2.998 1.00 0.00 H new ATOM 0 HE3 MET A 117 24.934 13.482 1.907 1.00 0.00 H new ATOM 1672 N GLN A 118 25.048 11.035 -2.318 1.00 0.00 N ATOM 1673 CA GLN A 118 26.255 10.932 -3.119 1.00 0.00 C ATOM 1674 C GLN A 118 26.380 12.164 -4.007 1.00 0.00 C ATOM 1675 O GLN A 118 27.451 12.757 -4.128 1.00 0.00 O ATOM 1676 CB GLN A 118 26.238 9.660 -3.970 1.00 0.00 C ATOM 1677 CG GLN A 118 27.554 9.395 -4.682 1.00 0.00 C ATOM 1678 CD GLN A 118 28.715 9.269 -3.717 1.00 0.00 C ATOM 1679 OE1 GLN A 118 29.368 10.256 -3.375 1.00 0.00 O ATOM 1680 NE2 GLN A 118 28.975 8.056 -3.263 1.00 0.00 N ATOM 0 H GLN A 118 24.186 11.099 -2.859 1.00 0.00 H new ATOM 0 HA GLN A 118 27.117 10.877 -2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.000 8.808 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.442 9.737 -4.710 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.470 8.479 -5.267 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.754 10.205 -5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.410 7.264 -3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.740 7.911 -2.605 1.00 0.00 H new ATOM 1689 N LEU A 119 25.263 12.558 -4.599 1.00 0.00 N ATOM 1690 CA LEU A 119 25.215 13.719 -5.471 1.00 0.00 C ATOM 1691 C LEU A 119 25.528 15.006 -4.712 1.00 0.00 C ATOM 1692 O LEU A 119 26.267 15.845 -5.210 1.00 0.00 O ATOM 1693 CB LEU A 119 23.845 13.808 -6.143 1.00 0.00 C ATOM 1694 CG LEU A 119 23.594 12.757 -7.226 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.102 12.510 -7.397 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.207 13.202 -8.541 1.00 0.00 C ATOM 0 H LEU A 119 24.367 12.083 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 119 25.981 13.600 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.074 13.713 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.736 14.798 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 119 24.065 11.824 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 119 21.944 11.760 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.682 12.155 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.610 13.439 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.021 12.445 -9.303 1.00 0.00 H new ATOM 0 HD22 LEU A 119 23.759 14.146 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.282 13.334 -8.415 1.00 0.00 H new ATOM 1708 N VAL A 120 24.993 15.150 -3.501 1.00 0.00 N ATOM 1709 CA VAL A 120 25.251 16.345 -2.693 1.00 0.00 C ATOM 1710 C VAL A 120 26.752 16.525 -2.457 1.00 0.00 C ATOM 1711 O VAL A 120 27.258 17.645 -2.435 1.00 0.00 O ATOM 1712 CB VAL A 120 24.514 16.285 -1.333 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.884 17.472 -0.454 1.00 0.00 C ATOM 1714 CG2 VAL A 120 23.007 16.240 -1.541 1.00 0.00 C ATOM 0 H VAL A 120 24.383 14.462 -3.059 1.00 0.00 H new ATOM 0 HA VAL A 120 24.869 17.200 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 120 24.828 15.372 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.351 17.403 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.958 17.466 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.608 18.398 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.507 16.198 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.687 17.134 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.746 15.356 -2.123 1.00 0.00 H new ATOM 1724 N LYS A 121 27.455 15.409 -2.312 1.00 0.00 N ATOM 1725 CA LYS A 121 28.902 15.420 -2.111 1.00 0.00 C ATOM 1726 C LYS A 121 29.624 15.787 -3.403 1.00 0.00 C ATOM 1727 O LYS A 121 30.515 16.635 -3.423 1.00 0.00 O ATOM 1728 CB LYS A 121 29.367 14.040 -1.639 1.00 0.00 C ATOM 1729 CG LYS A 121 28.758 13.623 -0.313 1.00 0.00 C ATOM 1730 CD LYS A 121 28.747 12.109 -0.118 1.00 0.00 C ATOM 1731 CE LYS A 121 30.146 11.506 0.023 1.00 0.00 C ATOM 1732 NZ LYS A 121 30.823 11.291 -1.287 1.00 0.00 N ATOM 0 H LYS A 121 27.044 14.476 -2.330 1.00 0.00 H new ATOM 0 HA LYS A 121 29.140 16.167 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 121 29.112 13.299 -2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.453 14.042 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 121 29.317 14.086 0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.737 14.000 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 121 28.164 11.869 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 121 28.242 11.644 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 121 30.759 12.164 0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.074 10.554 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 31.506 10.511 -1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 30.114 11.052 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 31.322 12.159 -1.566 1.00 0.00 H new ATOM 1746 N MET A 122 29.217 15.138 -4.483 1.00 0.00 N ATOM 1747 CA MET A 122 29.862 15.304 -5.780 1.00 0.00 C ATOM 1748 C MET A 122 29.559 16.665 -6.407 1.00 0.00 C ATOM 1749 O MET A 122 30.399 17.234 -7.106 1.00 0.00 O ATOM 1750 CB MET A 122 29.418 14.168 -6.709 1.00 0.00 C ATOM 1751 CG MET A 122 29.877 14.323 -8.147 1.00 0.00 C ATOM 1752 SD MET A 122 29.474 12.881 -9.158 1.00 0.00 S ATOM 1753 CE MET A 122 27.707 12.729 -8.879 1.00 0.00 C ATOM 0 H MET A 122 28.434 14.484 -4.488 1.00 0.00 H new ATOM 0 HA MET A 122 30.941 15.263 -5.633 1.00 0.00 H new ATOM 0 HB2 MET A 122 29.799 13.225 -6.318 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.330 14.104 -6.692 1.00 0.00 H new ATOM 0 HG2 MET A 122 29.412 15.209 -8.580 1.00 0.00 H new ATOM 0 HG3 MET A 122 30.954 14.487 -8.166 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.279 12.052 -9.618 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.529 12.334 -7.879 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.239 13.709 -8.971 1.00 0.00 H new ATOM 1763 N LEU A 123 28.379 17.197 -6.136 1.00 0.00 N ATOM 1764 CA LEU A 123 27.941 18.440 -6.760 1.00 0.00 C ATOM 1765 C LEU A 123 28.330 19.651 -5.922 1.00 0.00 C ATOM 1766 O LEU A 123 27.891 20.768 -6.193 1.00 0.00 O ATOM 1767 CB LEU A 123 26.426 18.417 -6.989 1.00 0.00 C ATOM 1768 CG LEU A 123 25.926 17.294 -7.905 1.00 0.00 C ATOM 1769 CD1 LEU A 123 24.411 17.313 -7.995 1.00 0.00 C ATOM 1770 CD2 LEU A 123 26.540 17.413 -9.293 1.00 0.00 C ATOM 0 H LEU A 123 27.705 16.789 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 123 28.444 18.524 -7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 123 25.929 18.326 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.123 19.374 -7.414 1.00 0.00 H new ATOM 0 HG LEU A 123 26.237 16.343 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.075 16.509 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 123 23.986 17.173 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.082 18.271 -8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.170 16.605 -9.925 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.265 18.372 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 123 27.625 17.347 -9.218 1.00 0.00 H new ATOM 1782 N SER A 124 29.161 19.430 -4.917 1.00 0.00 N ATOM 1783 CA SER A 124 29.667 20.518 -4.101 1.00 0.00 C ATOM 1784 C SER A 124 31.185 20.531 -4.170 1.00 0.00 C ATOM 1785 O SER A 124 31.788 21.441 -4.748 1.00 0.00 O ATOM 1786 CB SER A 124 29.197 20.368 -2.648 1.00 0.00 C ATOM 1787 OG SER A 124 29.480 19.070 -2.150 1.00 0.00 O ATOM 0 H SER A 124 29.499 18.506 -4.648 1.00 0.00 H new ATOM 0 HA SER A 124 29.280 21.463 -4.483 1.00 0.00 H new ATOM 0 HB2 SER A 124 29.689 21.115 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 124 28.125 20.558 -2.588 1.00 0.00 H new ATOM 0 HG SER A 124 28.716 18.480 -2.322 1.00 0.00 H new ATOM 1793 N ALA A 125 31.778 19.489 -3.595 1.00 0.00 N ATOM 1794 CA ALA A 125 33.216 19.288 -3.591 1.00 0.00 C ATOM 1795 C ALA A 125 33.550 18.011 -2.846 1.00 0.00 C ATOM 1796 O ALA A 125 33.611 17.989 -1.614 1.00 0.00 O ATOM 1797 CB ALA A 125 33.932 20.459 -2.951 1.00 0.00 C ATOM 0 H ALA A 125 31.262 18.753 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 125 33.553 19.210 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 125 35.007 20.279 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.710 21.369 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.595 20.573 -1.921 1.00 0.00 H new