USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 GLN : amide:sc= 1.75 K(o=3.5,f=-0.75) USER MOD Set 1.2: A 118 ASN : amide:sc= 1.79 K(o=3.5,f=-0.75) USER MOD Set 2.1: A 103 ASN : amide:sc= 0.647 K(o=1.1,f=-1.5) USER MOD Set 2.2: A 107 GLN : amide:sc= 0.488 K(o=1.1,f=-0.83) USER MOD Set 3.1: A 64 ASN : amide:sc= -0.998 K(o=-0.76,f=-6.8!) USER MOD Set 3.2: A 65 LYS NZ :NH3+ -163:sc= 0.242 (180deg=-0.858) USER MOD Set 4.1: A 30 MET CE :methyl 172:sc= -0.0196 (180deg=-0.0192) USER MOD Set 4.2: A 99 SER OG : rot -100:sc= 1.35 USER MOD Single : A 8 THR OG1 : rot 17:sc= 0.637 USER MOD Single : A 11 THR OG1 : rot -100:sc= 1.3 USER MOD Single : A 12 ASN : amide:sc= -1.73! C(o=-1.7!,f=-9.9!) USER MOD Single : A 18 ASN : amide:sc= 1.19 K(o=1.2,f=-0.096) USER MOD Single : A 20 MET CE :methyl -146:sc=-0.00175 (180deg=-1.1) USER MOD Single : A 21 ASN : amide:sc= 1.19 K(o=1.2,f=-0.077) USER MOD Single : A 22 SER OG : rot 82:sc= 1.18 USER MOD Single : A 24 MET CE :methyl -142:sc= -0.382 (180deg=-1.63) USER MOD Single : A 25 GLN : amide:sc= -0.938 K(o=-0.94,f=-3.2!) USER MOD Single : A 28 SER OG : rot -96:sc= 1.24 USER MOD Single : A 29 SER OG : rot 86:sc= 0.00406 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 37 GLN : amide:sc= -1.45 K(o=-1.4,f=-7!) USER MOD Single : A 41 MET CE :methyl -150:sc= -1.97 (180deg=-4.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 82:sc= 0.709 USER MOD Single : A 46 GLN : amide:sc= 0.00329 X(o=0.0033,f=-0.19) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 162:sc= -0.65 (180deg=-1.77!) USER MOD Single : A 50 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.15) USER MOD Single : A 51 SER OG : rot 68:sc= 0.549 USER MOD Single : A 53 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0298 F(o=-1.1!,f=-0.03) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.202 F(o=-0.72,f=-0.2) USER MOD Single : A 71 MET CE :methyl -171:sc= -1.57 (180deg=-1.91) USER MOD Single : A 75 SER OG : rot -88:sc= 1.21 USER MOD Single : A 76 SER OG : rot 97:sc= 1.25 USER MOD Single : A 77 MET CE :methyl -177:sc= -1.3 (180deg=-1.43) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0.341 (180deg=0.341) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 95 SER OG : rot 83:sc= 1.19 USER MOD Single : A 96 SER OG : rot 54:sc= 1.15 USER MOD Single : A 101 MET CE :methyl 175:sc= -1.65 (180deg=-1.79) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 108 THR OG1 : rot -81:sc= -0.367 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.6!) USER MOD Single : A 121 THR OG1 : rot -86:sc= 1.25 USER MOD Single : A 122 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.35) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 159:sc= -0.226 (180deg=-0.925) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 13.397 -0.011 -7.334 1.00 0.00 N ATOM 82 CA THR A 8 14.209 0.353 -8.479 1.00 0.00 C ATOM 83 C THR A 8 15.588 -0.298 -8.365 1.00 0.00 C ATOM 84 O THR A 8 16.160 -0.353 -7.279 1.00 0.00 O ATOM 85 CB THR A 8 14.362 1.884 -8.558 1.00 0.00 C ATOM 86 OG1 THR A 8 13.200 2.510 -8.001 1.00 0.00 O ATOM 87 CG2 THR A 8 14.544 2.352 -9.995 1.00 0.00 C ATOM 0 HA THR A 8 13.717 -0.000 -9.385 1.00 0.00 H new ATOM 0 HB THR A 8 15.250 2.164 -7.992 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.707 1.860 -7.458 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.649 3.437 -10.014 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.439 1.894 -10.416 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.675 2.061 -10.585 1.00 0.00 H new ATOM 95 N PRO A 9 16.137 -0.804 -9.479 1.00 0.00 N ATOM 96 CA PRO A 9 17.447 -1.470 -9.485 1.00 0.00 C ATOM 97 C PRO A 9 18.603 -0.518 -9.170 1.00 0.00 C ATOM 98 O PRO A 9 19.701 -0.954 -8.826 1.00 0.00 O ATOM 99 CB PRO A 9 17.574 -2.005 -10.916 1.00 0.00 C ATOM 100 CG PRO A 9 16.654 -1.159 -11.728 1.00 0.00 C ATOM 101 CD PRO A 9 15.522 -0.780 -10.816 1.00 0.00 C ATOM 0 HA PRO A 9 17.503 -2.241 -8.717 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.600 -1.930 -11.276 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.294 -3.057 -10.970 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.167 -0.273 -12.101 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.288 -1.705 -12.597 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.124 0.206 -11.058 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.694 -1.485 -10.890 1.00 0.00 H new ATOM 109 N TRP A 10 18.351 0.784 -9.270 1.00 0.00 N ATOM 110 CA TRP A 10 19.398 1.783 -9.059 1.00 0.00 C ATOM 111 C TRP A 10 19.446 2.232 -7.599 1.00 0.00 C ATOM 112 O TRP A 10 20.048 3.255 -7.278 1.00 0.00 O ATOM 113 CB TRP A 10 19.172 3.004 -9.959 1.00 0.00 C ATOM 114 CG TRP A 10 18.856 2.677 -11.392 1.00 0.00 C ATOM 115 CD1 TRP A 10 17.913 3.286 -12.166 1.00 0.00 C ATOM 116 CD2 TRP A 10 19.465 1.671 -12.219 1.00 0.00 C ATOM 117 NE1 TRP A 10 17.899 2.731 -13.421 1.00 0.00 N ATOM 118 CE2 TRP A 10 18.841 1.739 -13.481 1.00 0.00 C ATOM 119 CE3 TRP A 10 20.478 0.723 -12.024 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.191 0.897 -14.534 1.00 0.00 C ATOM 121 CZ3 TRP A 10 20.823 -0.111 -13.071 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.182 -0.018 -14.313 1.00 0.00 C ATOM 0 H TRP A 10 17.435 1.173 -9.495 1.00 0.00 H new ATOM 0 HA TRP A 10 20.350 1.318 -9.315 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.355 3.596 -9.547 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.064 3.629 -9.931 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.270 4.089 -11.839 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.286 3.012 -14.186 1.00 0.00 H new ATOM 0 HE3 TRP A 10 20.981 0.645 -11.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 18.697 0.965 -15.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 21.600 -0.847 -12.929 1.00 0.00 H new ATOM 0 HH2 TRP A 10 20.477 -0.682 -15.112 1.00 0.00 H new ATOM 133 N THR A 11 18.819 1.460 -6.718 1.00 0.00 N ATOM 134 CA THR A 11 18.753 1.800 -5.309 1.00 0.00 C ATOM 135 C THR A 11 20.101 1.606 -4.621 1.00 0.00 C ATOM 136 O THR A 11 20.480 2.386 -3.746 1.00 0.00 O ATOM 137 CB THR A 11 17.684 0.955 -4.597 1.00 0.00 C ATOM 138 OG1 THR A 11 17.681 -0.380 -5.128 1.00 0.00 O ATOM 139 CG2 THR A 11 16.307 1.582 -4.751 1.00 0.00 C ATOM 0 H THR A 11 18.347 0.589 -6.962 1.00 0.00 H new ATOM 0 HA THR A 11 18.483 2.854 -5.243 1.00 0.00 H new ATOM 0 HB THR A 11 17.925 0.918 -3.535 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.951 -0.473 -5.775 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.568 0.966 -4.239 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.311 2.581 -4.315 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.054 1.649 -5.809 1.00 0.00 H new ATOM 147 N ASN A 12 20.823 0.569 -5.019 1.00 0.00 N ATOM 148 CA ASN A 12 22.116 0.286 -4.426 1.00 0.00 C ATOM 149 C ASN A 12 23.157 0.004 -5.491 1.00 0.00 C ATOM 150 O ASN A 12 22.950 -0.808 -6.394 1.00 0.00 O ATOM 151 CB ASN A 12 22.014 -0.879 -3.442 1.00 0.00 C ATOM 152 CG ASN A 12 23.351 -1.417 -2.948 1.00 0.00 C ATOM 153 OD1 ASN A 12 24.316 -0.681 -2.768 1.00 0.00 O ATOM 154 ND2 ASN A 12 23.414 -2.720 -2.724 1.00 0.00 N ATOM 0 H ASN A 12 20.535 -0.086 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 12 22.435 1.171 -3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.427 -0.559 -2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 12 21.465 -1.691 -3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 12 24.283 -3.139 -2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.594 -3.305 -2.883 1.00 0.00 H new ATOM 161 N PRO A 13 24.284 0.703 -5.379 1.00 0.00 N ATOM 162 CA PRO A 13 25.440 0.534 -6.258 1.00 0.00 C ATOM 163 C PRO A 13 25.868 -0.929 -6.358 1.00 0.00 C ATOM 164 O PRO A 13 26.236 -1.409 -7.431 1.00 0.00 O ATOM 165 CB PRO A 13 26.530 1.355 -5.571 1.00 0.00 C ATOM 166 CG PRO A 13 25.804 2.347 -4.725 1.00 0.00 C ATOM 167 CD PRO A 13 24.498 1.735 -4.358 1.00 0.00 C ATOM 0 HA PRO A 13 25.230 0.850 -7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.177 0.721 -4.965 1.00 0.00 H new ATOM 0 HB3 PRO A 13 27.166 1.853 -6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 13 26.381 2.588 -3.832 1.00 0.00 H new ATOM 0 HG3 PRO A 13 25.653 3.280 -5.268 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.527 1.305 -3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 13 23.696 2.474 -4.364 1.00 0.00 H new ATOM 175 N GLY A 14 25.810 -1.626 -5.225 1.00 0.00 N ATOM 176 CA GLY A 14 26.142 -3.037 -5.192 1.00 0.00 C ATOM 177 C GLY A 14 25.202 -3.863 -6.044 1.00 0.00 C ATOM 178 O GLY A 14 25.636 -4.745 -6.784 1.00 0.00 O ATOM 0 H GLY A 14 25.537 -1.233 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.165 -3.177 -5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.106 -3.394 -4.163 1.00 0.00 H new ATOM 182 N LEU A 15 23.913 -3.564 -5.950 1.00 0.00 N ATOM 183 CA LEU A 15 22.906 -4.269 -6.731 1.00 0.00 C ATOM 184 C LEU A 15 23.103 -4.000 -8.218 1.00 0.00 C ATOM 185 O LEU A 15 23.064 -4.920 -9.030 1.00 0.00 O ATOM 186 CB LEU A 15 21.495 -3.854 -6.290 1.00 0.00 C ATOM 187 CG LEU A 15 20.345 -4.517 -7.060 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.442 -6.033 -6.977 1.00 0.00 C ATOM 189 CD2 LEU A 15 18.998 -4.051 -6.529 1.00 0.00 C ATOM 0 H LEU A 15 23.540 -2.837 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 15 23.019 -5.339 -6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.381 -4.084 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.403 -2.773 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 15 20.429 -4.219 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.617 -6.481 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.388 -6.361 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.391 -6.344 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.199 -4.535 -7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.912 -4.314 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.917 -2.970 -6.641 1.00 0.00 H new ATOM 201 N ALA A 16 23.340 -2.737 -8.558 1.00 0.00 N ATOM 202 CA ALA A 16 23.555 -2.339 -9.946 1.00 0.00 C ATOM 203 C ALA A 16 24.771 -3.043 -10.543 1.00 0.00 C ATOM 204 O ALA A 16 24.731 -3.509 -11.683 1.00 0.00 O ATOM 205 CB ALA A 16 23.718 -0.829 -10.041 1.00 0.00 C ATOM 0 H ALA A 16 23.388 -1.969 -7.889 1.00 0.00 H new ATOM 0 HA ALA A 16 22.679 -2.638 -10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 16 23.878 -0.545 -11.081 1.00 0.00 H new ATOM 0 HB2 ALA A 16 22.818 -0.342 -9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.575 -0.517 -9.444 1.00 0.00 H new ATOM 211 N GLU A 17 25.843 -3.124 -9.764 1.00 0.00 N ATOM 212 CA GLU A 17 27.071 -3.777 -10.207 1.00 0.00 C ATOM 213 C GLU A 17 26.806 -5.247 -10.507 1.00 0.00 C ATOM 214 O GLU A 17 27.010 -5.710 -11.629 1.00 0.00 O ATOM 215 CB GLU A 17 28.150 -3.633 -9.129 1.00 0.00 C ATOM 216 CG GLU A 17 29.568 -3.909 -9.612 1.00 0.00 C ATOM 217 CD GLU A 17 29.881 -5.380 -9.817 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.112 -6.087 -8.812 1.00 0.00 O ATOM 219 OE2 GLU A 17 29.923 -5.832 -10.979 1.00 0.00 O ATOM 0 H GLU A 17 25.887 -2.744 -8.818 1.00 0.00 H new ATOM 0 HA GLU A 17 27.422 -3.299 -11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.108 -2.622 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.920 -4.314 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.729 -3.381 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 17 30.272 -3.497 -8.890 1.00 0.00 H new ATOM 226 N ASN A 18 26.333 -5.966 -9.498 1.00 0.00 N ATOM 227 CA ASN A 18 26.014 -7.380 -9.638 1.00 0.00 C ATOM 228 C ASN A 18 25.006 -7.618 -10.759 1.00 0.00 C ATOM 229 O ASN A 18 25.046 -8.648 -11.434 1.00 0.00 O ATOM 230 CB ASN A 18 25.468 -7.931 -8.323 1.00 0.00 C ATOM 231 CG ASN A 18 26.548 -8.153 -7.279 1.00 0.00 C ATOM 232 OD1 ASN A 18 27.192 -9.200 -7.253 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.747 -7.179 -6.406 1.00 0.00 N ATOM 0 H ASN A 18 26.161 -5.589 -8.566 1.00 0.00 H new ATOM 0 HA ASN A 18 26.935 -7.903 -9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.724 -7.240 -7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.957 -8.874 -8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.455 -7.282 -5.679 1.00 0.00 H new ATOM 0 HD22 ASN A 18 26.192 -6.325 -6.460 1.00 0.00 H new ATOM 240 N PHE A 19 24.101 -6.665 -10.951 1.00 0.00 N ATOM 241 CA PHE A 19 23.125 -6.739 -12.031 1.00 0.00 C ATOM 242 C PHE A 19 23.831 -6.728 -13.382 1.00 0.00 C ATOM 243 O PHE A 19 23.578 -7.584 -14.225 1.00 0.00 O ATOM 244 CB PHE A 19 22.134 -5.576 -11.938 1.00 0.00 C ATOM 245 CG PHE A 19 21.104 -5.560 -13.036 1.00 0.00 C ATOM 246 CD1 PHE A 19 20.075 -6.487 -13.052 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.160 -4.609 -14.045 1.00 0.00 C ATOM 248 CE1 PHE A 19 19.123 -6.470 -14.054 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.211 -4.591 -15.052 1.00 0.00 C ATOM 250 CZ PHE A 19 19.192 -5.521 -15.054 1.00 0.00 C ATOM 0 H PHE A 19 24.023 -5.830 -10.371 1.00 0.00 H new ATOM 0 HA PHE A 19 22.571 -7.673 -11.934 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.624 -5.623 -10.976 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.688 -4.637 -11.960 1.00 0.00 H new ATOM 0 HD1 PHE A 19 20.016 -7.232 -12.272 1.00 0.00 H new ATOM 0 HD2 PHE A 19 21.952 -3.875 -14.044 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.326 -7.199 -14.054 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.268 -3.850 -15.835 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.449 -5.507 -15.837 1.00 0.00 H new ATOM 260 N MET A 20 24.730 -5.767 -13.569 1.00 0.00 N ATOM 261 CA MET A 20 25.487 -5.659 -14.813 1.00 0.00 C ATOM 262 C MET A 20 26.388 -6.874 -14.998 1.00 0.00 C ATOM 263 O MET A 20 26.542 -7.383 -16.108 1.00 0.00 O ATOM 264 CB MET A 20 26.329 -4.380 -14.827 1.00 0.00 C ATOM 265 CG MET A 20 25.504 -3.107 -14.728 1.00 0.00 C ATOM 266 SD MET A 20 24.306 -2.948 -16.066 1.00 0.00 S ATOM 267 CE MET A 20 23.523 -1.400 -15.623 1.00 0.00 C ATOM 0 H MET A 20 24.953 -5.052 -12.876 1.00 0.00 H new ATOM 0 HA MET A 20 24.775 -5.618 -15.638 1.00 0.00 H new ATOM 0 HB2 MET A 20 27.035 -4.411 -13.997 1.00 0.00 H new ATOM 0 HB3 MET A 20 26.917 -4.352 -15.745 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.979 -3.092 -13.773 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.171 -2.245 -14.739 1.00 0.00 H new ATOM 0 HE1 MET A 20 22.470 -1.432 -15.902 1.00 0.00 H new ATOM 0 HE2 MET A 20 23.609 -1.243 -14.548 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.013 -0.581 -16.149 1.00 0.00 H new ATOM 277 N ASN A 21 26.984 -7.326 -13.898 1.00 0.00 N ATOM 278 CA ASN A 21 27.795 -8.533 -13.890 1.00 0.00 C ATOM 279 C ASN A 21 27.026 -9.705 -14.489 1.00 0.00 C ATOM 280 O ASN A 21 27.469 -10.328 -15.455 1.00 0.00 O ATOM 281 CB ASN A 21 28.192 -8.872 -12.454 1.00 0.00 C ATOM 282 CG ASN A 21 29.645 -9.256 -12.335 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.015 -10.413 -12.519 1.00 0.00 O ATOM 284 ND2 ASN A 21 30.475 -8.287 -11.987 1.00 0.00 N ATOM 0 H ASN A 21 26.917 -6.865 -12.991 1.00 0.00 H new ATOM 0 HA ASN A 21 28.686 -8.354 -14.491 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.992 -8.014 -11.812 1.00 0.00 H new ATOM 0 HB3 ASN A 21 27.571 -9.692 -12.092 1.00 0.00 H new ATOM 0 HD21 ASN A 21 31.467 -8.486 -11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 21 30.123 -7.340 -11.845 1.00 0.00 H new ATOM 291 N SER A 22 25.861 -9.983 -13.917 1.00 0.00 N ATOM 292 CA SER A 22 25.026 -11.084 -14.347 1.00 0.00 C ATOM 293 C SER A 22 24.446 -10.820 -15.739 1.00 0.00 C ATOM 294 O SER A 22 24.193 -11.752 -16.508 1.00 0.00 O ATOM 295 CB SER A 22 23.910 -11.271 -13.328 1.00 0.00 C ATOM 296 OG SER A 22 24.427 -11.274 -12.004 1.00 0.00 O ATOM 0 H SER A 22 25.473 -9.447 -13.141 1.00 0.00 H new ATOM 0 HA SER A 22 25.625 -11.992 -14.411 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.177 -10.471 -13.435 1.00 0.00 H new ATOM 0 HB3 SER A 22 23.389 -12.209 -13.521 1.00 0.00 H new ATOM 0 HG SER A 22 24.548 -10.351 -11.698 1.00 0.00 H new ATOM 302 N PHE A 23 24.244 -9.542 -16.056 1.00 0.00 N ATOM 303 CA PHE A 23 23.749 -9.134 -17.364 1.00 0.00 C ATOM 304 C PHE A 23 24.672 -9.642 -18.461 1.00 0.00 C ATOM 305 O PHE A 23 24.223 -10.279 -19.413 1.00 0.00 O ATOM 306 CB PHE A 23 23.634 -7.606 -17.438 1.00 0.00 C ATOM 307 CG PHE A 23 23.246 -7.077 -18.793 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.916 -7.032 -19.179 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.212 -6.616 -19.680 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.557 -6.540 -20.421 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.857 -6.122 -20.919 1.00 0.00 C ATOM 312 CZ PHE A 23 22.530 -6.085 -21.290 1.00 0.00 C ATOM 0 H PHE A 23 24.418 -8.767 -15.416 1.00 0.00 H new ATOM 0 HA PHE A 23 22.760 -9.568 -17.510 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.897 -7.273 -16.707 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.589 -7.167 -17.150 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.151 -7.385 -18.503 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.254 -6.645 -19.396 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.517 -6.512 -20.711 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.618 -5.765 -21.597 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.251 -5.700 -22.260 1.00 0.00 H new ATOM 322 N MET A 24 25.967 -9.381 -18.307 1.00 0.00 N ATOM 323 CA MET A 24 26.949 -9.778 -19.308 1.00 0.00 C ATOM 324 C MET A 24 27.003 -11.295 -19.427 1.00 0.00 C ATOM 325 O MET A 24 27.177 -11.834 -20.518 1.00 0.00 O ATOM 326 CB MET A 24 28.345 -9.239 -18.967 1.00 0.00 C ATOM 327 CG MET A 24 28.397 -7.740 -18.701 1.00 0.00 C ATOM 328 SD MET A 24 27.483 -6.760 -19.912 1.00 0.00 S ATOM 329 CE MET A 24 28.168 -7.346 -21.457 1.00 0.00 C ATOM 0 H MET A 24 26.359 -8.897 -17.499 1.00 0.00 H new ATOM 0 HA MET A 24 26.638 -9.350 -20.261 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.718 -9.764 -18.088 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.021 -9.473 -19.789 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.995 -7.541 -17.707 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.438 -7.416 -18.695 1.00 0.00 H new ATOM 0 HE1 MET A 24 28.268 -6.511 -22.151 1.00 0.00 H new ATOM 0 HE2 MET A 24 29.148 -7.787 -21.276 1.00 0.00 H new ATOM 0 HE3 MET A 24 27.506 -8.098 -21.887 1.00 0.00 H new ATOM 339 N GLN A 25 26.835 -11.977 -18.298 1.00 0.00 N ATOM 340 CA GLN A 25 26.845 -13.437 -18.268 1.00 0.00 C ATOM 341 C GLN A 25 25.718 -14.007 -19.125 1.00 0.00 C ATOM 342 O GLN A 25 25.896 -15.001 -19.828 1.00 0.00 O ATOM 343 CB GLN A 25 26.710 -13.941 -16.831 1.00 0.00 C ATOM 344 CG GLN A 25 27.881 -13.566 -15.937 1.00 0.00 C ATOM 345 CD GLN A 25 27.664 -13.970 -14.491 1.00 0.00 C ATOM 346 OE1 GLN A 25 26.536 -14.000 -14.004 1.00 0.00 O ATOM 347 NE2 GLN A 25 28.744 -14.286 -13.797 1.00 0.00 N ATOM 0 H GLN A 25 26.690 -11.540 -17.388 1.00 0.00 H new ATOM 0 HA GLN A 25 27.797 -13.776 -18.677 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.793 -13.540 -16.400 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.608 -15.026 -16.844 1.00 0.00 H new ATOM 0 HG2 GLN A 25 28.787 -14.043 -16.312 1.00 0.00 H new ATOM 0 HG3 GLN A 25 28.043 -12.489 -15.989 1.00 0.00 H new ATOM 0 HE21 GLN A 25 29.663 -14.248 -14.238 1.00 0.00 H new ATOM 0 HE22 GLN A 25 28.658 -14.567 -12.820 1.00 0.00 H new ATOM 356 N GLY A 26 24.558 -13.369 -19.066 1.00 0.00 N ATOM 357 CA GLY A 26 23.442 -13.800 -19.881 1.00 0.00 C ATOM 358 C GLY A 26 23.554 -13.303 -21.309 1.00 0.00 C ATOM 359 O GLY A 26 23.247 -14.025 -22.253 1.00 0.00 O ATOM 0 H GLY A 26 24.370 -12.563 -18.470 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.391 -14.889 -19.879 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.512 -13.437 -19.443 1.00 0.00 H new ATOM 363 N LEU A 27 24.022 -12.068 -21.457 1.00 0.00 N ATOM 364 CA LEU A 27 24.136 -11.419 -22.760 1.00 0.00 C ATOM 365 C LEU A 27 25.119 -12.168 -23.664 1.00 0.00 C ATOM 366 O LEU A 27 24.925 -12.250 -24.874 1.00 0.00 O ATOM 367 CB LEU A 27 24.584 -9.961 -22.564 1.00 0.00 C ATOM 368 CG LEU A 27 23.915 -8.914 -23.468 1.00 0.00 C ATOM 369 CD1 LEU A 27 24.275 -9.134 -24.922 1.00 0.00 C ATOM 370 CD2 LEU A 27 22.405 -8.931 -23.290 1.00 0.00 C ATOM 0 H LEU A 27 24.333 -11.488 -20.678 1.00 0.00 H new ATOM 0 HA LEU A 27 23.162 -11.435 -23.249 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.400 -9.684 -21.526 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.661 -9.910 -22.722 1.00 0.00 H new ATOM 0 HG LEU A 27 24.289 -7.935 -23.170 1.00 0.00 H new ATOM 0 HD11 LEU A 27 23.786 -8.378 -25.536 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.355 -9.059 -25.045 1.00 0.00 H new ATOM 0 HD13 LEU A 27 23.943 -10.124 -25.233 1.00 0.00 H new ATOM 0 HD21 LEU A 27 21.954 -8.182 -23.940 1.00 0.00 H new ATOM 0 HD22 LEU A 27 22.019 -9.917 -23.550 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.158 -8.707 -22.252 1.00 0.00 H new ATOM 382 N SER A 28 26.158 -12.737 -23.066 1.00 0.00 N ATOM 383 CA SER A 28 27.167 -13.474 -23.813 1.00 0.00 C ATOM 384 C SER A 28 26.607 -14.781 -24.371 1.00 0.00 C ATOM 385 O SER A 28 27.202 -15.398 -25.255 1.00 0.00 O ATOM 386 CB SER A 28 28.362 -13.759 -22.907 1.00 0.00 C ATOM 387 OG SER A 28 27.934 -14.157 -21.617 1.00 0.00 O ATOM 0 H SER A 28 26.324 -12.701 -22.060 1.00 0.00 H new ATOM 0 HA SER A 28 27.483 -12.863 -24.658 1.00 0.00 H new ATOM 0 HB2 SER A 28 28.979 -14.542 -23.348 1.00 0.00 H new ATOM 0 HB3 SER A 28 28.985 -12.868 -22.829 1.00 0.00 H new ATOM 0 HG SER A 28 27.936 -13.381 -21.018 1.00 0.00 H new ATOM 393 N SER A 29 25.459 -15.193 -23.857 1.00 0.00 N ATOM 394 CA SER A 29 24.831 -16.425 -24.289 1.00 0.00 C ATOM 395 C SER A 29 23.699 -16.132 -25.272 1.00 0.00 C ATOM 396 O SER A 29 22.932 -17.022 -25.637 1.00 0.00 O ATOM 397 CB SER A 29 24.300 -17.174 -23.070 1.00 0.00 C ATOM 398 OG SER A 29 25.324 -17.358 -22.102 1.00 0.00 O ATOM 0 H SER A 29 24.943 -14.687 -23.137 1.00 0.00 H new ATOM 0 HA SER A 29 25.568 -17.045 -24.799 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.473 -16.618 -22.629 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.906 -18.143 -23.377 1.00 0.00 H new ATOM 0 HG SER A 29 25.372 -16.569 -21.523 1.00 0.00 H new ATOM 404 N MET A 30 23.604 -14.878 -25.697 1.00 0.00 N ATOM 405 CA MET A 30 22.554 -14.454 -26.608 1.00 0.00 C ATOM 406 C MET A 30 23.088 -14.356 -28.034 1.00 0.00 C ATOM 407 O MET A 30 23.959 -13.533 -28.322 1.00 0.00 O ATOM 408 CB MET A 30 21.997 -13.099 -26.179 1.00 0.00 C ATOM 409 CG MET A 30 21.460 -13.059 -24.756 1.00 0.00 C ATOM 410 SD MET A 30 20.112 -14.222 -24.472 1.00 0.00 S ATOM 411 CE MET A 30 19.660 -13.807 -22.786 1.00 0.00 C ATOM 0 H MET A 30 24.246 -14.135 -25.422 1.00 0.00 H new ATOM 0 HA MET A 30 21.757 -15.197 -26.578 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.782 -12.350 -26.279 1.00 0.00 H new ATOM 0 HB3 MET A 30 21.197 -12.816 -26.864 1.00 0.00 H new ATOM 0 HG2 MET A 30 22.272 -13.277 -24.062 1.00 0.00 H new ATOM 0 HG3 MET A 30 21.113 -12.050 -24.534 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.749 -14.339 -22.512 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.466 -14.096 -22.112 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.490 -12.733 -22.709 1.00 0.00 H new ATOM 421 N PRO A 31 22.580 -15.198 -28.945 1.00 0.00 N ATOM 422 CA PRO A 31 23.000 -15.191 -30.345 1.00 0.00 C ATOM 423 C PRO A 31 22.489 -13.968 -31.103 1.00 0.00 C ATOM 424 O PRO A 31 21.302 -13.856 -31.415 1.00 0.00 O ATOM 425 CB PRO A 31 22.391 -16.470 -30.912 1.00 0.00 C ATOM 426 CG PRO A 31 21.216 -16.751 -30.041 1.00 0.00 C ATOM 427 CD PRO A 31 21.562 -16.229 -28.675 1.00 0.00 C ATOM 0 HA PRO A 31 24.085 -15.146 -30.440 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.090 -16.338 -31.951 1.00 0.00 H new ATOM 0 HB3 PRO A 31 23.106 -17.292 -30.889 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.321 -16.263 -30.427 1.00 0.00 H new ATOM 0 HG3 PRO A 31 21.006 -17.820 -30.006 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.690 -15.810 -28.173 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.951 -17.018 -28.031 1.00 0.00 H new ATOM 435 N GLY A 32 23.399 -13.055 -31.380 1.00 0.00 N ATOM 436 CA GLY A 32 23.065 -11.840 -32.093 1.00 0.00 C ATOM 437 C GLY A 32 24.120 -10.777 -31.892 1.00 0.00 C ATOM 438 O GLY A 32 24.450 -10.029 -32.813 1.00 0.00 O ATOM 0 H GLY A 32 24.382 -13.134 -31.120 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.962 -12.057 -33.156 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.100 -11.467 -31.749 1.00 0.00 H new ATOM 442 N PHE A 33 24.659 -10.715 -30.683 1.00 0.00 N ATOM 443 CA PHE A 33 25.717 -9.768 -30.371 1.00 0.00 C ATOM 444 C PHE A 33 27.080 -10.435 -30.484 1.00 0.00 C ATOM 445 O PHE A 33 27.230 -11.616 -30.174 1.00 0.00 O ATOM 446 CB PHE A 33 25.534 -9.201 -28.967 1.00 0.00 C ATOM 447 CG PHE A 33 24.349 -8.292 -28.837 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.343 -7.054 -29.456 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.247 -8.669 -28.088 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.261 -6.206 -29.327 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.161 -7.826 -27.956 1.00 0.00 C ATOM 452 CZ PHE A 33 22.169 -6.592 -28.576 1.00 0.00 C ATOM 0 H PHE A 33 24.380 -11.310 -29.903 1.00 0.00 H new ATOM 0 HA PHE A 33 25.662 -8.951 -31.090 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.428 -10.026 -28.262 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.434 -8.654 -28.685 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.194 -6.748 -30.046 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.237 -9.633 -27.602 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.269 -5.242 -29.813 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.307 -8.131 -27.369 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.322 -5.930 -28.473 1.00 0.00 H new ATOM 462 N THR A 34 28.067 -9.682 -30.942 1.00 0.00 N ATOM 463 CA THR A 34 29.424 -10.189 -31.042 1.00 0.00 C ATOM 464 C THR A 34 30.271 -9.645 -29.892 1.00 0.00 C ATOM 465 O THR A 34 29.824 -8.768 -29.147 1.00 0.00 O ATOM 466 CB THR A 34 30.060 -9.827 -32.405 1.00 0.00 C ATOM 467 OG1 THR A 34 31.367 -10.400 -32.518 1.00 0.00 O ATOM 468 CG2 THR A 34 30.143 -8.317 -32.595 1.00 0.00 C ATOM 0 H THR A 34 27.953 -8.717 -31.250 1.00 0.00 H new ATOM 0 HA THR A 34 29.388 -11.276 -30.973 1.00 0.00 H new ATOM 0 HB THR A 34 29.419 -10.238 -33.185 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.754 -10.163 -33.386 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.594 -8.096 -33.562 1.00 0.00 H new ATOM 0 HG22 THR A 34 29.141 -7.890 -32.556 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.753 -7.884 -31.802 1.00 0.00 H new ATOM 476 N ALA A 35 31.492 -10.154 -29.760 1.00 0.00 N ATOM 477 CA ALA A 35 32.372 -9.790 -28.654 1.00 0.00 C ATOM 478 C ALA A 35 32.646 -8.289 -28.626 1.00 0.00 C ATOM 479 O ALA A 35 32.720 -7.685 -27.555 1.00 0.00 O ATOM 480 CB ALA A 35 33.678 -10.563 -28.748 1.00 0.00 C ATOM 0 H ALA A 35 31.898 -10.826 -30.412 1.00 0.00 H new ATOM 0 HA ALA A 35 31.867 -10.052 -27.724 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.327 -10.283 -27.918 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.472 -11.632 -28.703 1.00 0.00 H new ATOM 0 HB3 ALA A 35 34.173 -10.328 -29.690 1.00 0.00 H new ATOM 486 N SER A 36 32.782 -7.696 -29.804 1.00 0.00 N ATOM 487 CA SER A 36 33.047 -6.268 -29.923 1.00 0.00 C ATOM 488 C SER A 36 31.891 -5.451 -29.343 1.00 0.00 C ATOM 489 O SER A 36 32.099 -4.444 -28.663 1.00 0.00 O ATOM 490 CB SER A 36 33.256 -5.920 -31.395 1.00 0.00 C ATOM 491 OG SER A 36 34.053 -6.906 -32.030 1.00 0.00 O ATOM 0 H SER A 36 32.713 -8.185 -30.696 1.00 0.00 H new ATOM 0 HA SER A 36 33.946 -6.023 -29.358 1.00 0.00 H new ATOM 0 HB2 SER A 36 32.292 -5.845 -31.897 1.00 0.00 H new ATOM 0 HB3 SER A 36 33.737 -4.945 -31.480 1.00 0.00 H new ATOM 0 HG SER A 36 34.176 -6.669 -32.973 1.00 0.00 H new ATOM 497 N GLN A 37 30.673 -5.912 -29.602 1.00 0.00 N ATOM 498 CA GLN A 37 29.480 -5.245 -29.104 1.00 0.00 C ATOM 499 C GLN A 37 29.362 -5.450 -27.601 1.00 0.00 C ATOM 500 O GLN A 37 29.016 -4.537 -26.853 1.00 0.00 O ATOM 501 CB GLN A 37 28.234 -5.796 -29.801 1.00 0.00 C ATOM 502 CG GLN A 37 28.302 -5.733 -31.318 1.00 0.00 C ATOM 503 CD GLN A 37 28.308 -4.320 -31.871 1.00 0.00 C ATOM 504 OE1 GLN A 37 28.783 -3.380 -31.234 1.00 0.00 O ATOM 505 NE2 GLN A 37 27.789 -4.171 -33.074 1.00 0.00 N ATOM 0 H GLN A 37 30.487 -6.748 -30.156 1.00 0.00 H new ATOM 0 HA GLN A 37 29.560 -4.179 -29.317 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.086 -6.832 -29.496 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.362 -5.237 -29.462 1.00 0.00 H new ATOM 0 HG2 GLN A 37 29.201 -6.249 -31.654 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.451 -6.273 -31.734 1.00 0.00 H new ATOM 0 HE21 GLN A 37 27.406 -4.977 -33.568 1.00 0.00 H new ATOM 0 HE22 GLN A 37 27.771 -3.250 -33.511 1.00 0.00 H new ATOM 514 N LEU A 38 29.681 -6.664 -27.179 1.00 0.00 N ATOM 515 CA LEU A 38 29.598 -7.062 -25.782 1.00 0.00 C ATOM 516 C LEU A 38 30.575 -6.266 -24.926 1.00 0.00 C ATOM 517 O LEU A 38 30.252 -5.860 -23.806 1.00 0.00 O ATOM 518 CB LEU A 38 29.924 -8.547 -25.668 1.00 0.00 C ATOM 519 CG LEU A 38 29.133 -9.309 -24.617 1.00 0.00 C ATOM 520 CD1 LEU A 38 27.679 -9.421 -25.044 1.00 0.00 C ATOM 521 CD2 LEU A 38 29.738 -10.682 -24.394 1.00 0.00 C ATOM 0 H LEU A 38 30.007 -7.405 -27.800 1.00 0.00 H new ATOM 0 HA LEU A 38 28.588 -6.865 -25.424 1.00 0.00 H new ATOM 0 HB2 LEU A 38 29.752 -9.015 -26.637 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.986 -8.653 -25.447 1.00 0.00 H new ATOM 0 HG LEU A 38 29.176 -8.763 -23.674 1.00 0.00 H new ATOM 0 HD11 LEU A 38 27.118 -9.968 -24.286 1.00 0.00 H new ATOM 0 HD12 LEU A 38 27.256 -8.423 -25.159 1.00 0.00 H new ATOM 0 HD13 LEU A 38 27.619 -9.952 -25.994 1.00 0.00 H new ATOM 0 HD21 LEU A 38 29.161 -11.216 -23.639 1.00 0.00 H new ATOM 0 HD22 LEU A 38 29.720 -11.243 -25.328 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.768 -10.575 -24.055 1.00 0.00 H new ATOM 533 N ASP A 39 31.771 -6.052 -25.460 1.00 0.00 N ATOM 534 CA ASP A 39 32.816 -5.338 -24.739 1.00 0.00 C ATOM 535 C ASP A 39 32.399 -3.893 -24.494 1.00 0.00 C ATOM 536 O ASP A 39 32.650 -3.334 -23.425 1.00 0.00 O ATOM 537 CB ASP A 39 34.128 -5.380 -25.517 1.00 0.00 C ATOM 538 CG ASP A 39 35.308 -4.930 -24.678 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.797 -5.733 -23.856 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.749 -3.774 -24.837 1.00 0.00 O ATOM 0 H ASP A 39 32.041 -6.364 -26.393 1.00 0.00 H new ATOM 0 HA ASP A 39 32.966 -5.829 -23.777 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.304 -6.395 -25.874 1.00 0.00 H new ATOM 0 HB3 ASP A 39 34.047 -4.742 -26.397 1.00 0.00 H new ATOM 545 N ASP A 40 31.731 -3.306 -25.482 1.00 0.00 N ATOM 546 CA ASP A 40 31.255 -1.931 -25.374 1.00 0.00 C ATOM 547 C ASP A 40 30.184 -1.850 -24.298 1.00 0.00 C ATOM 548 O ASP A 40 30.230 -0.991 -23.418 1.00 0.00 O ATOM 549 CB ASP A 40 30.684 -1.448 -26.711 1.00 0.00 C ATOM 550 CG ASP A 40 30.738 0.061 -26.851 1.00 0.00 C ATOM 551 OD1 ASP A 40 31.858 0.607 -26.966 1.00 0.00 O ATOM 552 OD2 ASP A 40 29.670 0.706 -26.873 1.00 0.00 O ATOM 0 H ASP A 40 31.507 -3.761 -26.367 1.00 0.00 H new ATOM 0 HA ASP A 40 32.095 -1.289 -25.107 1.00 0.00 H new ATOM 0 HB2 ASP A 40 31.242 -1.906 -27.528 1.00 0.00 H new ATOM 0 HB3 ASP A 40 29.651 -1.782 -26.804 1.00 0.00 H new ATOM 557 N MET A 41 29.235 -2.782 -24.372 1.00 0.00 N ATOM 558 CA MET A 41 28.163 -2.896 -23.390 1.00 0.00 C ATOM 559 C MET A 41 28.681 -2.915 -21.961 1.00 0.00 C ATOM 560 O MET A 41 28.264 -2.103 -21.136 1.00 0.00 O ATOM 561 CB MET A 41 27.371 -4.169 -23.649 1.00 0.00 C ATOM 562 CG MET A 41 26.509 -4.072 -24.878 1.00 0.00 C ATOM 563 SD MET A 41 25.626 -5.585 -25.237 1.00 0.00 S ATOM 564 CE MET A 41 24.863 -5.074 -26.762 1.00 0.00 C ATOM 0 H MET A 41 29.190 -3.479 -25.116 1.00 0.00 H new ATOM 0 HA MET A 41 27.529 -2.016 -23.500 1.00 0.00 H new ATOM 0 HB2 MET A 41 28.061 -5.006 -23.758 1.00 0.00 H new ATOM 0 HB3 MET A 41 26.743 -4.384 -22.785 1.00 0.00 H new ATOM 0 HG2 MET A 41 25.792 -3.262 -24.748 1.00 0.00 H new ATOM 0 HG3 MET A 41 27.133 -3.811 -25.733 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.911 -5.591 -26.884 1.00 0.00 H new ATOM 0 HE2 MET A 41 24.691 -3.998 -26.740 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.519 -5.319 -27.597 1.00 0.00 H new ATOM 574 N SER A 42 29.603 -3.831 -21.683 1.00 0.00 N ATOM 575 CA SER A 42 30.096 -4.032 -20.327 1.00 0.00 C ATOM 576 C SER A 42 30.702 -2.744 -19.788 1.00 0.00 C ATOM 577 O SER A 42 30.453 -2.354 -18.646 1.00 0.00 O ATOM 578 CB SER A 42 31.134 -5.162 -20.292 1.00 0.00 C ATOM 579 OG SER A 42 31.452 -5.531 -18.959 1.00 0.00 O ATOM 0 H SER A 42 30.023 -4.446 -22.380 1.00 0.00 H new ATOM 0 HA SER A 42 29.255 -4.315 -19.694 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.749 -6.029 -20.829 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.039 -4.843 -20.809 1.00 0.00 H new ATOM 0 HG SER A 42 32.114 -6.253 -18.969 1.00 0.00 H new ATOM 585 N THR A 43 31.467 -2.072 -20.633 1.00 0.00 N ATOM 586 CA THR A 43 32.150 -0.850 -20.246 1.00 0.00 C ATOM 587 C THR A 43 31.161 0.290 -19.990 1.00 0.00 C ATOM 588 O THR A 43 31.261 0.991 -18.981 1.00 0.00 O ATOM 589 CB THR A 43 33.159 -0.434 -21.328 1.00 0.00 C ATOM 590 OG1 THR A 43 34.039 -1.531 -21.603 1.00 0.00 O ATOM 591 CG2 THR A 43 33.971 0.771 -20.878 1.00 0.00 C ATOM 0 H THR A 43 31.631 -2.356 -21.599 1.00 0.00 H new ATOM 0 HA THR A 43 32.682 -1.051 -19.316 1.00 0.00 H new ATOM 0 HB THR A 43 32.611 -0.162 -22.230 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.605 -2.150 -22.226 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.678 1.046 -21.661 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.301 1.609 -20.683 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.516 0.523 -19.967 1.00 0.00 H new ATOM 599 N ILE A 44 30.196 0.459 -20.890 1.00 0.00 N ATOM 600 CA ILE A 44 29.193 1.510 -20.737 1.00 0.00 C ATOM 601 C ILE A 44 28.342 1.243 -19.506 1.00 0.00 C ATOM 602 O ILE A 44 27.995 2.161 -18.757 1.00 0.00 O ATOM 603 CB ILE A 44 28.275 1.627 -21.970 1.00 0.00 C ATOM 604 CG1 ILE A 44 29.096 1.925 -23.225 1.00 0.00 C ATOM 605 CG2 ILE A 44 27.235 2.713 -21.747 1.00 0.00 C ATOM 606 CD1 ILE A 44 29.955 3.168 -23.110 1.00 0.00 C ATOM 0 H ILE A 44 30.087 -0.113 -21.727 1.00 0.00 H new ATOM 0 HA ILE A 44 29.732 2.451 -20.628 1.00 0.00 H new ATOM 0 HB ILE A 44 27.763 0.675 -22.114 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.737 1.070 -23.441 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.420 2.038 -24.072 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.592 2.787 -22.624 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.631 2.465 -20.874 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.735 3.667 -21.582 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.508 3.315 -24.038 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.319 4.034 -22.925 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.657 3.050 -22.284 1.00 0.00 H new ATOM 618 N ALA A 45 28.021 -0.025 -19.303 1.00 0.00 N ATOM 619 CA ALA A 45 27.292 -0.452 -18.121 1.00 0.00 C ATOM 620 C ALA A 45 28.030 -0.026 -16.858 1.00 0.00 C ATOM 621 O ALA A 45 27.417 0.428 -15.894 1.00 0.00 O ATOM 622 CB ALA A 45 27.091 -1.962 -18.137 1.00 0.00 C ATOM 0 H ALA A 45 28.256 -0.780 -19.947 1.00 0.00 H new ATOM 0 HA ALA A 45 26.313 0.027 -18.127 1.00 0.00 H new ATOM 0 HB1 ALA A 45 26.543 -2.266 -17.245 1.00 0.00 H new ATOM 0 HB2 ALA A 45 26.524 -2.244 -19.024 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.061 -2.458 -18.153 1.00 0.00 H new ATOM 628 N GLN A 46 29.357 -0.137 -16.883 1.00 0.00 N ATOM 629 CA GLN A 46 30.172 0.250 -15.738 1.00 0.00 C ATOM 630 C GLN A 46 30.084 1.752 -15.495 1.00 0.00 C ATOM 631 O GLN A 46 30.081 2.200 -14.351 1.00 0.00 O ATOM 632 CB GLN A 46 31.645 -0.146 -15.929 1.00 0.00 C ATOM 633 CG GLN A 46 31.894 -1.642 -16.079 1.00 0.00 C ATOM 634 CD GLN A 46 31.027 -2.490 -15.169 1.00 0.00 C ATOM 635 OE1 GLN A 46 31.363 -2.732 -14.011 1.00 0.00 O ATOM 636 NE2 GLN A 46 29.922 -2.983 -15.707 1.00 0.00 N ATOM 0 H GLN A 46 29.886 -0.490 -17.680 1.00 0.00 H new ATOM 0 HA GLN A 46 29.778 -0.283 -14.873 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.031 0.362 -16.813 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.218 0.219 -15.076 1.00 0.00 H new ATOM 0 HG2 GLN A 46 31.713 -1.931 -17.114 1.00 0.00 H new ATOM 0 HG3 GLN A 46 32.943 -1.851 -15.868 1.00 0.00 H new ATOM 0 HE21 GLN A 46 29.680 -2.757 -16.672 1.00 0.00 H new ATOM 0 HE22 GLN A 46 29.313 -3.588 -15.157 1.00 0.00 H new ATOM 645 N SER A 47 29.980 2.524 -16.573 1.00 0.00 N ATOM 646 CA SER A 47 29.982 3.977 -16.471 1.00 0.00 C ATOM 647 C SER A 47 28.781 4.467 -15.665 1.00 0.00 C ATOM 648 O SER A 47 28.914 5.319 -14.781 1.00 0.00 O ATOM 649 CB SER A 47 29.983 4.603 -17.870 1.00 0.00 C ATOM 650 OG SER A 47 30.142 6.012 -17.805 1.00 0.00 O ATOM 0 H SER A 47 29.894 2.167 -17.525 1.00 0.00 H new ATOM 0 HA SER A 47 30.887 4.285 -15.948 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.789 4.171 -18.463 1.00 0.00 H new ATOM 0 HB3 SER A 47 29.049 4.363 -18.378 1.00 0.00 H new ATOM 0 HG SER A 47 30.140 6.384 -18.712 1.00 0.00 H new ATOM 656 N MET A 48 27.611 3.908 -15.948 1.00 0.00 N ATOM 657 CA MET A 48 26.400 4.319 -15.252 1.00 0.00 C ATOM 658 C MET A 48 26.411 3.800 -13.814 1.00 0.00 C ATOM 659 O MET A 48 25.891 4.450 -12.911 1.00 0.00 O ATOM 660 CB MET A 48 25.147 3.870 -16.019 1.00 0.00 C ATOM 661 CG MET A 48 24.864 2.377 -15.975 1.00 0.00 C ATOM 662 SD MET A 48 23.922 1.883 -14.517 1.00 0.00 S ATOM 663 CE MET A 48 22.438 2.867 -14.723 1.00 0.00 C ATOM 0 H MET A 48 27.476 3.177 -16.647 1.00 0.00 H new ATOM 0 HA MET A 48 26.372 5.408 -15.208 1.00 0.00 H new ATOM 0 HB2 MET A 48 24.284 4.400 -15.616 1.00 0.00 H new ATOM 0 HB3 MET A 48 25.249 4.174 -17.061 1.00 0.00 H new ATOM 0 HG2 MET A 48 24.314 2.090 -16.871 1.00 0.00 H new ATOM 0 HG3 MET A 48 25.808 1.833 -15.993 1.00 0.00 H new ATOM 0 HE1 MET A 48 21.640 2.455 -14.105 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.638 3.895 -14.420 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.132 2.850 -15.769 1.00 0.00 H new ATOM 673 N VAL A 49 27.039 2.643 -13.597 1.00 0.00 N ATOM 674 CA VAL A 49 27.191 2.103 -12.248 1.00 0.00 C ATOM 675 C VAL A 49 28.118 2.988 -11.418 1.00 0.00 C ATOM 676 O VAL A 49 27.845 3.259 -10.247 1.00 0.00 O ATOM 677 CB VAL A 49 27.733 0.654 -12.258 1.00 0.00 C ATOM 678 CG1 VAL A 49 28.001 0.158 -10.842 1.00 0.00 C ATOM 679 CG2 VAL A 49 26.755 -0.274 -12.957 1.00 0.00 C ATOM 0 H VAL A 49 27.447 2.067 -14.333 1.00 0.00 H new ATOM 0 HA VAL A 49 26.198 2.088 -11.799 1.00 0.00 H new ATOM 0 HB VAL A 49 28.676 0.654 -12.805 1.00 0.00 H new ATOM 0 HG11 VAL A 49 28.381 -0.863 -10.880 1.00 0.00 H new ATOM 0 HG12 VAL A 49 28.739 0.802 -10.364 1.00 0.00 H new ATOM 0 HG13 VAL A 49 27.075 0.179 -10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 49 27.152 -1.289 -12.955 1.00 0.00 H new ATOM 0 HG22 VAL A 49 25.799 -0.257 -12.433 1.00 0.00 H new ATOM 0 HG23 VAL A 49 26.611 0.057 -13.985 1.00 0.00 H new ATOM 689 N GLN A 50 29.207 3.452 -12.032 1.00 0.00 N ATOM 690 CA GLN A 50 30.151 4.340 -11.357 1.00 0.00 C ATOM 691 C GLN A 50 29.464 5.632 -10.935 1.00 0.00 C ATOM 692 O GLN A 50 29.823 6.242 -9.927 1.00 0.00 O ATOM 693 CB GLN A 50 31.348 4.660 -12.252 1.00 0.00 C ATOM 694 CG GLN A 50 32.214 3.451 -12.559 1.00 0.00 C ATOM 695 CD GLN A 50 32.775 2.790 -11.314 1.00 0.00 C ATOM 696 OE1 GLN A 50 33.851 3.146 -10.834 1.00 0.00 O ATOM 697 NE2 GLN A 50 32.055 1.809 -10.795 1.00 0.00 N ATOM 0 H GLN A 50 29.456 3.227 -12.995 1.00 0.00 H new ATOM 0 HA GLN A 50 30.513 3.821 -10.469 1.00 0.00 H new ATOM 0 HB2 GLN A 50 30.988 5.086 -13.188 1.00 0.00 H new ATOM 0 HB3 GLN A 50 31.960 5.422 -11.769 1.00 0.00 H new ATOM 0 HG2 GLN A 50 31.626 2.722 -13.116 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.038 3.756 -13.204 1.00 0.00 H new ATOM 0 HE21 GLN A 50 31.168 1.545 -11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 50 32.387 1.316 -9.966 1.00 0.00 H new ATOM 706 N SER A 51 28.459 6.032 -11.702 1.00 0.00 N ATOM 707 CA SER A 51 27.694 7.224 -11.392 1.00 0.00 C ATOM 708 C SER A 51 26.830 6.977 -10.158 1.00 0.00 C ATOM 709 O SER A 51 26.690 7.842 -9.295 1.00 0.00 O ATOM 710 CB SER A 51 26.827 7.615 -12.589 1.00 0.00 C ATOM 711 OG SER A 51 27.622 7.780 -13.754 1.00 0.00 O ATOM 0 H SER A 51 28.157 5.544 -12.545 1.00 0.00 H new ATOM 0 HA SER A 51 28.377 8.046 -11.179 1.00 0.00 H new ATOM 0 HB2 SER A 51 26.073 6.848 -12.764 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.295 8.541 -12.372 1.00 0.00 H new ATOM 0 HG SER A 51 27.980 6.911 -14.032 1.00 0.00 H new ATOM 717 N ILE A 52 26.280 5.770 -10.071 1.00 0.00 N ATOM 718 CA ILE A 52 25.457 5.373 -8.936 1.00 0.00 C ATOM 719 C ILE A 52 26.300 5.264 -7.668 1.00 0.00 C ATOM 720 O ILE A 52 25.839 5.601 -6.574 1.00 0.00 O ATOM 721 CB ILE A 52 24.757 4.027 -9.207 1.00 0.00 C ATOM 722 CG1 ILE A 52 23.864 4.145 -10.441 1.00 0.00 C ATOM 723 CG2 ILE A 52 23.948 3.591 -7.996 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.294 2.826 -10.909 1.00 0.00 C ATOM 0 H ILE A 52 26.391 5.045 -10.780 1.00 0.00 H new ATOM 0 HA ILE A 52 24.698 6.143 -8.794 1.00 0.00 H new ATOM 0 HB ILE A 52 25.515 3.267 -9.396 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.043 4.827 -10.220 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.439 4.590 -11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.461 2.639 -8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.610 3.478 -7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.191 4.344 -7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 52 22.671 2.990 -11.788 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.108 2.147 -11.163 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.691 2.388 -10.114 1.00 0.00 H new ATOM 736 N GLN A 53 27.539 4.799 -7.830 1.00 0.00 N ATOM 737 CA GLN A 53 28.487 4.701 -6.722 1.00 0.00 C ATOM 738 C GLN A 53 28.552 6.019 -5.961 1.00 0.00 C ATOM 739 O GLN A 53 28.374 6.058 -4.746 1.00 0.00 O ATOM 740 CB GLN A 53 29.886 4.345 -7.235 1.00 0.00 C ATOM 741 CG GLN A 53 29.981 2.985 -7.909 1.00 0.00 C ATOM 742 CD GLN A 53 29.712 1.834 -6.960 1.00 0.00 C ATOM 743 OE1 GLN A 53 29.967 1.924 -5.760 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.208 0.734 -7.493 1.00 0.00 N ATOM 0 H GLN A 53 27.911 4.482 -8.726 1.00 0.00 H new ATOM 0 HA GLN A 53 28.141 3.913 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.206 5.110 -7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.584 4.372 -6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.269 2.943 -8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 53 30.975 2.868 -8.341 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.009 0.696 -8.493 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.018 -0.077 -6.904 1.00 0.00 H new ATOM 753 N SER A 54 28.777 7.096 -6.697 1.00 0.00 N ATOM 754 CA SER A 54 28.879 8.423 -6.106 1.00 0.00 C ATOM 755 C SER A 54 27.506 8.934 -5.691 1.00 0.00 C ATOM 756 O SER A 54 27.356 9.591 -4.659 1.00 0.00 O ATOM 757 CB SER A 54 29.503 9.390 -7.108 1.00 0.00 C ATOM 758 OG SER A 54 30.686 8.848 -7.670 1.00 0.00 O ATOM 0 H SER A 54 28.893 7.077 -7.710 1.00 0.00 H new ATOM 0 HA SER A 54 29.510 8.358 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.788 9.610 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.731 10.334 -6.614 1.00 0.00 H new ATOM 0 HG SER A 54 31.066 9.486 -8.310 1.00 0.00 H new ATOM 764 N LEU A 55 26.506 8.615 -6.501 1.00 0.00 N ATOM 765 CA LEU A 55 25.145 9.078 -6.281 1.00 0.00 C ATOM 766 C LEU A 55 24.640 8.674 -4.898 1.00 0.00 C ATOM 767 O LEU A 55 24.153 9.511 -4.133 1.00 0.00 O ATOM 768 CB LEU A 55 24.229 8.505 -7.363 1.00 0.00 C ATOM 769 CG LEU A 55 22.815 9.076 -7.397 1.00 0.00 C ATOM 770 CD1 LEU A 55 22.843 10.555 -7.747 1.00 0.00 C ATOM 771 CD2 LEU A 55 21.956 8.305 -8.389 1.00 0.00 C ATOM 0 H LEU A 55 26.616 8.028 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 55 25.138 10.167 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.694 8.674 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 55 24.163 7.426 -7.224 1.00 0.00 H new ATOM 0 HG LEU A 55 22.375 8.970 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 55 21.825 10.944 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.424 11.095 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 55 23.301 10.688 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.950 8.724 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.393 8.380 -9.385 1.00 0.00 H new ATOM 0 HD23 LEU A 55 21.909 7.257 -8.092 1.00 0.00 H new ATOM 783 N ALA A 56 24.792 7.398 -4.572 1.00 0.00 N ATOM 784 CA ALA A 56 24.303 6.865 -3.307 1.00 0.00 C ATOM 785 C ALA A 56 25.313 7.070 -2.182 1.00 0.00 C ATOM 786 O ALA A 56 25.053 6.717 -1.034 1.00 0.00 O ATOM 787 CB ALA A 56 23.968 5.391 -3.457 1.00 0.00 C ATOM 0 H ALA A 56 25.252 6.710 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 56 23.399 7.412 -3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 56 23.603 5.002 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 56 23.198 5.269 -4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 56 24.862 4.843 -3.754 1.00 0.00 H new ATOM 793 N ALA A 57 26.453 7.664 -2.504 1.00 0.00 N ATOM 794 CA ALA A 57 27.485 7.901 -1.510 1.00 0.00 C ATOM 795 C ALA A 57 27.381 9.323 -1.006 1.00 0.00 C ATOM 796 O ALA A 57 27.658 9.611 0.156 1.00 0.00 O ATOM 797 CB ALA A 57 28.866 7.652 -2.088 1.00 0.00 C ATOM 0 H ALA A 57 26.685 7.989 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 57 27.337 7.208 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 57 29.620 7.837 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 57 28.938 6.618 -2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.034 8.322 -2.931 1.00 0.00 H new ATOM 803 N GLN A 58 26.976 10.210 -1.900 1.00 0.00 N ATOM 804 CA GLN A 58 26.834 11.612 -1.572 1.00 0.00 C ATOM 805 C GLN A 58 25.400 11.943 -1.163 1.00 0.00 C ATOM 806 O GLN A 58 25.077 13.096 -0.886 1.00 0.00 O ATOM 807 CB GLN A 58 27.264 12.470 -2.760 1.00 0.00 C ATOM 808 CG GLN A 58 28.738 12.320 -3.100 1.00 0.00 C ATOM 809 CD GLN A 58 29.135 13.045 -4.371 1.00 0.00 C ATOM 810 OE1 GLN A 58 28.227 13.113 -5.333 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 30.261 13.524 -4.495 1.00 0.00 N flip ATOM 0 H GLN A 58 26.739 9.978 -2.865 1.00 0.00 H new ATOM 0 HA GLN A 58 27.479 11.832 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.667 12.200 -3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 58 27.052 13.516 -2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 58 29.336 12.699 -2.271 1.00 0.00 H new ATOM 0 HG3 GLN A 58 28.974 11.261 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 58 30.933 13.451 -3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 58 30.523 13.994 -5.362 1.00 0.00 H new ATOM 820 N GLY A 59 24.548 10.922 -1.135 1.00 0.00 N ATOM 821 CA GLY A 59 23.159 11.111 -0.751 1.00 0.00 C ATOM 822 C GLY A 59 22.425 12.062 -1.676 1.00 0.00 C ATOM 823 O GLY A 59 21.726 12.970 -1.225 1.00 0.00 O ATOM 0 H GLY A 59 24.796 9.962 -1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.651 10.146 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.116 11.495 0.268 1.00 0.00 H new ATOM 827 N ARG A 60 22.588 11.858 -2.973 1.00 0.00 N ATOM 828 CA ARG A 60 21.969 12.728 -3.963 1.00 0.00 C ATOM 829 C ARG A 60 21.102 11.912 -4.914 1.00 0.00 C ATOM 830 O ARG A 60 20.795 12.343 -6.028 1.00 0.00 O ATOM 831 CB ARG A 60 23.042 13.496 -4.731 1.00 0.00 C ATOM 832 CG ARG A 60 23.898 14.370 -3.831 1.00 0.00 C ATOM 833 CD ARG A 60 24.764 15.314 -4.635 1.00 0.00 C ATOM 834 NE ARG A 60 25.652 16.103 -3.780 1.00 0.00 N ATOM 835 CZ ARG A 60 26.837 16.579 -4.169 1.00 0.00 C ATOM 836 NH1 ARG A 60 27.255 16.395 -5.414 1.00 0.00 N ATOM 837 NH2 ARG A 60 27.595 17.262 -3.318 1.00 0.00 N ATOM 0 H ARG A 60 23.143 11.098 -3.366 1.00 0.00 H new ATOM 0 HA ARG A 60 21.330 13.448 -3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.682 12.788 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.565 14.119 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 60 23.256 14.944 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 60 24.529 13.740 -3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 60 25.359 14.743 -5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 60 24.129 15.984 -5.215 1.00 0.00 H new ATOM 0 HE ARG A 60 25.346 16.302 -2.827 1.00 0.00 H new ATOM 0 HH11 ARG A 60 26.670 15.888 -6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 60 28.161 16.760 -5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 60 27.272 17.424 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 60 28.500 17.624 -3.619 1.00 0.00 H new ATOM 851 N THR A 61 20.702 10.736 -4.452 1.00 0.00 N ATOM 852 CA THR A 61 19.896 9.815 -5.240 1.00 0.00 C ATOM 853 C THR A 61 18.447 10.292 -5.337 1.00 0.00 C ATOM 854 O THR A 61 17.569 9.831 -4.605 1.00 0.00 O ATOM 855 CB THR A 61 19.932 8.410 -4.607 1.00 0.00 C ATOM 856 OG1 THR A 61 21.251 8.143 -4.107 1.00 0.00 O ATOM 857 CG2 THR A 61 19.555 7.341 -5.617 1.00 0.00 C ATOM 0 H THR A 61 20.928 10.393 -3.518 1.00 0.00 H new ATOM 0 HA THR A 61 20.316 9.777 -6.245 1.00 0.00 H new ATOM 0 HB THR A 61 19.208 8.386 -3.793 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.273 7.250 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 61 19.590 6.361 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 61 18.547 7.529 -5.987 1.00 0.00 H new ATOM 0 HG23 THR A 61 20.257 7.364 -6.450 1.00 0.00 H new ATOM 865 N SER A 62 18.213 11.251 -6.214 1.00 0.00 N ATOM 866 CA SER A 62 16.872 11.729 -6.482 1.00 0.00 C ATOM 867 C SER A 62 16.284 10.948 -7.656 1.00 0.00 C ATOM 868 O SER A 62 16.998 10.640 -8.606 1.00 0.00 O ATOM 869 CB SER A 62 16.908 13.224 -6.799 1.00 0.00 C ATOM 870 OG SER A 62 17.647 13.938 -5.820 1.00 0.00 O ATOM 0 H SER A 62 18.941 11.716 -6.756 1.00 0.00 H new ATOM 0 HA SER A 62 16.245 11.577 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.355 13.380 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.891 13.613 -6.846 1.00 0.00 H new ATOM 0 HG SER A 62 17.656 14.891 -6.048 1.00 0.00 H new ATOM 876 N PRO A 63 14.986 10.601 -7.601 1.00 0.00 N ATOM 877 CA PRO A 63 14.321 9.809 -8.652 1.00 0.00 C ATOM 878 C PRO A 63 14.530 10.366 -10.064 1.00 0.00 C ATOM 879 O PRO A 63 14.595 9.600 -11.025 1.00 0.00 O ATOM 880 CB PRO A 63 12.842 9.876 -8.265 1.00 0.00 C ATOM 881 CG PRO A 63 12.847 10.091 -6.791 1.00 0.00 C ATOM 882 CD PRO A 63 14.062 10.928 -6.496 1.00 0.00 C ATOM 0 HA PRO A 63 14.727 8.798 -8.699 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.334 10.690 -8.782 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.321 8.956 -8.529 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.937 10.597 -6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.890 9.141 -6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.821 11.991 -6.476 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.493 10.681 -5.526 1.00 0.00 H new ATOM 890 N ASN A 64 14.649 11.689 -10.191 1.00 0.00 N ATOM 891 CA ASN A 64 14.898 12.310 -11.498 1.00 0.00 C ATOM 892 C ASN A 64 16.205 11.798 -12.102 1.00 0.00 C ATOM 893 O ASN A 64 16.326 11.645 -13.316 1.00 0.00 O ATOM 894 CB ASN A 64 14.936 13.846 -11.407 1.00 0.00 C ATOM 895 CG ASN A 64 16.007 14.382 -10.465 1.00 0.00 C ATOM 896 OD1 ASN A 64 17.177 14.508 -10.829 1.00 0.00 O ATOM 897 ND2 ASN A 64 15.607 14.730 -9.254 1.00 0.00 N ATOM 0 H ASN A 64 14.578 12.347 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 64 14.067 12.029 -12.146 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.104 14.255 -12.403 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.962 14.205 -11.075 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.275 15.117 -8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.630 14.612 -8.986 1.00 0.00 H new ATOM 904 N LYS A 65 17.165 11.502 -11.238 1.00 0.00 N ATOM 905 CA LYS A 65 18.469 11.020 -11.664 1.00 0.00 C ATOM 906 C LYS A 65 18.349 9.590 -12.161 1.00 0.00 C ATOM 907 O LYS A 65 19.000 9.184 -13.120 1.00 0.00 O ATOM 908 CB LYS A 65 19.443 11.091 -10.494 1.00 0.00 C ATOM 909 CG LYS A 65 19.395 12.435 -9.809 1.00 0.00 C ATOM 910 CD LYS A 65 20.773 12.997 -9.567 1.00 0.00 C ATOM 911 CE LYS A 65 20.684 14.463 -9.201 1.00 0.00 C ATOM 912 NZ LYS A 65 20.020 15.265 -10.266 1.00 0.00 N ATOM 0 H LYS A 65 17.062 11.589 -10.227 1.00 0.00 H new ATOM 0 HA LYS A 65 18.842 11.644 -12.476 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.206 10.307 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 65 20.455 10.900 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.821 13.132 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.871 12.338 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 65 21.263 12.444 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 65 21.385 12.874 -10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 65 20.131 14.571 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 65 21.686 14.854 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 20.229 16.274 -10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 20.375 14.967 -11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.992 15.115 -10.223 1.00 0.00 H new ATOM 926 N LEU A 66 17.473 8.850 -11.501 1.00 0.00 N ATOM 927 CA LEU A 66 17.246 7.444 -11.793 1.00 0.00 C ATOM 928 C LEU A 66 16.430 7.298 -13.072 1.00 0.00 C ATOM 929 O LEU A 66 16.621 6.358 -13.846 1.00 0.00 O ATOM 930 CB LEU A 66 16.530 6.777 -10.608 1.00 0.00 C ATOM 931 CG LEU A 66 17.408 6.480 -9.375 1.00 0.00 C ATOM 932 CD1 LEU A 66 18.215 7.692 -8.940 1.00 0.00 C ATOM 933 CD2 LEU A 66 16.558 5.996 -8.213 1.00 0.00 C ATOM 0 H LEU A 66 16.895 9.211 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 66 18.205 6.948 -11.944 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.706 7.419 -10.298 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.092 5.840 -10.953 1.00 0.00 H new ATOM 0 HG LEU A 66 18.106 5.696 -9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.817 7.434 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 66 18.869 8.005 -9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 66 17.538 8.507 -8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.198 5.793 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.830 6.764 -7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.035 5.084 -8.500 1.00 0.00 H new ATOM 945 N GLN A 67 15.525 8.244 -13.284 1.00 0.00 N ATOM 946 CA GLN A 67 14.750 8.315 -14.515 1.00 0.00 C ATOM 947 C GLN A 67 15.675 8.577 -15.700 1.00 0.00 C ATOM 948 O GLN A 67 15.512 8.000 -16.777 1.00 0.00 O ATOM 949 CB GLN A 67 13.709 9.430 -14.410 1.00 0.00 C ATOM 950 CG GLN A 67 12.869 9.608 -15.664 1.00 0.00 C ATOM 951 CD GLN A 67 11.967 10.819 -15.576 1.00 0.00 C ATOM 952 OE1 GLN A 67 10.827 10.730 -15.118 1.00 0.00 O ATOM 953 NE2 GLN A 67 12.475 11.963 -16.008 1.00 0.00 N ATOM 0 H GLN A 67 15.308 8.980 -12.612 1.00 0.00 H new ATOM 0 HA GLN A 67 14.240 7.364 -14.668 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.049 9.219 -13.569 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.217 10.369 -14.189 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.525 9.707 -16.529 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.263 8.716 -15.824 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.424 11.991 -16.380 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.917 12.816 -15.969 1.00 0.00 H new ATOM 962 N ALA A 68 16.650 9.452 -15.490 1.00 0.00 N ATOM 963 CA ALA A 68 17.624 9.772 -16.522 1.00 0.00 C ATOM 964 C ALA A 68 18.499 8.561 -16.839 1.00 0.00 C ATOM 965 O ALA A 68 18.908 8.358 -17.984 1.00 0.00 O ATOM 966 CB ALA A 68 18.470 10.960 -16.092 1.00 0.00 C ATOM 0 H ALA A 68 16.786 9.953 -14.612 1.00 0.00 H new ATOM 0 HA ALA A 68 17.090 10.041 -17.433 1.00 0.00 H new ATOM 0 HB1 ALA A 68 19.196 11.191 -16.872 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.827 11.824 -15.927 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.995 10.717 -15.168 1.00 0.00 H new ATOM 972 N LEU A 69 18.765 7.748 -15.822 1.00 0.00 N ATOM 973 CA LEU A 69 19.536 6.525 -16.006 1.00 0.00 C ATOM 974 C LEU A 69 18.781 5.542 -16.895 1.00 0.00 C ATOM 975 O LEU A 69 19.388 4.798 -17.659 1.00 0.00 O ATOM 976 CB LEU A 69 19.851 5.871 -14.657 1.00 0.00 C ATOM 977 CG LEU A 69 20.728 6.698 -13.712 1.00 0.00 C ATOM 978 CD1 LEU A 69 20.953 5.951 -12.405 1.00 0.00 C ATOM 979 CD2 LEU A 69 22.061 7.030 -14.368 1.00 0.00 C ATOM 0 H LEU A 69 18.458 7.914 -14.863 1.00 0.00 H new ATOM 0 HA LEU A 69 20.474 6.791 -16.492 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.911 5.650 -14.152 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.345 4.917 -14.842 1.00 0.00 H new ATOM 0 HG LEU A 69 20.210 7.632 -13.495 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.578 6.553 -11.745 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.993 5.763 -11.924 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.449 5.002 -12.609 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.669 7.618 -13.680 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.584 6.107 -14.616 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.886 7.604 -15.278 1.00 0.00 H new ATOM 991 N ASN A 70 17.456 5.566 -16.801 1.00 0.00 N ATOM 992 CA ASN A 70 16.597 4.693 -17.605 1.00 0.00 C ATOM 993 C ASN A 70 16.840 4.938 -19.091 1.00 0.00 C ATOM 994 O ASN A 70 17.126 4.013 -19.852 1.00 0.00 O ATOM 995 CB ASN A 70 15.125 4.969 -17.272 1.00 0.00 C ATOM 996 CG ASN A 70 14.149 4.088 -18.030 1.00 0.00 C ATOM 997 OD1 ASN A 70 13.645 3.060 -17.366 1.00 0.00 O flip ATOM 998 ND2 ASN A 70 13.814 4.359 -19.182 1.00 0.00 N flip ATOM 0 H ASN A 70 16.946 6.185 -16.171 1.00 0.00 H new ATOM 0 HA ASN A 70 16.834 3.654 -17.374 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.972 4.828 -16.202 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.902 6.013 -17.491 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.227 5.161 -19.658 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.123 3.782 -19.661 1.00 0.00 H new ATOM 1005 N MET A 71 16.752 6.205 -19.477 1.00 0.00 N ATOM 1006 CA MET A 71 16.885 6.604 -20.873 1.00 0.00 C ATOM 1007 C MET A 71 18.309 6.410 -21.373 1.00 0.00 C ATOM 1008 O MET A 71 18.530 5.821 -22.433 1.00 0.00 O ATOM 1009 CB MET A 71 16.471 8.065 -21.032 1.00 0.00 C ATOM 1010 CG MET A 71 15.008 8.303 -20.716 1.00 0.00 C ATOM 1011 SD MET A 71 14.561 10.050 -20.725 1.00 0.00 S ATOM 1012 CE MET A 71 15.514 10.636 -19.327 1.00 0.00 C ATOM 0 H MET A 71 16.587 6.981 -18.836 1.00 0.00 H new ATOM 0 HA MET A 71 16.231 5.970 -21.472 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.084 8.684 -20.377 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.673 8.385 -22.054 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.394 7.773 -21.444 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.780 7.880 -19.738 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.228 11.662 -19.096 1.00 0.00 H new ATOM 0 HE2 MET A 71 15.319 10.002 -18.462 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.576 10.601 -19.570 1.00 0.00 H new ATOM 1022 N ARG A 72 19.267 6.911 -20.603 1.00 0.00 N ATOM 1023 CA ARG A 72 20.681 6.793 -20.952 1.00 0.00 C ATOM 1024 C ARG A 72 21.092 5.336 -21.147 1.00 0.00 C ATOM 1025 O ARG A 72 21.719 4.991 -22.148 1.00 0.00 O ATOM 1026 CB ARG A 72 21.554 7.441 -19.876 1.00 0.00 C ATOM 1027 CG ARG A 72 21.743 8.938 -20.059 1.00 0.00 C ATOM 1028 CD ARG A 72 22.458 9.555 -18.867 1.00 0.00 C ATOM 1029 NE ARG A 72 23.097 10.830 -19.201 1.00 0.00 N ATOM 1030 CZ ARG A 72 22.919 11.964 -18.518 1.00 0.00 C ATOM 1031 NH1 ARG A 72 22.047 12.020 -17.515 1.00 0.00 N ATOM 1032 NH2 ARG A 72 23.599 13.053 -18.856 1.00 0.00 N ATOM 0 H ARG A 72 19.091 7.405 -19.728 1.00 0.00 H new ATOM 0 HA ARG A 72 20.829 7.315 -21.897 1.00 0.00 H new ATOM 0 HB2 ARG A 72 21.107 7.257 -18.899 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.531 6.958 -19.875 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.316 9.126 -20.967 1.00 0.00 H new ATOM 0 HG3 ARG A 72 20.772 9.416 -20.191 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.744 9.710 -18.058 1.00 0.00 H new ATOM 0 HD3 ARG A 72 23.212 8.859 -18.498 1.00 0.00 H new ATOM 0 HE ARG A 72 23.719 10.853 -20.009 1.00 0.00 H new ATOM 0 HH11 ARG A 72 21.507 11.192 -17.262 1.00 0.00 H new ATOM 0 HH12 ARG A 72 21.918 12.891 -16.999 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.256 13.023 -19.636 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.465 13.920 -18.336 1.00 0.00 H new ATOM 1046 N PHE A 73 20.721 4.488 -20.194 1.00 0.00 N ATOM 1047 CA PHE A 73 21.053 3.067 -20.243 1.00 0.00 C ATOM 1048 C PHE A 73 20.509 2.420 -21.519 1.00 0.00 C ATOM 1049 O PHE A 73 21.241 1.739 -22.241 1.00 0.00 O ATOM 1050 CB PHE A 73 20.496 2.377 -18.990 1.00 0.00 C ATOM 1051 CG PHE A 73 20.645 0.882 -18.961 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.896 0.287 -18.987 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.523 0.074 -18.891 1.00 0.00 C ATOM 1054 CE1 PHE A 73 22.024 -1.090 -18.944 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.641 -1.300 -18.846 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.894 -1.885 -18.873 1.00 0.00 C ATOM 0 H PHE A 73 20.185 4.763 -19.371 1.00 0.00 H new ATOM 0 HA PHE A 73 22.137 2.951 -20.262 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.995 2.792 -18.114 1.00 0.00 H new ATOM 0 HB3 PHE A 73 19.438 2.622 -18.900 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.780 0.904 -19.041 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.542 0.525 -18.871 1.00 0.00 H new ATOM 0 HE1 PHE A 73 23.004 -1.543 -18.966 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.757 -1.917 -18.790 1.00 0.00 H new ATOM 0 HZ PHE A 73 20.990 -2.960 -18.839 1.00 0.00 H new ATOM 1066 N ALA A 74 19.236 2.667 -21.807 1.00 0.00 N ATOM 1067 CA ALA A 74 18.579 2.081 -22.971 1.00 0.00 C ATOM 1068 C ALA A 74 19.215 2.543 -24.284 1.00 0.00 C ATOM 1069 O ALA A 74 19.601 1.725 -25.118 1.00 0.00 O ATOM 1070 CB ALA A 74 17.099 2.423 -22.958 1.00 0.00 C ATOM 0 H ALA A 74 18.635 3.272 -21.247 1.00 0.00 H new ATOM 0 HA ALA A 74 18.705 1.000 -22.911 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.616 1.982 -23.830 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.642 2.027 -22.051 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.976 3.506 -22.984 1.00 0.00 H new ATOM 1076 N SER A 75 19.342 3.853 -24.454 1.00 0.00 N ATOM 1077 CA SER A 75 19.786 4.418 -25.725 1.00 0.00 C ATOM 1078 C SER A 75 21.258 4.119 -26.013 1.00 0.00 C ATOM 1079 O SER A 75 21.657 4.014 -27.174 1.00 0.00 O ATOM 1080 CB SER A 75 19.532 5.925 -25.746 1.00 0.00 C ATOM 1081 OG SER A 75 20.018 6.540 -24.565 1.00 0.00 O ATOM 0 H SER A 75 19.145 4.544 -23.730 1.00 0.00 H new ATOM 0 HA SER A 75 19.205 3.941 -26.514 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.017 6.367 -26.616 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.463 6.116 -25.846 1.00 0.00 H new ATOM 0 HG SER A 75 19.320 6.526 -23.878 1.00 0.00 H new ATOM 1087 N SER A 76 22.063 3.976 -24.967 1.00 0.00 N ATOM 1088 CA SER A 76 23.476 3.668 -25.144 1.00 0.00 C ATOM 1089 C SER A 76 23.653 2.266 -25.725 1.00 0.00 C ATOM 1090 O SER A 76 24.529 2.038 -26.561 1.00 0.00 O ATOM 1091 CB SER A 76 24.225 3.799 -23.816 1.00 0.00 C ATOM 1092 OG SER A 76 24.104 5.110 -23.287 1.00 0.00 O ATOM 0 H SER A 76 21.765 4.067 -23.996 1.00 0.00 H new ATOM 0 HA SER A 76 23.897 4.385 -25.848 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.831 3.077 -23.100 1.00 0.00 H new ATOM 0 HB3 SER A 76 25.278 3.559 -23.964 1.00 0.00 H new ATOM 0 HG SER A 76 23.381 5.130 -22.625 1.00 0.00 H new ATOM 1098 N MET A 77 22.800 1.339 -25.299 1.00 0.00 N ATOM 1099 CA MET A 77 22.842 -0.025 -25.812 1.00 0.00 C ATOM 1100 C MET A 77 22.208 -0.086 -27.192 1.00 0.00 C ATOM 1101 O MET A 77 22.587 -0.908 -28.028 1.00 0.00 O ATOM 1102 CB MET A 77 22.099 -0.982 -24.879 1.00 0.00 C ATOM 1103 CG MET A 77 22.683 -1.063 -23.480 1.00 0.00 C ATOM 1104 SD MET A 77 21.753 -2.177 -22.412 1.00 0.00 S ATOM 1105 CE MET A 77 20.134 -1.408 -22.446 1.00 0.00 C ATOM 0 H MET A 77 22.074 1.507 -24.602 1.00 0.00 H new ATOM 0 HA MET A 77 23.887 -0.328 -25.873 1.00 0.00 H new ATOM 0 HB2 MET A 77 21.058 -0.668 -24.809 1.00 0.00 H new ATOM 0 HB3 MET A 77 22.102 -1.979 -25.321 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.718 -1.401 -23.540 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.698 -0.067 -23.037 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.458 -1.953 -21.787 1.00 0.00 H new ATOM 0 HE2 MET A 77 20.215 -0.375 -22.109 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.743 -1.428 -23.463 1.00 0.00 H new ATOM 1115 N ALA A 78 21.239 0.794 -27.416 1.00 0.00 N ATOM 1116 CA ALA A 78 20.519 0.857 -28.682 1.00 0.00 C ATOM 1117 C ALA A 78 21.471 1.050 -29.854 1.00 0.00 C ATOM 1118 O ALA A 78 21.354 0.371 -30.871 1.00 0.00 O ATOM 1119 CB ALA A 78 19.500 1.984 -28.642 1.00 0.00 C ATOM 0 H ALA A 78 20.931 1.481 -26.728 1.00 0.00 H new ATOM 0 HA ALA A 78 20.003 -0.092 -28.826 1.00 0.00 H new ATOM 0 HB1 ALA A 78 18.966 2.025 -29.591 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.791 1.805 -27.834 1.00 0.00 H new ATOM 0 HB3 ALA A 78 20.012 2.931 -28.472 1.00 0.00 H new ATOM 1125 N GLU A 79 22.419 1.964 -29.696 1.00 0.00 N ATOM 1126 CA GLU A 79 23.391 2.254 -30.747 1.00 0.00 C ATOM 1127 C GLU A 79 24.237 1.027 -31.054 1.00 0.00 C ATOM 1128 O GLU A 79 24.582 0.765 -32.204 1.00 0.00 O ATOM 1129 CB GLU A 79 24.295 3.407 -30.324 1.00 0.00 C ATOM 1130 CG GLU A 79 23.530 4.645 -29.904 1.00 0.00 C ATOM 1131 CD GLU A 79 24.442 5.818 -29.635 1.00 0.00 C ATOM 1132 OE1 GLU A 79 25.129 5.815 -28.590 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.471 6.753 -30.461 1.00 0.00 O ATOM 0 H GLU A 79 22.537 2.520 -28.849 1.00 0.00 H new ATOM 0 HA GLU A 79 22.844 2.536 -31.647 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.926 3.080 -29.497 1.00 0.00 H new ATOM 0 HB3 GLU A 79 24.959 3.661 -31.150 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.819 4.912 -30.685 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.951 4.425 -29.007 1.00 0.00 H new ATOM 1140 N ILE A 80 24.550 0.271 -30.013 1.00 0.00 N ATOM 1141 CA ILE A 80 25.359 -0.932 -30.148 1.00 0.00 C ATOM 1142 C ILE A 80 24.610 -1.993 -30.952 1.00 0.00 C ATOM 1143 O ILE A 80 25.168 -2.621 -31.852 1.00 0.00 O ATOM 1144 CB ILE A 80 25.740 -1.498 -28.763 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.438 -0.421 -27.928 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.631 -2.722 -28.909 1.00 0.00 C ATOM 1147 CD1 ILE A 80 26.832 -0.886 -26.546 1.00 0.00 C ATOM 0 H ILE A 80 24.254 0.471 -29.058 1.00 0.00 H new ATOM 0 HA ILE A 80 26.273 -0.663 -30.678 1.00 0.00 H new ATOM 0 HB ILE A 80 24.828 -1.802 -28.249 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.330 -0.085 -28.457 1.00 0.00 H new ATOM 0 HG13 ILE A 80 25.777 0.441 -27.837 1.00 0.00 H new ATOM 0 HG21 ILE A 80 26.888 -3.105 -27.921 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.102 -3.492 -29.471 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.543 -2.447 -29.440 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.321 -0.070 -26.013 1.00 0.00 H new ATOM 0 HD12 ILE A 80 25.942 -1.195 -25.998 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.518 -1.729 -26.628 1.00 0.00 H new ATOM 1159 N ALA A 81 23.335 -2.172 -30.630 1.00 0.00 N ATOM 1160 CA ALA A 81 22.487 -3.120 -31.347 1.00 0.00 C ATOM 1161 C ALA A 81 22.162 -2.620 -32.755 1.00 0.00 C ATOM 1162 O ALA A 81 21.874 -3.409 -33.658 1.00 0.00 O ATOM 1163 CB ALA A 81 21.206 -3.367 -30.569 1.00 0.00 C ATOM 0 H ALA A 81 22.863 -1.673 -29.876 1.00 0.00 H new ATOM 0 HA ALA A 81 23.035 -4.058 -31.442 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.581 -4.075 -31.113 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.449 -3.776 -29.588 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.667 -2.427 -30.447 1.00 0.00 H new ATOM 1169 N ALA A 82 22.196 -1.307 -32.925 1.00 0.00 N ATOM 1170 CA ALA A 82 21.893 -0.684 -34.206 1.00 0.00 C ATOM 1171 C ALA A 82 23.069 -0.778 -35.170 1.00 0.00 C ATOM 1172 O ALA A 82 22.883 -0.969 -36.372 1.00 0.00 O ATOM 1173 CB ALA A 82 21.527 0.770 -34.000 1.00 0.00 C ATOM 0 H ALA A 82 22.433 -0.646 -32.185 1.00 0.00 H new ATOM 0 HA ALA A 82 21.051 -1.221 -34.643 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.302 1.228 -34.963 1.00 0.00 H new ATOM 0 HB2 ALA A 82 20.652 0.837 -33.353 1.00 0.00 H new ATOM 0 HB3 ALA A 82 22.363 1.293 -33.536 1.00 0.00 H new ATOM 1241 N SER A 89 19.523 -9.898 -36.716 1.00 0.00 N ATOM 1242 CA SER A 89 18.377 -9.002 -36.677 1.00 0.00 C ATOM 1243 C SER A 89 18.435 -8.117 -35.433 1.00 0.00 C ATOM 1244 O SER A 89 19.051 -8.483 -34.429 1.00 0.00 O ATOM 1245 CB SER A 89 17.079 -9.819 -36.684 1.00 0.00 C ATOM 1246 OG SER A 89 15.943 -8.986 -36.524 1.00 0.00 O ATOM 0 HA SER A 89 18.400 -8.361 -37.558 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.999 -10.370 -37.621 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.107 -10.557 -35.882 1.00 0.00 H new ATOM 0 HG SER A 89 15.131 -9.535 -36.534 1.00 0.00 H new ATOM 1252 N LEU A 90 17.823 -6.940 -35.504 1.00 0.00 N ATOM 1253 CA LEU A 90 17.720 -6.084 -34.336 1.00 0.00 C ATOM 1254 C LEU A 90 16.779 -6.747 -33.341 1.00 0.00 C ATOM 1255 O LEU A 90 17.118 -6.889 -32.177 1.00 0.00 O ATOM 1256 CB LEU A 90 17.203 -4.684 -34.706 1.00 0.00 C ATOM 1257 CG LEU A 90 17.628 -3.527 -33.782 1.00 0.00 C ATOM 1258 CD1 LEU A 90 16.859 -2.266 -34.137 1.00 0.00 C ATOM 1259 CD2 LEU A 90 17.432 -3.848 -32.310 1.00 0.00 C ATOM 0 H LEU A 90 17.396 -6.563 -36.350 1.00 0.00 H new ATOM 0 HA LEU A 90 18.710 -5.955 -33.898 1.00 0.00 H new ATOM 0 HB2 LEU A 90 17.538 -4.453 -35.717 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.114 -4.718 -34.731 1.00 0.00 H new ATOM 0 HG LEU A 90 18.695 -3.372 -33.941 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.167 -1.454 -33.478 1.00 0.00 H new ATOM 0 HD12 LEU A 90 17.067 -1.992 -35.171 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.791 -2.445 -34.017 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.748 -2.997 -31.707 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.379 -4.056 -32.120 1.00 0.00 H new ATOM 0 HD23 LEU A 90 18.028 -4.721 -32.046 1.00 0.00 H new ATOM 1271 N SER A 91 15.625 -7.195 -33.831 1.00 0.00 N ATOM 1272 CA SER A 91 14.592 -7.794 -32.988 1.00 0.00 C ATOM 1273 C SER A 91 15.164 -8.929 -32.135 1.00 0.00 C ATOM 1274 O SER A 91 14.819 -9.075 -30.956 1.00 0.00 O ATOM 1275 CB SER A 91 13.442 -8.306 -33.863 1.00 0.00 C ATOM 1276 OG SER A 91 12.305 -8.653 -33.086 1.00 0.00 O ATOM 0 H SER A 91 15.380 -7.153 -34.820 1.00 0.00 H new ATOM 0 HA SER A 91 14.213 -7.029 -32.310 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.167 -7.540 -34.588 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.775 -9.176 -34.429 1.00 0.00 H new ATOM 0 HG SER A 91 11.591 -8.974 -33.676 1.00 0.00 H new ATOM 1282 N THR A 92 16.049 -9.719 -32.732 1.00 0.00 N ATOM 1283 CA THR A 92 16.731 -10.785 -32.017 1.00 0.00 C ATOM 1284 C THR A 92 17.562 -10.205 -30.879 1.00 0.00 C ATOM 1285 O THR A 92 17.534 -10.696 -29.749 1.00 0.00 O ATOM 1286 CB THR A 92 17.651 -11.574 -32.968 1.00 0.00 C ATOM 1287 OG1 THR A 92 16.886 -12.062 -34.076 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.331 -12.734 -32.248 1.00 0.00 C ATOM 0 H THR A 92 16.310 -9.638 -33.715 1.00 0.00 H new ATOM 0 HA THR A 92 15.977 -11.459 -31.611 1.00 0.00 H new ATOM 0 HB THR A 92 18.431 -10.903 -33.327 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.471 -12.563 -34.682 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.973 -13.270 -32.947 1.00 0.00 H new ATOM 0 HG22 THR A 92 18.933 -12.349 -31.425 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.574 -13.413 -31.857 1.00 0.00 H new ATOM 1296 N LYS A 93 18.263 -9.125 -31.181 1.00 0.00 N ATOM 1297 CA LYS A 93 19.184 -8.521 -30.238 1.00 0.00 C ATOM 1298 C LYS A 93 18.440 -7.732 -29.155 1.00 0.00 C ATOM 1299 O LYS A 93 18.838 -7.762 -27.993 1.00 0.00 O ATOM 1300 CB LYS A 93 20.198 -7.644 -30.981 1.00 0.00 C ATOM 1301 CG LYS A 93 21.049 -8.433 -31.974 1.00 0.00 C ATOM 1302 CD LYS A 93 22.334 -7.703 -32.355 1.00 0.00 C ATOM 1303 CE LYS A 93 22.082 -6.454 -33.184 1.00 0.00 C ATOM 1304 NZ LYS A 93 21.635 -6.766 -34.571 1.00 0.00 N ATOM 0 H LYS A 93 18.209 -8.647 -32.080 1.00 0.00 H new ATOM 0 HA LYS A 93 19.729 -9.316 -29.730 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.667 -6.854 -31.512 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.851 -7.158 -30.256 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.300 -9.402 -31.542 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.465 -8.627 -32.874 1.00 0.00 H new ATOM 0 HD2 LYS A 93 22.872 -7.428 -31.448 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.978 -8.381 -32.915 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.326 -5.842 -32.692 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.995 -5.860 -33.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.478 -5.880 -35.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.366 -7.327 -35.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.749 -7.309 -34.536 1.00 0.00 H new ATOM 1318 N THR A 94 17.362 -7.039 -29.528 1.00 0.00 N ATOM 1319 CA THR A 94 16.514 -6.358 -28.546 1.00 0.00 C ATOM 1320 C THR A 94 16.031 -7.342 -27.482 1.00 0.00 C ATOM 1321 O THR A 94 16.107 -7.074 -26.282 1.00 0.00 O ATOM 1322 CB THR A 94 15.269 -5.729 -29.204 1.00 0.00 C ATOM 1323 OG1 THR A 94 15.539 -5.399 -30.564 1.00 0.00 O ATOM 1324 CG2 THR A 94 14.837 -4.474 -28.462 1.00 0.00 C ATOM 0 H THR A 94 17.057 -6.935 -30.496 1.00 0.00 H new ATOM 0 HA THR A 94 17.124 -5.573 -28.098 1.00 0.00 H new ATOM 0 HB THR A 94 14.464 -6.462 -29.159 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.740 -5.002 -30.969 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.957 -4.050 -28.946 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.597 -4.726 -27.429 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.647 -3.745 -28.478 1.00 0.00 H new ATOM 1332 N SER A 95 15.547 -8.490 -27.940 1.00 0.00 N ATOM 1333 CA SER A 95 15.001 -9.506 -27.061 1.00 0.00 C ATOM 1334 C SER A 95 16.099 -10.169 -26.231 1.00 0.00 C ATOM 1335 O SER A 95 15.837 -10.715 -25.159 1.00 0.00 O ATOM 1336 CB SER A 95 14.272 -10.542 -27.906 1.00 0.00 C ATOM 1337 OG SER A 95 13.371 -9.908 -28.804 1.00 0.00 O ATOM 0 H SER A 95 15.524 -8.739 -28.929 1.00 0.00 H new ATOM 0 HA SER A 95 14.305 -9.039 -26.364 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.994 -11.137 -28.466 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.727 -11.229 -27.259 1.00 0.00 H new ATOM 0 HG SER A 95 13.859 -9.608 -29.599 1.00 0.00 H new ATOM 1343 N SER A 96 17.326 -10.107 -26.729 1.00 0.00 N ATOM 1344 CA SER A 96 18.467 -10.688 -26.039 1.00 0.00 C ATOM 1345 C SER A 96 18.804 -9.899 -24.775 1.00 0.00 C ATOM 1346 O SER A 96 19.249 -10.463 -23.775 1.00 0.00 O ATOM 1347 CB SER A 96 19.673 -10.722 -26.975 1.00 0.00 C ATOM 1348 OG SER A 96 19.448 -11.592 -28.074 1.00 0.00 O ATOM 0 H SER A 96 17.557 -9.657 -27.615 1.00 0.00 H new ATOM 0 HA SER A 96 18.210 -11.705 -25.743 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.881 -9.716 -27.341 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.555 -11.049 -26.424 1.00 0.00 H new ATOM 0 HG SER A 96 18.618 -11.337 -28.528 1.00 0.00 H new ATOM 1354 N ILE A 97 18.580 -8.594 -24.823 1.00 0.00 N ATOM 1355 CA ILE A 97 18.874 -7.733 -23.688 1.00 0.00 C ATOM 1356 C ILE A 97 17.873 -7.970 -22.559 1.00 0.00 C ATOM 1357 O ILE A 97 18.256 -8.184 -21.410 1.00 0.00 O ATOM 1358 CB ILE A 97 18.855 -6.241 -24.093 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.860 -5.992 -25.222 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.176 -5.357 -22.894 1.00 0.00 C ATOM 1361 CD1 ILE A 97 19.886 -4.558 -25.707 1.00 0.00 C ATOM 0 H ILE A 97 18.196 -8.109 -25.634 1.00 0.00 H new ATOM 0 HA ILE A 97 19.876 -7.984 -23.339 1.00 0.00 H new ATOM 0 HB ILE A 97 17.856 -5.988 -24.447 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.856 -6.268 -24.877 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.621 -6.646 -26.061 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.158 -4.311 -23.198 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.434 -5.520 -22.112 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.166 -5.607 -22.512 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.620 -4.457 -26.506 1.00 0.00 H new ATOM 0 HD12 ILE A 97 18.901 -4.283 -26.083 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.156 -3.899 -24.881 1.00 0.00 H new ATOM 1373 N ALA A 98 16.592 -7.972 -22.910 1.00 0.00 N ATOM 1374 CA ALA A 98 15.522 -8.080 -21.925 1.00 0.00 C ATOM 1375 C ALA A 98 15.580 -9.390 -21.152 1.00 0.00 C ATOM 1376 O ALA A 98 15.325 -9.415 -19.946 1.00 0.00 O ATOM 1377 CB ALA A 98 14.167 -7.932 -22.592 1.00 0.00 C ATOM 0 H ALA A 98 16.268 -7.900 -23.874 1.00 0.00 H new ATOM 0 HA ALA A 98 15.665 -7.269 -21.211 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.381 -8.015 -21.841 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.104 -6.958 -23.076 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.041 -8.717 -23.338 1.00 0.00 H new ATOM 1383 N SER A 99 15.928 -10.469 -21.837 1.00 0.00 N ATOM 1384 CA SER A 99 15.989 -11.768 -21.221 1.00 0.00 C ATOM 1385 C SER A 99 17.143 -11.825 -20.235 1.00 0.00 C ATOM 1386 O SER A 99 17.000 -12.300 -19.108 1.00 0.00 O ATOM 1387 CB SER A 99 16.150 -12.805 -22.318 1.00 0.00 C ATOM 1388 OG SER A 99 16.987 -12.315 -23.347 1.00 0.00 O ATOM 0 H SER A 99 16.173 -10.460 -22.827 1.00 0.00 H new ATOM 0 HA SER A 99 15.074 -11.970 -20.664 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.573 -13.719 -21.902 1.00 0.00 H new ATOM 0 HB3 SER A 99 15.174 -13.063 -22.728 1.00 0.00 H new ATOM 0 HG SER A 99 16.436 -11.995 -24.092 1.00 0.00 H new ATOM 1394 N ALA A 100 18.283 -11.305 -20.669 1.00 0.00 N ATOM 1395 CA ALA A 100 19.458 -11.201 -19.818 1.00 0.00 C ATOM 1396 C ALA A 100 19.181 -10.302 -18.614 1.00 0.00 C ATOM 1397 O ALA A 100 19.663 -10.566 -17.516 1.00 0.00 O ATOM 1398 CB ALA A 100 20.640 -10.671 -20.612 1.00 0.00 C ATOM 0 H ALA A 100 18.418 -10.946 -21.614 1.00 0.00 H new ATOM 0 HA ALA A 100 19.701 -12.198 -19.450 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.512 -10.599 -19.962 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.858 -11.349 -21.437 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.399 -9.684 -21.008 1.00 0.00 H new ATOM 1404 N MET A 101 18.391 -9.247 -18.823 1.00 0.00 N ATOM 1405 CA MET A 101 18.036 -8.326 -17.752 1.00 0.00 C ATOM 1406 C MET A 101 17.178 -9.022 -16.705 1.00 0.00 C ATOM 1407 O MET A 101 17.440 -8.927 -15.506 1.00 0.00 O ATOM 1408 CB MET A 101 17.291 -7.126 -18.326 1.00 0.00 C ATOM 1409 CG MET A 101 18.198 -6.096 -18.974 1.00 0.00 C ATOM 1410 SD MET A 101 17.310 -5.002 -20.098 1.00 0.00 S ATOM 1411 CE MET A 101 15.813 -4.723 -19.168 1.00 0.00 C ATOM 0 H MET A 101 17.986 -9.012 -19.729 1.00 0.00 H new ATOM 0 HA MET A 101 18.952 -7.983 -17.272 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.569 -7.477 -19.064 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.724 -6.647 -17.528 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.679 -5.501 -18.198 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.990 -6.607 -19.521 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.193 -3.993 -19.688 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.265 -5.660 -19.070 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.065 -4.345 -18.177 1.00 0.00 H new ATOM 1421 N SER A 102 16.154 -9.727 -17.174 1.00 0.00 N ATOM 1422 CA SER A 102 15.274 -10.485 -16.299 1.00 0.00 C ATOM 1423 C SER A 102 16.071 -11.528 -15.525 1.00 0.00 C ATOM 1424 O SER A 102 15.975 -11.624 -14.302 1.00 0.00 O ATOM 1425 CB SER A 102 14.175 -11.158 -17.130 1.00 0.00 C ATOM 1426 OG SER A 102 13.300 -11.917 -16.317 1.00 0.00 O ATOM 0 H SER A 102 15.914 -9.788 -18.163 1.00 0.00 H new ATOM 0 HA SER A 102 14.810 -9.807 -15.583 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.607 -10.398 -17.667 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.630 -11.805 -17.880 1.00 0.00 H new ATOM 0 HG SER A 102 12.611 -12.331 -16.877 1.00 0.00 H new ATOM 1432 N ASN A 103 16.884 -12.283 -16.254 1.00 0.00 N ATOM 1433 CA ASN A 103 17.712 -13.329 -15.670 1.00 0.00 C ATOM 1434 C ASN A 103 18.684 -12.760 -14.637 1.00 0.00 C ATOM 1435 O ASN A 103 18.892 -13.353 -13.583 1.00 0.00 O ATOM 1436 CB ASN A 103 18.479 -14.044 -16.785 1.00 0.00 C ATOM 1437 CG ASN A 103 19.454 -15.087 -16.276 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.216 -15.749 -15.267 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.564 -15.238 -16.981 1.00 0.00 N ATOM 0 H ASN A 103 16.987 -12.187 -17.264 1.00 0.00 H new ATOM 0 HA ASN A 103 17.065 -14.038 -15.154 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.766 -14.522 -17.457 1.00 0.00 H new ATOM 0 HB3 ASN A 103 19.024 -13.305 -17.372 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.261 -15.924 -16.693 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.722 -14.668 -17.812 1.00 0.00 H new ATOM 1446 N ALA A 104 19.261 -11.604 -14.937 1.00 0.00 N ATOM 1447 CA ALA A 104 20.223 -10.972 -14.040 1.00 0.00 C ATOM 1448 C ALA A 104 19.563 -10.522 -12.740 1.00 0.00 C ATOM 1449 O ALA A 104 20.114 -10.716 -11.652 1.00 0.00 O ATOM 1450 CB ALA A 104 20.885 -9.794 -14.730 1.00 0.00 C ATOM 0 H ALA A 104 19.080 -11.083 -15.795 1.00 0.00 H new ATOM 0 HA ALA A 104 20.983 -11.712 -13.788 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.601 -9.330 -14.051 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.404 -10.141 -15.624 1.00 0.00 H new ATOM 0 HB3 ALA A 104 20.126 -9.064 -15.012 1.00 0.00 H new ATOM 1456 N PHE A 105 18.383 -9.925 -12.850 1.00 0.00 N ATOM 1457 CA PHE A 105 17.654 -9.470 -11.674 1.00 0.00 C ATOM 1458 C PHE A 105 17.194 -10.681 -10.865 1.00 0.00 C ATOM 1459 O PHE A 105 17.139 -10.650 -9.632 1.00 0.00 O ATOM 1460 CB PHE A 105 16.464 -8.606 -12.099 1.00 0.00 C ATOM 1461 CG PHE A 105 16.204 -7.433 -11.190 1.00 0.00 C ATOM 1462 CD1 PHE A 105 17.234 -6.581 -10.821 1.00 0.00 C ATOM 1463 CD2 PHE A 105 14.929 -7.176 -10.714 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.996 -5.498 -9.995 1.00 0.00 C ATOM 1465 CE2 PHE A 105 14.684 -6.096 -9.886 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.719 -5.256 -9.527 1.00 0.00 C ATOM 0 H PHE A 105 17.913 -9.745 -13.737 1.00 0.00 H new ATOM 0 HA PHE A 105 18.306 -8.860 -11.048 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.638 -8.238 -13.110 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.570 -9.229 -12.136 1.00 0.00 H new ATOM 0 HD1 PHE A 105 18.235 -6.766 -11.183 1.00 0.00 H new ATOM 0 HD2 PHE A 105 14.115 -7.828 -10.993 1.00 0.00 H new ATOM 0 HE1 PHE A 105 17.807 -4.842 -9.716 1.00 0.00 H new ATOM 0 HE2 PHE A 105 13.685 -5.910 -9.521 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.531 -4.411 -8.881 1.00 0.00 H new ATOM 1476 N LEU A 106 16.895 -11.757 -11.582 1.00 0.00 N ATOM 1477 CA LEU A 106 16.515 -13.024 -11.002 1.00 0.00 C ATOM 1478 C LEU A 106 17.622 -13.612 -10.123 1.00 0.00 C ATOM 1479 O LEU A 106 17.349 -14.395 -9.213 1.00 0.00 O ATOM 1480 CB LEU A 106 16.215 -13.961 -12.160 1.00 0.00 C ATOM 1481 CG LEU A 106 15.389 -15.189 -11.852 1.00 0.00 C ATOM 1482 CD1 LEU A 106 14.087 -14.792 -11.179 1.00 0.00 C ATOM 1483 CD2 LEU A 106 15.128 -15.914 -13.153 1.00 0.00 C ATOM 0 H LEU A 106 16.912 -11.766 -12.602 1.00 0.00 H new ATOM 0 HA LEU A 106 15.649 -12.888 -10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.699 -13.391 -12.933 1.00 0.00 H new ATOM 0 HB3 LEU A 106 17.164 -14.289 -12.585 1.00 0.00 H new ATOM 0 HG LEU A 106 15.924 -15.846 -11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.502 -15.686 -10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.304 -14.266 -10.249 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.520 -14.138 -11.841 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.533 -16.806 -12.959 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.586 -15.257 -13.833 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.077 -16.202 -13.606 1.00 0.00 H new ATOM 1495 N GLN A 107 18.869 -13.242 -10.396 1.00 0.00 N ATOM 1496 CA GLN A 107 20.000 -13.792 -9.650 1.00 0.00 C ATOM 1497 C GLN A 107 20.393 -12.883 -8.496 1.00 0.00 C ATOM 1498 O GLN A 107 20.925 -13.342 -7.487 1.00 0.00 O ATOM 1499 CB GLN A 107 21.212 -14.003 -10.564 1.00 0.00 C ATOM 1500 CG GLN A 107 20.886 -14.752 -11.842 1.00 0.00 C ATOM 1501 CD GLN A 107 20.087 -16.016 -11.597 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.255 -16.693 -10.582 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.186 -16.317 -12.512 1.00 0.00 N ATOM 0 H GLN A 107 19.123 -12.570 -11.121 1.00 0.00 H new ATOM 0 HA GLN A 107 19.682 -14.755 -9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.637 -13.032 -10.820 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.978 -14.552 -10.016 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.325 -14.097 -12.508 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.814 -15.008 -12.354 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.081 -15.728 -13.338 1.00 0.00 H new ATOM 0 HE22 GLN A 107 18.594 -17.139 -12.394 1.00 0.00 H new ATOM 1512 N THR A 108 20.121 -11.598 -8.641 1.00 0.00 N ATOM 1513 CA THR A 108 20.546 -10.619 -7.660 1.00 0.00 C ATOM 1514 C THR A 108 19.554 -10.509 -6.505 1.00 0.00 C ATOM 1515 O THR A 108 19.908 -10.735 -5.346 1.00 0.00 O ATOM 1516 CB THR A 108 20.741 -9.248 -8.322 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.721 -9.042 -9.310 1.00 0.00 O ATOM 1518 CG2 THR A 108 22.114 -9.148 -8.967 1.00 0.00 C ATOM 0 H THR A 108 19.606 -11.209 -9.431 1.00 0.00 H new ATOM 0 HA THR A 108 21.498 -10.957 -7.250 1.00 0.00 H new ATOM 0 HB THR A 108 20.667 -8.478 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.966 -9.510 -10.135 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.228 -8.168 -9.429 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.884 -9.283 -8.207 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.216 -9.922 -9.728 1.00 0.00 H new ATOM 1526 N THR A 109 18.314 -10.174 -6.822 1.00 0.00 N ATOM 1527 CA THR A 109 17.286 -10.030 -5.801 1.00 0.00 C ATOM 1528 C THR A 109 16.356 -11.243 -5.789 1.00 0.00 C ATOM 1529 O THR A 109 15.674 -11.511 -4.796 1.00 0.00 O ATOM 1530 CB THR A 109 16.484 -8.718 -5.988 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.290 -8.736 -5.196 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.131 -8.486 -7.446 1.00 0.00 C ATOM 0 H THR A 109 17.994 -9.997 -7.774 1.00 0.00 H new ATOM 0 HA THR A 109 17.785 -9.976 -4.834 1.00 0.00 H new ATOM 0 HB THR A 109 17.120 -7.898 -5.655 1.00 0.00 H new ATOM 0 HG1 THR A 109 14.798 -7.898 -5.327 1.00 0.00 H new ATOM 0 HG21 THR A 109 15.569 -7.557 -7.541 1.00 0.00 H new ATOM 0 HG22 THR A 109 17.045 -8.418 -8.035 1.00 0.00 H new ATOM 0 HG23 THR A 109 15.525 -9.316 -7.810 1.00 0.00 H new ATOM 1540 N GLY A 110 16.347 -11.988 -6.888 1.00 0.00 N ATOM 1541 CA GLY A 110 15.572 -13.213 -6.947 1.00 0.00 C ATOM 1542 C GLY A 110 14.210 -13.007 -7.568 1.00 0.00 C ATOM 1543 O GLY A 110 13.509 -13.969 -7.880 1.00 0.00 O ATOM 0 H GLY A 110 16.863 -11.766 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.121 -13.959 -7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.452 -13.612 -5.940 1.00 0.00 H new ATOM 1547 N VAL A 111 13.833 -11.750 -7.746 1.00 0.00 N ATOM 1548 CA VAL A 111 12.545 -11.408 -8.323 1.00 0.00 C ATOM 1549 C VAL A 111 12.745 -10.459 -9.492 1.00 0.00 C ATOM 1550 O VAL A 111 13.688 -9.668 -9.503 1.00 0.00 O ATOM 1551 CB VAL A 111 11.607 -10.742 -7.288 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.182 -10.646 -7.816 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.639 -11.493 -5.965 1.00 0.00 C ATOM 0 H VAL A 111 14.407 -10.945 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 111 12.079 -12.334 -8.658 1.00 0.00 H new ATOM 0 HB VAL A 111 11.970 -9.729 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.547 -10.174 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.171 -10.049 -8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.806 -11.646 -8.032 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.972 -11.006 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.313 -12.521 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.655 -11.491 -5.570 1.00 0.00 H new ATOM 1563 N VAL A 112 11.869 -10.549 -10.473 1.00 0.00 N ATOM 1564 CA VAL A 112 11.959 -9.708 -11.653 1.00 0.00 C ATOM 1565 C VAL A 112 10.895 -8.616 -11.620 1.00 0.00 C ATOM 1566 O VAL A 112 9.699 -8.905 -11.615 1.00 0.00 O ATOM 1567 CB VAL A 112 11.796 -10.533 -12.947 1.00 0.00 C ATOM 1568 CG1 VAL A 112 11.964 -9.647 -14.175 1.00 0.00 C ATOM 1569 CG2 VAL A 112 12.788 -11.686 -12.973 1.00 0.00 C ATOM 0 H VAL A 112 11.083 -11.199 -10.477 1.00 0.00 H new ATOM 0 HA VAL A 112 12.949 -9.253 -11.648 1.00 0.00 H new ATOM 0 HB VAL A 112 10.789 -10.949 -12.965 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.845 -10.248 -15.076 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.210 -8.860 -14.162 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.957 -9.198 -14.167 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.659 -12.257 -13.893 1.00 0.00 H new ATOM 0 HG22 VAL A 112 13.804 -11.293 -12.930 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.613 -12.336 -12.115 1.00 0.00 H new ATOM 1579 N ASN A 113 11.329 -7.363 -11.585 1.00 0.00 N ATOM 1580 CA ASN A 113 10.393 -6.251 -11.627 1.00 0.00 C ATOM 1581 C ASN A 113 10.112 -5.883 -13.081 1.00 0.00 C ATOM 1582 O ASN A 113 10.887 -5.172 -13.722 1.00 0.00 O ATOM 1583 CB ASN A 113 10.926 -5.048 -10.843 1.00 0.00 C ATOM 1584 CG ASN A 113 9.828 -4.059 -10.495 1.00 0.00 C ATOM 1585 OD1 ASN A 113 8.661 -4.428 -10.370 1.00 0.00 O ATOM 1586 ND2 ASN A 113 10.198 -2.802 -10.305 1.00 0.00 N ATOM 0 H ASN A 113 12.311 -7.094 -11.528 1.00 0.00 H new ATOM 0 HA ASN A 113 9.460 -6.553 -11.151 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.403 -5.396 -9.927 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.694 -4.544 -11.431 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.505 -2.100 -10.045 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.176 -2.536 -10.418 1.00 0.00 H new ATOM 1593 N GLN A 114 8.998 -6.405 -13.582 1.00 0.00 N ATOM 1594 CA GLN A 114 8.630 -6.337 -14.999 1.00 0.00 C ATOM 1595 C GLN A 114 8.647 -4.900 -15.573 1.00 0.00 C ATOM 1596 O GLN A 114 9.317 -4.662 -16.578 1.00 0.00 O ATOM 1597 CB GLN A 114 7.243 -6.977 -15.180 1.00 0.00 C ATOM 1598 CG GLN A 114 7.038 -7.726 -16.495 1.00 0.00 C ATOM 1599 CD GLN A 114 6.932 -6.817 -17.701 1.00 0.00 C ATOM 1600 OE1 GLN A 114 5.850 -6.338 -18.041 1.00 0.00 O ATOM 1601 NE2 GLN A 114 8.049 -6.594 -18.371 1.00 0.00 N ATOM 0 H GLN A 114 8.312 -6.896 -13.009 1.00 0.00 H new ATOM 0 HA GLN A 114 9.384 -6.886 -15.563 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.070 -7.669 -14.356 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.487 -6.195 -15.104 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.868 -8.417 -16.643 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.132 -8.327 -16.423 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.925 -7.010 -18.055 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.035 -6.006 -19.204 1.00 0.00 H new ATOM 1610 N PRO A 115 7.928 -3.927 -14.950 1.00 0.00 N ATOM 1611 CA PRO A 115 7.728 -2.572 -15.504 1.00 0.00 C ATOM 1612 C PRO A 115 8.978 -1.919 -16.110 1.00 0.00 C ATOM 1613 O PRO A 115 8.905 -1.322 -17.184 1.00 0.00 O ATOM 1614 CB PRO A 115 7.235 -1.747 -14.301 1.00 0.00 C ATOM 1615 CG PRO A 115 7.304 -2.658 -13.118 1.00 0.00 C ATOM 1616 CD PRO A 115 7.232 -4.052 -13.662 1.00 0.00 C ATOM 0 HA PRO A 115 7.034 -2.621 -16.343 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.858 -0.866 -14.151 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.217 -1.393 -14.462 1.00 0.00 H new ATOM 0 HG2 PRO A 115 8.228 -2.504 -12.561 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.481 -2.465 -12.429 1.00 0.00 H new ATOM 0 HD2 PRO A 115 7.722 -4.770 -13.004 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.202 -4.386 -13.788 1.00 0.00 H new ATOM 1624 N PHE A 116 10.122 -2.042 -15.446 1.00 0.00 N ATOM 1625 CA PHE A 116 11.320 -1.323 -15.873 1.00 0.00 C ATOM 1626 C PHE A 116 11.921 -1.935 -17.130 1.00 0.00 C ATOM 1627 O PHE A 116 12.630 -1.264 -17.880 1.00 0.00 O ATOM 1628 CB PHE A 116 12.362 -1.287 -14.754 1.00 0.00 C ATOM 1629 CG PHE A 116 12.002 -0.355 -13.628 1.00 0.00 C ATOM 1630 CD1 PHE A 116 12.102 1.017 -13.794 1.00 0.00 C ATOM 1631 CD2 PHE A 116 11.564 -0.848 -12.410 1.00 0.00 C ATOM 1632 CE1 PHE A 116 11.771 1.881 -12.766 1.00 0.00 C ATOM 1633 CE2 PHE A 116 11.233 0.012 -11.378 1.00 0.00 C ATOM 1634 CZ PHE A 116 11.337 1.377 -11.557 1.00 0.00 C ATOM 0 H PHE A 116 10.247 -2.626 -14.619 1.00 0.00 H new ATOM 0 HA PHE A 116 11.019 -0.301 -16.105 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.490 -2.293 -14.355 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.322 -0.985 -15.172 1.00 0.00 H new ATOM 0 HD1 PHE A 116 12.443 1.417 -14.738 1.00 0.00 H new ATOM 0 HD2 PHE A 116 11.480 -1.915 -12.264 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.852 2.948 -12.909 1.00 0.00 H new ATOM 0 HE2 PHE A 116 10.893 -0.384 -10.433 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.079 2.049 -10.752 1.00 0.00 H new ATOM 1644 N ILE A 117 11.630 -3.204 -17.370 1.00 0.00 N ATOM 1645 CA ILE A 117 12.145 -3.877 -18.548 1.00 0.00 C ATOM 1646 C ILE A 117 11.409 -3.392 -19.795 1.00 0.00 C ATOM 1647 O ILE A 117 11.987 -3.296 -20.880 1.00 0.00 O ATOM 1648 CB ILE A 117 12.040 -5.416 -18.420 1.00 0.00 C ATOM 1649 CG1 ILE A 117 12.926 -5.902 -17.266 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.428 -6.101 -19.723 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.053 -7.409 -17.174 1.00 0.00 C ATOM 0 H ILE A 117 11.044 -3.783 -16.769 1.00 0.00 H new ATOM 0 HA ILE A 117 13.202 -3.628 -18.639 1.00 0.00 H new ATOM 0 HB ILE A 117 11.004 -5.678 -18.206 1.00 0.00 H new ATOM 0 HG12 ILE A 117 13.921 -5.471 -17.380 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.520 -5.525 -16.327 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.345 -7.181 -19.605 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.762 -5.771 -20.520 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.455 -5.842 -19.979 1.00 0.00 H new ATOM 0 HD11 ILE A 117 13.695 -7.669 -16.333 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.067 -7.849 -17.027 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.489 -7.794 -18.096 1.00 0.00 H new ATOM 1663 N ASN A 118 10.142 -3.041 -19.619 1.00 0.00 N ATOM 1664 CA ASN A 118 9.315 -2.564 -20.723 1.00 0.00 C ATOM 1665 C ASN A 118 9.827 -1.231 -21.240 1.00 0.00 C ATOM 1666 O ASN A 118 9.854 -0.990 -22.446 1.00 0.00 O ATOM 1667 CB ASN A 118 7.857 -2.419 -20.282 1.00 0.00 C ATOM 1668 CG ASN A 118 7.224 -3.745 -19.924 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.589 -4.789 -20.466 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.271 -3.715 -19.010 1.00 0.00 N ATOM 0 H ASN A 118 9.662 -3.077 -18.720 1.00 0.00 H new ATOM 0 HA ASN A 118 9.371 -3.300 -21.525 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.806 -1.752 -19.421 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.284 -1.951 -21.082 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.807 -4.579 -18.728 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.999 -2.828 -18.586 1.00 0.00 H new ATOM 1677 N GLU A 119 10.254 -0.378 -20.321 1.00 0.00 N ATOM 1678 CA GLU A 119 10.734 0.947 -20.675 1.00 0.00 C ATOM 1679 C GLU A 119 12.015 0.861 -21.500 1.00 0.00 C ATOM 1680 O GLU A 119 12.078 1.380 -22.615 1.00 0.00 O ATOM 1681 CB GLU A 119 10.955 1.779 -19.410 1.00 0.00 C ATOM 1682 CG GLU A 119 9.706 1.898 -18.553 1.00 0.00 C ATOM 1683 CD GLU A 119 9.872 2.843 -17.382 1.00 0.00 C ATOM 1684 OE1 GLU A 119 9.867 4.072 -17.604 1.00 0.00 O ATOM 1685 OE2 GLU A 119 9.969 2.368 -16.234 1.00 0.00 O ATOM 0 H GLU A 119 10.277 -0.582 -19.322 1.00 0.00 H new ATOM 0 HA GLU A 119 9.978 1.438 -21.288 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.753 1.328 -18.820 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.292 2.776 -19.692 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.879 2.242 -19.174 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.435 0.911 -18.179 1.00 0.00 H new ATOM 1692 N ILE A 120 13.022 0.176 -20.964 1.00 0.00 N ATOM 1693 CA ILE A 120 14.307 0.041 -21.644 1.00 0.00 C ATOM 1694 C ILE A 120 14.146 -0.575 -23.040 1.00 0.00 C ATOM 1695 O ILE A 120 14.683 -0.045 -24.014 1.00 0.00 O ATOM 1696 CB ILE A 120 15.315 -0.789 -20.802 1.00 0.00 C ATOM 1697 CG1 ILE A 120 16.063 0.108 -19.809 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.318 -1.519 -21.690 1.00 0.00 C ATOM 1699 CD1 ILE A 120 15.195 0.745 -18.747 1.00 0.00 C ATOM 0 H ILE A 120 12.973 -0.294 -20.060 1.00 0.00 H new ATOM 0 HA ILE A 120 14.708 1.048 -21.761 1.00 0.00 H new ATOM 0 HB ILE A 120 14.739 -1.532 -20.250 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.836 -0.483 -19.319 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.570 0.897 -20.365 1.00 0.00 H new ATOM 0 HG21 ILE A 120 17.007 -2.089 -21.068 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.787 -2.197 -22.358 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.878 -0.793 -22.280 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.813 1.360 -18.093 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.437 1.368 -19.222 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.708 -0.034 -18.160 1.00 0.00 H new ATOM 1711 N THR A 121 13.383 -1.663 -23.143 1.00 0.00 N ATOM 1712 CA THR A 121 13.258 -2.390 -24.407 1.00 0.00 C ATOM 1713 C THR A 121 12.690 -1.517 -25.524 1.00 0.00 C ATOM 1714 O THR A 121 13.192 -1.541 -26.651 1.00 0.00 O ATOM 1715 CB THR A 121 12.393 -3.657 -24.257 1.00 0.00 C ATOM 1716 OG1 THR A 121 11.209 -3.367 -23.507 1.00 0.00 O ATOM 1717 CG2 THR A 121 13.173 -4.764 -23.574 1.00 0.00 C ATOM 0 H THR A 121 12.845 -2.059 -22.372 1.00 0.00 H new ATOM 0 HA THR A 121 14.271 -2.684 -24.681 1.00 0.00 H new ATOM 0 HB THR A 121 12.111 -3.992 -25.255 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.398 -3.456 -22.550 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.543 -5.648 -23.479 1.00 0.00 H new ATOM 0 HG22 THR A 121 14.054 -5.008 -24.168 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.484 -4.432 -22.583 1.00 0.00 H new ATOM 1725 N GLN A 122 11.667 -0.735 -25.211 1.00 0.00 N ATOM 1726 CA GLN A 122 11.036 0.115 -26.210 1.00 0.00 C ATOM 1727 C GLN A 122 11.966 1.245 -26.629 1.00 0.00 C ATOM 1728 O GLN A 122 12.006 1.625 -27.799 1.00 0.00 O ATOM 1729 CB GLN A 122 9.713 0.674 -25.688 1.00 0.00 C ATOM 1730 CG GLN A 122 8.683 -0.405 -25.385 1.00 0.00 C ATOM 1731 CD GLN A 122 8.421 -1.312 -26.574 1.00 0.00 C ATOM 1732 OE1 GLN A 122 9.084 -2.336 -26.750 1.00 0.00 O ATOM 1733 NE2 GLN A 122 7.456 -0.944 -27.396 1.00 0.00 N ATOM 0 H GLN A 122 11.258 -0.671 -24.279 1.00 0.00 H new ATOM 0 HA GLN A 122 10.828 -0.496 -27.088 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.902 1.251 -24.783 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.301 1.363 -26.425 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.028 -1.006 -24.544 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.749 0.065 -25.079 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.930 -0.089 -27.215 1.00 0.00 H new ATOM 0 HE22 GLN A 122 7.236 -1.515 -28.212 1.00 0.00 H new ATOM 1742 N LEU A 123 12.729 1.769 -25.679 1.00 0.00 N ATOM 1743 CA LEU A 123 13.703 2.808 -25.985 1.00 0.00 C ATOM 1744 C LEU A 123 14.846 2.254 -26.825 1.00 0.00 C ATOM 1745 O LEU A 123 15.291 2.904 -27.767 1.00 0.00 O ATOM 1746 CB LEU A 123 14.242 3.458 -24.710 1.00 0.00 C ATOM 1747 CG LEU A 123 13.434 4.652 -24.186 1.00 0.00 C ATOM 1748 CD1 LEU A 123 12.016 4.250 -23.813 1.00 0.00 C ATOM 1749 CD2 LEU A 123 14.138 5.280 -22.995 1.00 0.00 C ATOM 0 H LEU A 123 12.693 1.494 -24.697 1.00 0.00 H new ATOM 0 HA LEU A 123 13.191 3.576 -26.565 1.00 0.00 H new ATOM 0 HB2 LEU A 123 14.287 2.700 -23.928 1.00 0.00 H new ATOM 0 HB3 LEU A 123 15.265 3.787 -24.895 1.00 0.00 H new ATOM 0 HG LEU A 123 13.367 5.387 -24.988 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.475 5.122 -23.446 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.508 3.851 -24.691 1.00 0.00 H new ATOM 0 HD13 LEU A 123 12.047 3.488 -23.034 1.00 0.00 H new ATOM 0 HD21 LEU A 123 13.555 6.126 -22.632 1.00 0.00 H new ATOM 0 HD22 LEU A 123 14.238 4.541 -22.200 1.00 0.00 H new ATOM 0 HD23 LEU A 123 15.127 5.624 -23.297 1.00 0.00 H new ATOM 1761 N VAL A 124 15.312 1.054 -26.494 1.00 0.00 N ATOM 1762 CA VAL A 124 16.329 0.386 -27.300 1.00 0.00 C ATOM 1763 C VAL A 124 15.824 0.222 -28.728 1.00 0.00 C ATOM 1764 O VAL A 124 16.486 0.615 -29.683 1.00 0.00 O ATOM 1765 CB VAL A 124 16.687 -1.009 -26.739 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.653 -1.734 -27.667 1.00 0.00 C ATOM 1767 CG2 VAL A 124 17.279 -0.899 -25.343 1.00 0.00 C ATOM 0 H VAL A 124 15.004 0.526 -25.678 1.00 0.00 H new ATOM 0 HA VAL A 124 17.224 1.007 -27.275 1.00 0.00 H new ATOM 0 HB VAL A 124 15.766 -1.589 -26.676 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.891 -2.713 -27.252 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.192 -1.858 -28.647 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.568 -1.151 -27.767 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.522 -1.894 -24.971 1.00 0.00 H new ATOM 0 HG22 VAL A 124 18.185 -0.294 -25.379 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.555 -0.430 -24.677 1.00 0.00 H new ATOM 1777 N SER A 125 14.623 -0.328 -28.838 1.00 0.00 N ATOM 1778 CA SER A 125 13.982 -0.579 -30.119 1.00 0.00 C ATOM 1779 C SER A 125 13.869 0.707 -30.942 1.00 0.00 C ATOM 1780 O SER A 125 14.144 0.717 -32.143 1.00 0.00 O ATOM 1781 CB SER A 125 12.596 -1.180 -29.854 1.00 0.00 C ATOM 1782 OG SER A 125 11.942 -1.590 -31.047 1.00 0.00 O ATOM 0 H SER A 125 14.063 -0.614 -28.035 1.00 0.00 H new ATOM 0 HA SER A 125 14.585 -1.277 -30.699 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.697 -2.036 -29.186 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.978 -0.445 -29.339 1.00 0.00 H new ATOM 0 HG SER A 125 11.065 -1.967 -30.826 1.00 0.00 H new ATOM 1788 N MET A 126 13.492 1.794 -30.278 1.00 0.00 N ATOM 1789 CA MET A 126 13.281 3.074 -30.943 1.00 0.00 C ATOM 1790 C MET A 126 14.601 3.776 -31.270 1.00 0.00 C ATOM 1791 O MET A 126 14.837 4.159 -32.417 1.00 0.00 O ATOM 1792 CB MET A 126 12.410 3.974 -30.064 1.00 0.00 C ATOM 1793 CG MET A 126 12.237 5.383 -30.606 1.00 0.00 C ATOM 1794 SD MET A 126 11.188 6.404 -29.556 1.00 0.00 S ATOM 1795 CE MET A 126 12.081 6.326 -28.006 1.00 0.00 C ATOM 0 H MET A 126 13.325 1.813 -29.272 1.00 0.00 H new ATOM 0 HA MET A 126 12.774 2.879 -31.888 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.428 3.515 -29.952 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.851 4.030 -29.069 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.215 5.854 -30.704 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.806 5.334 -31.606 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.795 7.170 -27.378 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.840 5.395 -27.494 1.00 0.00 H new ATOM 0 HE3 MET A 126 13.153 6.366 -28.201 1.00 0.00 H new ATOM 1805 N PHE A 127 15.458 3.938 -30.269 1.00 0.00 N ATOM 1806 CA PHE A 127 16.690 4.706 -30.431 1.00 0.00 C ATOM 1807 C PHE A 127 17.682 4.007 -31.358 1.00 0.00 C ATOM 1808 O PHE A 127 18.513 4.659 -31.988 1.00 0.00 O ATOM 1809 CB PHE A 127 17.339 4.981 -29.071 1.00 0.00 C ATOM 1810 CG PHE A 127 16.634 6.034 -28.261 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.423 7.302 -28.782 1.00 0.00 C ATOM 1812 CD2 PHE A 127 16.198 5.761 -26.976 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.781 8.274 -28.036 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.555 6.727 -26.225 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.349 7.986 -26.756 1.00 0.00 C ATOM 0 H PHE A 127 15.324 3.548 -29.336 1.00 0.00 H new ATOM 0 HA PHE A 127 16.419 5.655 -30.893 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.366 4.054 -28.498 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.373 5.289 -29.228 1.00 0.00 H new ATOM 0 HD1 PHE A 127 16.764 7.533 -29.781 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.362 4.780 -26.555 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.618 9.256 -28.454 1.00 0.00 H new ATOM 0 HE2 PHE A 127 15.215 6.498 -25.226 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.851 8.744 -26.171 1.00 0.00 H new ATOM 1825 N ALA A 128 17.588 2.686 -31.446 1.00 0.00 N ATOM 1826 CA ALA A 128 18.473 1.914 -32.310 1.00 0.00 C ATOM 1827 C ALA A 128 18.293 2.309 -33.770 1.00 0.00 C ATOM 1828 O ALA A 128 19.252 2.671 -34.450 1.00 0.00 O ATOM 1829 CB ALA A 128 18.217 0.426 -32.131 1.00 0.00 C ATOM 0 H ALA A 128 16.908 2.127 -30.930 1.00 0.00 H new ATOM 0 HA ALA A 128 19.502 2.133 -32.024 1.00 0.00 H new ATOM 0 HB1 ALA A 128 18.884 -0.139 -32.782 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.401 0.147 -31.093 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.182 0.201 -32.389 1.00 0.00 H new ATOM 1835 N GLN A 129 17.059 2.265 -34.246 1.00 0.00 N ATOM 1836 CA GLN A 129 16.771 2.586 -35.637 1.00 0.00 C ATOM 1837 C GLN A 129 17.091 4.049 -35.940 1.00 0.00 C ATOM 1838 O GLN A 129 17.432 4.399 -37.069 1.00 0.00 O ATOM 1839 CB GLN A 129 15.314 2.269 -35.961 1.00 0.00 C ATOM 1840 CG GLN A 129 15.008 0.783 -35.896 1.00 0.00 C ATOM 1841 CD GLN A 129 13.556 0.465 -36.166 1.00 0.00 C ATOM 1842 OE1 GLN A 129 12.870 1.178 -36.901 1.00 0.00 O ATOM 1843 NE2 GLN A 129 13.081 -0.618 -35.579 1.00 0.00 N ATOM 0 H GLN A 129 16.241 2.011 -33.692 1.00 0.00 H new ATOM 0 HA GLN A 129 17.409 1.970 -36.271 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.667 2.800 -35.262 1.00 0.00 H new ATOM 0 HB3 GLN A 129 15.079 2.641 -36.958 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.630 0.258 -36.621 1.00 0.00 H new ATOM 0 HG3 GLN A 129 15.279 0.405 -34.910 1.00 0.00 H new ATOM 0 HE21 GLN A 129 13.685 -1.179 -34.978 1.00 0.00 H new ATOM 0 HE22 GLN A 129 12.110 -0.894 -35.726 1.00 0.00 H new