USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=41 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 :FLIP amide:sc=0.000905 F(o=-1.2,f=-0.66) USER MOD Set 1.2: A 118 ASN :FLIP amide:sc= -0.658 X(o=-1.1,f=-0.66) USER MOD Set 2.1: A 103 ASN : amide:sc= 0.646 K(o=1.2,f=-1.4) USER MOD Set 2.2: A 107 GLN : amide:sc= 0.556 K(o=1.2,f=-0.64) USER MOD Set 3.1: A 67 GLN : amide:sc= -0.871 K(o=-2.4,f=-3.4) USER MOD Set 3.2: A 71 MET CE :methyl -176:sc= -1.54 (180deg=-1.57) USER MOD Set 4.1: A 30 MET CE :methyl 180:sc= -0.392 (180deg=-0.365) USER MOD Set 4.2: A 99 SER OG : rot 180:sc= -0.0339 USER MOD Set 5.1: A 11 THR OG1 : rot -78:sc= 0.349 USER MOD Set 5.2: A 12 ASN : amide:sc= 0.112 K(o=0.46,f=-5.2!) USER MOD Single : A 8 THR OG1 : rot 38:sc= 0.379 USER MOD Single : A 18 ASN : amide:sc= 1.13 K(o=1.1,f=-0.063) USER MOD Single : A 20 MET CE :methyl -145:sc= -0.0891 (180deg=-1.73) USER MOD Single : A 21 ASN : amide:sc= 1.18 K(o=1.2,f=-0.028) USER MOD Single : A 22 SER OG : rot 70:sc= -0.509 USER MOD Single : A 24 MET CE :methyl 158:sc= -1.15 (180deg=-2.19!) USER MOD Single : A 25 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.075) USER MOD Single : A 28 SER OG : rot -84:sc= 1.21 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.108 F(o=-0.8,f=-0.11) USER MOD Single : A 41 MET CE :methyl -157:sc= -0.158 (180deg=-0.858) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 72:sc= 0.129 USER MOD Single : A 46 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.22) USER MOD Single : A 47 SER OG : rot 68:sc= 0.346 USER MOD Single : A 48 MET CE :methyl -145:sc= -0.255 (180deg=-1.84) USER MOD Single : A 50 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.15) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 54 SER OG : rot 78:sc= 0.938 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 61 THR OG1 : rot 63:sc= 0.0746 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -2.19 K(o=-2.2,f=-4.6!) USER MOD Single : A 75 SER OG : rot -77:sc= 0.0724 USER MOD Single : A 76 SER OG : rot -82:sc= 1.19 USER MOD Single : A 77 MET CE :methyl -171:sc= -0.561 (180deg=-0.738) USER MOD Single : A 89 SER OG : rot 34:sc= 0.0782 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0876 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 135:sc= 0.409 (180deg=-0.236) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0375 USER MOD Single : A 95 SER OG : rot 84:sc= 0.213 USER MOD Single : A 96 SER OG : rot 76:sc= 0.507 USER MOD Single : A 101 MET CE :methyl 163:sc= -1.75 (180deg=-2.57) USER MOD Single : A 102 SER OG : rot -84:sc= 0.769 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 109 THR OG1 : rot -50:sc= 1.67 USER MOD Single : A 113 ASN : amide:sc= -0.966 K(o=-0.97,f=-6.7!) USER MOD Single : A 121 THR OG1 : rot -91:sc= 1.19 USER MOD Single : A 122 GLN : amide:sc= -0.0919 K(o=-0.092,f=-0.78) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 146:sc= -0.148 (180deg=-1.16) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 13.836 -1.035 -6.786 1.00 0.00 N ATOM 82 CA THR A 8 14.411 -0.458 -7.986 1.00 0.00 C ATOM 83 C THR A 8 15.842 -0.967 -8.132 1.00 0.00 C ATOM 84 O THR A 8 16.565 -1.051 -7.147 1.00 0.00 O ATOM 85 CB THR A 8 14.409 1.085 -7.913 1.00 0.00 C ATOM 86 OG1 THR A 8 13.188 1.542 -7.319 1.00 0.00 O ATOM 87 CG2 THR A 8 14.552 1.716 -9.289 1.00 0.00 C ATOM 0 HA THR A 8 13.813 -0.754 -8.848 1.00 0.00 H new ATOM 0 HB THR A 8 15.264 1.384 -7.306 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.924 0.929 -6.601 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.546 2.802 -9.194 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.491 1.396 -9.740 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.721 1.403 -9.921 1.00 0.00 H new ATOM 95 N PRO A 9 16.269 -1.321 -9.350 1.00 0.00 N ATOM 96 CA PRO A 9 17.602 -1.895 -9.587 1.00 0.00 C ATOM 97 C PRO A 9 18.735 -0.934 -9.230 1.00 0.00 C ATOM 98 O PRO A 9 19.863 -1.357 -8.986 1.00 0.00 O ATOM 99 CB PRO A 9 17.606 -2.188 -11.092 1.00 0.00 C ATOM 100 CG PRO A 9 16.546 -1.305 -11.658 1.00 0.00 C ATOM 101 CD PRO A 9 15.495 -1.190 -10.590 1.00 0.00 C ATOM 0 HA PRO A 9 17.774 -2.773 -8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.578 -1.971 -11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.393 -3.238 -11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.950 -0.326 -11.916 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.130 -1.730 -12.572 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.971 -0.235 -10.640 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.741 -1.972 -10.680 1.00 0.00 H new ATOM 109 N TRP A 10 18.426 0.358 -9.185 1.00 0.00 N ATOM 110 CA TRP A 10 19.443 1.369 -8.936 1.00 0.00 C ATOM 111 C TRP A 10 19.420 1.833 -7.476 1.00 0.00 C ATOM 112 O TRP A 10 20.048 2.833 -7.137 1.00 0.00 O ATOM 113 CB TRP A 10 19.233 2.588 -9.846 1.00 0.00 C ATOM 114 CG TRP A 10 18.946 2.276 -11.290 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.037 2.917 -12.082 1.00 0.00 C ATOM 116 CD2 TRP A 10 19.549 1.265 -12.117 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.042 2.377 -13.344 1.00 0.00 N ATOM 118 CE2 TRP A 10 18.955 1.360 -13.389 1.00 0.00 C ATOM 119 CE3 TRP A 10 20.529 0.290 -11.908 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.308 0.524 -14.443 1.00 0.00 C ATOM 121 CZ3 TRP A 10 20.878 -0.540 -12.955 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.267 -0.419 -14.207 1.00 0.00 C ATOM 0 H TRP A 10 17.484 0.727 -9.317 1.00 0.00 H new ATOM 0 HA TRP A 10 20.409 0.912 -9.151 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.407 3.178 -9.449 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.124 3.214 -9.798 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.405 3.732 -11.762 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.459 2.685 -14.122 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.005 0.188 -10.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 18.841 0.617 -15.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 21.635 -1.295 -12.804 1.00 0.00 H new ATOM 0 HH2 TRP A 10 20.560 -1.086 -15.005 1.00 0.00 H new ATOM 133 N THR A 11 18.695 1.108 -6.619 1.00 0.00 N ATOM 134 CA THR A 11 18.557 1.503 -5.216 1.00 0.00 C ATOM 135 C THR A 11 19.910 1.509 -4.506 1.00 0.00 C ATOM 136 O THR A 11 20.225 2.427 -3.743 1.00 0.00 O ATOM 137 CB THR A 11 17.571 0.583 -4.449 1.00 0.00 C ATOM 138 OG1 THR A 11 17.477 0.991 -3.076 1.00 0.00 O ATOM 139 CG2 THR A 11 17.999 -0.880 -4.506 1.00 0.00 C ATOM 0 H THR A 11 18.199 0.253 -6.870 1.00 0.00 H new ATOM 0 HA THR A 11 18.152 2.515 -5.217 1.00 0.00 H new ATOM 0 HB THR A 11 16.599 0.676 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.266 0.677 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.282 -1.490 -3.957 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.035 -1.208 -5.545 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.986 -0.988 -4.057 1.00 0.00 H new ATOM 147 N ASN A 12 20.706 0.484 -4.766 1.00 0.00 N ATOM 148 CA ASN A 12 22.010 0.352 -4.143 1.00 0.00 C ATOM 149 C ASN A 12 23.066 0.155 -5.217 1.00 0.00 C ATOM 150 O ASN A 12 22.829 -0.550 -6.200 1.00 0.00 O ATOM 151 CB ASN A 12 22.048 -0.831 -3.162 1.00 0.00 C ATOM 152 CG ASN A 12 21.178 -0.641 -1.927 1.00 0.00 C ATOM 153 OD1 ASN A 12 20.121 -0.013 -1.971 1.00 0.00 O ATOM 154 ND2 ASN A 12 21.628 -1.183 -0.807 1.00 0.00 N ATOM 0 H ASN A 12 20.468 -0.272 -5.408 1.00 0.00 H new ATOM 0 HA ASN A 12 22.212 1.264 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.728 -1.733 -3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.078 -0.995 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 12 21.094 -1.087 0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.509 -1.697 -0.807 1.00 0.00 H new ATOM 161 N PRO A 13 24.244 0.769 -5.047 1.00 0.00 N ATOM 162 CA PRO A 13 25.336 0.669 -6.018 1.00 0.00 C ATOM 163 C PRO A 13 25.800 -0.773 -6.214 1.00 0.00 C ATOM 164 O PRO A 13 26.067 -1.201 -7.337 1.00 0.00 O ATOM 165 CB PRO A 13 26.451 1.525 -5.403 1.00 0.00 C ATOM 166 CG PRO A 13 26.100 1.657 -3.962 1.00 0.00 C ATOM 167 CD PRO A 13 24.601 1.615 -3.898 1.00 0.00 C ATOM 0 HA PRO A 13 25.034 1.006 -7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.424 1.051 -5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.508 2.501 -5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 13 26.539 0.848 -3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.482 2.591 -3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 13 24.249 1.189 -2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.166 2.611 -3.979 1.00 0.00 H new ATOM 175 N GLY A 14 25.876 -1.521 -5.117 1.00 0.00 N ATOM 176 CA GLY A 14 26.260 -2.920 -5.189 1.00 0.00 C ATOM 177 C GLY A 14 25.213 -3.765 -5.888 1.00 0.00 C ATOM 178 O GLY A 14 25.541 -4.744 -6.561 1.00 0.00 O ATOM 0 H GLY A 14 25.678 -1.182 -4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.209 -3.008 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.421 -3.303 -4.181 1.00 0.00 H new ATOM 182 N LEU A 15 23.950 -3.378 -5.742 1.00 0.00 N ATOM 183 CA LEU A 15 22.850 -4.074 -6.400 1.00 0.00 C ATOM 184 C LEU A 15 22.985 -3.895 -7.907 1.00 0.00 C ATOM 185 O LEU A 15 23.107 -4.867 -8.651 1.00 0.00 O ATOM 186 CB LEU A 15 21.506 -3.507 -5.906 1.00 0.00 C ATOM 187 CG LEU A 15 20.247 -4.358 -6.159 1.00 0.00 C ATOM 188 CD1 LEU A 15 19.975 -4.561 -7.644 1.00 0.00 C ATOM 189 CD2 LEU A 15 20.355 -5.698 -5.445 1.00 0.00 C ATOM 0 H LEU A 15 23.662 -2.583 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 15 22.883 -5.137 -6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.587 -3.334 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.357 -2.535 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 15 19.399 -3.807 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.078 -5.167 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.829 -3.593 -8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.823 -5.069 -8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.457 -6.285 -5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 15 21.227 -6.238 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 15 20.459 -5.532 -4.373 1.00 0.00 H new ATOM 201 N ALA A 16 22.976 -2.637 -8.332 1.00 0.00 N ATOM 202 CA ALA A 16 23.136 -2.281 -9.739 1.00 0.00 C ATOM 203 C ALA A 16 24.387 -2.917 -10.342 1.00 0.00 C ATOM 204 O ALA A 16 24.382 -3.351 -11.494 1.00 0.00 O ATOM 205 CB ALA A 16 23.201 -0.772 -9.885 1.00 0.00 C ATOM 0 H ALA A 16 22.858 -1.835 -7.713 1.00 0.00 H new ATOM 0 HA ALA A 16 22.272 -2.665 -10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 16 23.320 -0.513 -10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 16 22.280 -0.330 -9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.049 -0.388 -9.318 1.00 0.00 H new ATOM 211 N GLU A 17 25.456 -2.970 -9.556 1.00 0.00 N ATOM 212 CA GLU A 17 26.703 -3.578 -9.999 1.00 0.00 C ATOM 213 C GLU A 17 26.501 -5.058 -10.313 1.00 0.00 C ATOM 214 O GLU A 17 26.878 -5.532 -11.386 1.00 0.00 O ATOM 215 CB GLU A 17 27.777 -3.410 -8.927 1.00 0.00 C ATOM 216 CG GLU A 17 29.150 -3.895 -9.355 1.00 0.00 C ATOM 217 CD GLU A 17 30.188 -3.688 -8.278 1.00 0.00 C ATOM 218 OE1 GLU A 17 30.731 -2.570 -8.176 1.00 0.00 O ATOM 219 OE2 GLU A 17 30.461 -4.639 -7.520 1.00 0.00 O ATOM 0 H GLU A 17 25.483 -2.598 -8.607 1.00 0.00 H new ATOM 0 HA GLU A 17 27.027 -3.075 -10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.843 -2.357 -8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.472 -3.953 -8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.097 -4.954 -9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 17 29.455 -3.366 -10.258 1.00 0.00 H new ATOM 226 N ASN A 18 25.893 -5.783 -9.380 1.00 0.00 N ATOM 227 CA ASN A 18 25.621 -7.199 -9.573 1.00 0.00 C ATOM 228 C ASN A 18 24.614 -7.410 -10.697 1.00 0.00 C ATOM 229 O ASN A 18 24.662 -8.417 -11.403 1.00 0.00 O ATOM 230 CB ASN A 18 25.108 -7.827 -8.278 1.00 0.00 C ATOM 231 CG ASN A 18 26.220 -8.181 -7.310 1.00 0.00 C ATOM 232 OD1 ASN A 18 26.797 -9.266 -7.378 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.527 -7.274 -6.397 1.00 0.00 N ATOM 0 H ASN A 18 25.580 -5.411 -8.483 1.00 0.00 H new ATOM 0 HA ASN A 18 26.554 -7.688 -9.853 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.419 -7.135 -7.794 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.541 -8.727 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.264 -7.463 -5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 18 26.026 -6.386 -6.372 1.00 0.00 H new ATOM 240 N PHE A 19 23.709 -6.451 -10.861 1.00 0.00 N ATOM 241 CA PHE A 19 22.746 -6.480 -11.954 1.00 0.00 C ATOM 242 C PHE A 19 23.476 -6.478 -13.293 1.00 0.00 C ATOM 243 O PHE A 19 23.219 -7.322 -14.147 1.00 0.00 O ATOM 244 CB PHE A 19 21.800 -5.277 -11.861 1.00 0.00 C ATOM 245 CG PHE A 19 20.749 -5.236 -12.937 1.00 0.00 C ATOM 246 CD1 PHE A 19 19.568 -5.947 -12.796 1.00 0.00 C ATOM 247 CD2 PHE A 19 20.940 -4.483 -14.088 1.00 0.00 C ATOM 248 CE1 PHE A 19 18.598 -5.909 -13.781 1.00 0.00 C ATOM 249 CE2 PHE A 19 19.973 -4.445 -15.076 1.00 0.00 C ATOM 250 CZ PHE A 19 18.801 -5.157 -14.921 1.00 0.00 C ATOM 0 H PHE A 19 23.623 -5.641 -10.247 1.00 0.00 H new ATOM 0 HA PHE A 19 22.154 -7.392 -11.878 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.308 -5.290 -10.888 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.389 -4.361 -11.908 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.403 -6.537 -11.907 1.00 0.00 H new ATOM 0 HD2 PHE A 19 21.854 -3.921 -14.213 1.00 0.00 H new ATOM 0 HE1 PHE A 19 17.682 -6.468 -13.659 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.135 -3.858 -15.968 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.044 -5.126 -15.690 1.00 0.00 H new ATOM 260 N MET A 20 24.402 -5.539 -13.457 1.00 0.00 N ATOM 261 CA MET A 20 25.184 -5.440 -14.687 1.00 0.00 C ATOM 262 C MET A 20 26.059 -6.673 -14.870 1.00 0.00 C ATOM 263 O MET A 20 26.266 -7.140 -15.989 1.00 0.00 O ATOM 264 CB MET A 20 26.058 -4.185 -14.677 1.00 0.00 C ATOM 265 CG MET A 20 25.268 -2.889 -14.644 1.00 0.00 C ATOM 266 SD MET A 20 24.213 -2.681 -16.088 1.00 0.00 S ATOM 267 CE MET A 20 23.470 -1.098 -15.717 1.00 0.00 C ATOM 0 H MET A 20 24.630 -4.835 -12.755 1.00 0.00 H new ATOM 0 HA MET A 20 24.485 -5.375 -15.521 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.718 -4.220 -13.810 1.00 0.00 H new ATOM 0 HB3 MET A 20 26.694 -4.189 -15.562 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.654 -2.866 -13.744 1.00 0.00 H new ATOM 0 HG3 MET A 20 25.959 -2.049 -14.580 1.00 0.00 H new ATOM 0 HE1 MET A 20 22.441 -1.085 -16.077 1.00 0.00 H new ATOM 0 HE2 MET A 20 23.479 -0.936 -14.639 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.036 -0.306 -16.208 1.00 0.00 H new ATOM 277 N ASN A 21 26.566 -7.198 -13.761 1.00 0.00 N ATOM 278 CA ASN A 21 27.373 -8.406 -13.781 1.00 0.00 C ATOM 279 C ASN A 21 26.582 -9.565 -14.367 1.00 0.00 C ATOM 280 O ASN A 21 26.988 -10.163 -15.364 1.00 0.00 O ATOM 281 CB ASN A 21 27.834 -8.751 -12.367 1.00 0.00 C ATOM 282 CG ASN A 21 29.194 -8.175 -12.031 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.220 -8.818 -12.240 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.217 -6.961 -11.507 1.00 0.00 N ATOM 0 H ASN A 21 26.430 -6.801 -12.832 1.00 0.00 H new ATOM 0 HA ASN A 21 28.247 -8.229 -14.408 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.101 -8.379 -11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 21 27.867 -9.835 -12.256 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.107 -6.528 -11.262 1.00 0.00 H new ATOM 0 HD22 ASN A 21 28.344 -6.458 -11.348 1.00 0.00 H new ATOM 291 N SER A 22 25.434 -9.854 -13.764 1.00 0.00 N ATOM 292 CA SER A 22 24.586 -10.941 -14.222 1.00 0.00 C ATOM 293 C SER A 22 24.045 -10.646 -15.620 1.00 0.00 C ATOM 294 O SER A 22 23.812 -11.563 -16.411 1.00 0.00 O ATOM 295 CB SER A 22 23.438 -11.173 -13.239 1.00 0.00 C ATOM 296 OG SER A 22 22.668 -12.304 -13.608 1.00 0.00 O ATOM 0 H SER A 22 25.072 -9.348 -12.956 1.00 0.00 H new ATOM 0 HA SER A 22 25.186 -11.850 -14.272 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.838 -11.314 -12.235 1.00 0.00 H new ATOM 0 HB3 SER A 22 22.800 -10.290 -13.206 1.00 0.00 H new ATOM 0 HG SER A 22 23.193 -13.119 -13.463 1.00 0.00 H new ATOM 302 N PHE A 23 23.853 -9.362 -15.917 1.00 0.00 N ATOM 303 CA PHE A 23 23.432 -8.934 -17.242 1.00 0.00 C ATOM 304 C PHE A 23 24.439 -9.399 -18.288 1.00 0.00 C ATOM 305 O PHE A 23 24.077 -10.054 -19.265 1.00 0.00 O ATOM 306 CB PHE A 23 23.283 -7.410 -17.294 1.00 0.00 C ATOM 307 CG PHE A 23 22.952 -6.878 -18.661 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.717 -7.128 -19.235 1.00 0.00 C ATOM 309 CD2 PHE A 23 23.879 -6.128 -19.369 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.412 -6.639 -20.490 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.579 -5.638 -20.625 1.00 0.00 C ATOM 312 CZ PHE A 23 22.344 -5.895 -21.187 1.00 0.00 C ATOM 0 H PHE A 23 23.984 -8.600 -15.252 1.00 0.00 H new ATOM 0 HA PHE A 23 22.463 -9.383 -17.459 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.501 -7.107 -16.598 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.211 -6.952 -16.951 1.00 0.00 H new ATOM 0 HD1 PHE A 23 20.985 -7.711 -18.696 1.00 0.00 H new ATOM 0 HD2 PHE A 23 24.846 -5.925 -18.933 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.445 -6.838 -20.927 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.309 -5.055 -21.167 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.107 -5.515 -22.170 1.00 0.00 H new ATOM 322 N MET A 24 25.703 -9.077 -18.057 1.00 0.00 N ATOM 323 CA MET A 24 26.769 -9.447 -18.979 1.00 0.00 C ATOM 324 C MET A 24 26.959 -10.961 -19.008 1.00 0.00 C ATOM 325 O MET A 24 27.205 -11.542 -20.066 1.00 0.00 O ATOM 326 CB MET A 24 28.081 -8.764 -18.582 1.00 0.00 C ATOM 327 CG MET A 24 28.048 -7.244 -18.667 1.00 0.00 C ATOM 328 SD MET A 24 28.616 -6.595 -20.256 1.00 0.00 S ATOM 329 CE MET A 24 27.379 -7.215 -21.389 1.00 0.00 C ATOM 0 H MET A 24 26.017 -8.559 -17.237 1.00 0.00 H new ATOM 0 HA MET A 24 26.484 -9.113 -19.977 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.333 -9.054 -17.562 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.879 -9.135 -19.225 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.029 -6.900 -18.487 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.669 -6.830 -17.872 1.00 0.00 H new ATOM 0 HE1 MET A 24 27.369 -6.600 -22.289 1.00 0.00 H new ATOM 0 HE2 MET A 24 27.614 -8.245 -21.656 1.00 0.00 H new ATOM 0 HE3 MET A 24 26.399 -7.178 -20.914 1.00 0.00 H new ATOM 339 N GLN A 25 26.836 -11.595 -17.841 1.00 0.00 N ATOM 340 CA GLN A 25 26.933 -13.051 -17.740 1.00 0.00 C ATOM 341 C GLN A 25 25.923 -13.729 -18.656 1.00 0.00 C ATOM 342 O GLN A 25 26.238 -14.706 -19.333 1.00 0.00 O ATOM 343 CB GLN A 25 26.698 -13.508 -16.301 1.00 0.00 C ATOM 344 CG GLN A 25 27.793 -13.100 -15.330 1.00 0.00 C ATOM 345 CD GLN A 25 29.126 -13.744 -15.647 1.00 0.00 C ATOM 346 OE1 GLN A 25 29.405 -14.859 -15.213 1.00 0.00 O ATOM 347 NE2 GLN A 25 29.969 -13.037 -16.379 1.00 0.00 N ATOM 0 H GLN A 25 26.669 -11.123 -16.953 1.00 0.00 H new ATOM 0 HA GLN A 25 27.939 -13.337 -18.049 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.749 -13.100 -15.953 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.602 -14.594 -16.288 1.00 0.00 H new ATOM 0 HG2 GLN A 25 27.904 -12.016 -15.349 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.495 -13.372 -14.317 1.00 0.00 H new ATOM 0 HE21 GLN A 25 29.699 -12.115 -16.720 1.00 0.00 H new ATOM 0 HE22 GLN A 25 30.890 -13.414 -16.603 1.00 0.00 H new ATOM 356 N GLY A 26 24.709 -13.202 -18.677 1.00 0.00 N ATOM 357 CA GLY A 26 23.682 -13.757 -19.530 1.00 0.00 C ATOM 358 C GLY A 26 23.825 -13.309 -20.970 1.00 0.00 C ATOM 359 O GLY A 26 23.582 -14.082 -21.895 1.00 0.00 O ATOM 0 H GLY A 26 24.417 -12.400 -18.118 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.724 -14.845 -19.485 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.702 -13.460 -19.155 1.00 0.00 H new ATOM 363 N LEU A 27 24.240 -12.062 -21.162 1.00 0.00 N ATOM 364 CA LEU A 27 24.329 -11.480 -22.495 1.00 0.00 C ATOM 365 C LEU A 27 25.431 -12.135 -23.321 1.00 0.00 C ATOM 366 O LEU A 27 25.333 -12.215 -24.542 1.00 0.00 O ATOM 367 CB LEU A 27 24.585 -9.978 -22.416 1.00 0.00 C ATOM 368 CG LEU A 27 24.172 -9.202 -23.664 1.00 0.00 C ATOM 369 CD1 LEU A 27 22.663 -9.032 -23.699 1.00 0.00 C ATOM 370 CD2 LEU A 27 24.870 -7.857 -23.718 1.00 0.00 C ATOM 0 H LEU A 27 24.521 -11.434 -20.409 1.00 0.00 H new ATOM 0 HA LEU A 27 23.372 -11.659 -22.985 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.048 -9.575 -21.558 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.647 -9.812 -22.234 1.00 0.00 H new ATOM 0 HG LEU A 27 24.476 -9.770 -24.543 1.00 0.00 H new ATOM 0 HD11 LEU A 27 22.380 -8.477 -24.593 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.187 -10.012 -23.714 1.00 0.00 H new ATOM 0 HD13 LEU A 27 22.338 -8.484 -22.814 1.00 0.00 H new ATOM 0 HD21 LEU A 27 24.560 -7.322 -24.616 1.00 0.00 H new ATOM 0 HD22 LEU A 27 24.603 -7.273 -22.837 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.949 -8.008 -23.740 1.00 0.00 H new ATOM 382 N SER A 28 26.471 -12.619 -22.653 1.00 0.00 N ATOM 383 CA SER A 28 27.582 -13.254 -23.337 1.00 0.00 C ATOM 384 C SER A 28 27.204 -14.651 -23.834 1.00 0.00 C ATOM 385 O SER A 28 28.031 -15.370 -24.394 1.00 0.00 O ATOM 386 CB SER A 28 28.790 -13.310 -22.404 1.00 0.00 C ATOM 387 OG SER A 28 28.416 -13.736 -21.105 1.00 0.00 O ATOM 0 H SER A 28 26.565 -12.582 -21.638 1.00 0.00 H new ATOM 0 HA SER A 28 27.839 -12.661 -24.215 1.00 0.00 H new ATOM 0 HB2 SER A 28 29.536 -13.991 -22.812 1.00 0.00 H new ATOM 0 HB3 SER A 28 29.254 -12.326 -22.347 1.00 0.00 H new ATOM 0 HG SER A 28 28.096 -12.967 -20.588 1.00 0.00 H new ATOM 393 N SER A 29 25.953 -15.030 -23.609 1.00 0.00 N ATOM 394 CA SER A 29 25.407 -16.252 -24.161 1.00 0.00 C ATOM 395 C SER A 29 24.281 -15.931 -25.140 1.00 0.00 C ATOM 396 O SER A 29 23.639 -16.829 -25.686 1.00 0.00 O ATOM 397 CB SER A 29 24.882 -17.141 -23.038 1.00 0.00 C ATOM 398 OG SER A 29 25.925 -17.542 -22.164 1.00 0.00 O ATOM 0 H SER A 29 25.294 -14.498 -23.040 1.00 0.00 H new ATOM 0 HA SER A 29 26.197 -16.781 -24.695 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.119 -16.605 -22.474 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.403 -18.023 -23.464 1.00 0.00 H new ATOM 0 HG SER A 29 25.557 -18.109 -21.454 1.00 0.00 H new ATOM 404 N MET A 30 24.045 -14.643 -25.361 1.00 0.00 N ATOM 405 CA MET A 30 22.945 -14.202 -26.202 1.00 0.00 C ATOM 406 C MET A 30 23.394 -14.006 -27.642 1.00 0.00 C ATOM 407 O MET A 30 24.474 -13.477 -27.901 1.00 0.00 O ATOM 408 CB MET A 30 22.369 -12.890 -25.682 1.00 0.00 C ATOM 409 CG MET A 30 21.756 -12.976 -24.293 1.00 0.00 C ATOM 410 SD MET A 30 20.320 -14.062 -24.211 1.00 0.00 S ATOM 411 CE MET A 30 19.807 -13.800 -22.513 1.00 0.00 C ATOM 0 H MET A 30 24.604 -13.886 -24.967 1.00 0.00 H new ATOM 0 HA MET A 30 22.181 -14.979 -26.172 1.00 0.00 H new ATOM 0 HB2 MET A 30 23.160 -12.140 -25.670 1.00 0.00 H new ATOM 0 HB3 MET A 30 21.608 -12.540 -26.380 1.00 0.00 H new ATOM 0 HG2 MET A 30 22.511 -13.331 -23.592 1.00 0.00 H new ATOM 0 HG3 MET A 30 21.465 -11.976 -23.970 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.925 -14.405 -22.302 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.614 -14.089 -21.840 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.569 -12.747 -22.363 1.00 0.00 H new ATOM 421 N PRO A 31 22.567 -14.443 -28.595 1.00 0.00 N ATOM 422 CA PRO A 31 22.800 -14.203 -30.014 1.00 0.00 C ATOM 423 C PRO A 31 22.358 -12.801 -30.429 1.00 0.00 C ATOM 424 O PRO A 31 21.572 -12.150 -29.729 1.00 0.00 O ATOM 425 CB PRO A 31 21.936 -15.266 -30.688 1.00 0.00 C ATOM 426 CG PRO A 31 20.805 -15.493 -29.742 1.00 0.00 C ATOM 427 CD PRO A 31 21.334 -15.217 -28.360 1.00 0.00 C ATOM 0 HA PRO A 31 23.854 -14.262 -30.284 1.00 0.00 H new ATOM 0 HB2 PRO A 31 21.577 -14.926 -31.660 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.499 -16.184 -30.859 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.968 -14.835 -29.975 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.436 -16.516 -29.818 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.617 -14.653 -27.764 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.540 -16.141 -27.820 1.00 0.00 H new ATOM 435 N GLY A 32 22.870 -12.331 -31.557 1.00 0.00 N ATOM 436 CA GLY A 32 22.485 -11.026 -32.052 1.00 0.00 C ATOM 437 C GLY A 32 23.574 -9.990 -31.866 1.00 0.00 C ATOM 438 O GLY A 32 23.505 -8.900 -32.428 1.00 0.00 O ATOM 0 H GLY A 32 23.544 -12.829 -32.138 1.00 0.00 H new ATOM 0 HA2 GLY A 32 22.237 -11.101 -33.111 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.583 -10.697 -31.536 1.00 0.00 H new ATOM 442 N PHE A 33 24.580 -10.324 -31.072 1.00 0.00 N ATOM 443 CA PHE A 33 25.685 -9.414 -30.818 1.00 0.00 C ATOM 444 C PHE A 33 27.005 -10.040 -31.255 1.00 0.00 C ATOM 445 O PHE A 33 27.024 -11.053 -31.954 1.00 0.00 O ATOM 446 CB PHE A 33 25.746 -9.042 -29.331 1.00 0.00 C ATOM 447 CG PHE A 33 24.600 -8.188 -28.854 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.617 -6.811 -29.038 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.512 -8.758 -28.210 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.574 -6.024 -28.591 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.466 -7.975 -27.760 1.00 0.00 C ATOM 452 CZ PHE A 33 22.497 -6.606 -27.950 1.00 0.00 C ATOM 0 H PHE A 33 24.653 -11.221 -30.592 1.00 0.00 H new ATOM 0 HA PHE A 33 25.519 -8.507 -31.399 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.770 -9.958 -28.741 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.680 -8.514 -29.139 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.457 -6.350 -29.537 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.482 -9.827 -28.058 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.600 -4.955 -28.742 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.625 -8.432 -27.260 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.681 -5.992 -27.598 1.00 0.00 H new ATOM 462 N THR A 34 28.099 -9.418 -30.853 1.00 0.00 N ATOM 463 CA THR A 34 29.428 -9.920 -31.149 1.00 0.00 C ATOM 464 C THR A 34 30.396 -9.437 -30.080 1.00 0.00 C ATOM 465 O THR A 34 30.026 -8.605 -29.247 1.00 0.00 O ATOM 466 CB THR A 34 29.906 -9.483 -32.553 1.00 0.00 C ATOM 467 OG1 THR A 34 31.177 -10.067 -32.850 1.00 0.00 O ATOM 468 CG2 THR A 34 30.002 -7.969 -32.654 1.00 0.00 C ATOM 0 H THR A 34 28.091 -8.553 -30.313 1.00 0.00 H new ATOM 0 HA THR A 34 29.394 -11.009 -31.148 1.00 0.00 H new ATOM 0 HB THR A 34 29.171 -9.832 -33.278 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.467 -9.783 -33.742 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.341 -7.692 -33.652 1.00 0.00 H new ATOM 0 HG22 THR A 34 29.022 -7.529 -32.468 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.712 -7.599 -31.914 1.00 0.00 H new ATOM 476 N ALA A 35 31.622 -9.947 -30.116 1.00 0.00 N ATOM 477 CA ALA A 35 32.615 -9.668 -29.085 1.00 0.00 C ATOM 478 C ALA A 35 32.784 -8.172 -28.846 1.00 0.00 C ATOM 479 O ALA A 35 32.826 -7.724 -27.702 1.00 0.00 O ATOM 480 CB ALA A 35 33.949 -10.298 -29.455 1.00 0.00 C ATOM 0 H ALA A 35 31.955 -10.563 -30.858 1.00 0.00 H new ATOM 0 HA ALA A 35 32.255 -10.108 -28.155 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.681 -10.082 -28.677 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.828 -11.377 -29.550 1.00 0.00 H new ATOM 0 HB3 ALA A 35 34.295 -9.887 -30.403 1.00 0.00 H new ATOM 486 N SER A 36 32.845 -7.400 -29.923 1.00 0.00 N ATOM 487 CA SER A 36 33.055 -5.962 -29.807 1.00 0.00 C ATOM 488 C SER A 36 31.831 -5.298 -29.188 1.00 0.00 C ATOM 489 O SER A 36 31.951 -4.493 -28.267 1.00 0.00 O ATOM 490 CB SER A 36 33.361 -5.346 -31.175 1.00 0.00 C ATOM 491 OG SER A 36 33.817 -4.007 -31.053 1.00 0.00 O ATOM 0 H SER A 36 32.753 -7.741 -30.880 1.00 0.00 H new ATOM 0 HA SER A 36 33.913 -5.792 -29.156 1.00 0.00 H new ATOM 0 HB2 SER A 36 34.117 -5.944 -31.683 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.465 -5.371 -31.795 1.00 0.00 H new ATOM 0 HG SER A 36 34.005 -3.643 -31.943 1.00 0.00 H new ATOM 497 N GLN A 37 30.650 -5.663 -29.679 1.00 0.00 N ATOM 498 CA GLN A 37 29.410 -5.088 -29.176 1.00 0.00 C ATOM 499 C GLN A 37 29.203 -5.428 -27.703 1.00 0.00 C ATOM 500 O GLN A 37 28.660 -4.626 -26.943 1.00 0.00 O ATOM 501 CB GLN A 37 28.207 -5.552 -30.007 1.00 0.00 C ATOM 502 CG GLN A 37 27.828 -4.585 -31.122 1.00 0.00 C ATOM 503 CD GLN A 37 28.899 -4.447 -32.188 1.00 0.00 C ATOM 504 OE1 GLN A 37 28.766 -5.211 -33.259 1.00 0.00 O flip ATOM 505 NE2 GLN A 37 29.820 -3.646 -32.064 1.00 0.00 N flip ATOM 0 H GLN A 37 30.527 -6.351 -30.422 1.00 0.00 H new ATOM 0 HA GLN A 37 29.491 -4.005 -29.268 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.430 -6.526 -30.442 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.350 -5.687 -29.347 1.00 0.00 H new ATOM 0 HG2 GLN A 37 26.903 -4.924 -31.588 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.627 -3.605 -30.690 1.00 0.00 H new ATOM 0 HE21 GLN A 37 29.888 -3.074 -31.222 1.00 0.00 H new ATOM 0 HE22 GLN A 37 30.517 -3.552 -32.803 1.00 0.00 H new ATOM 514 N LEU A 38 29.647 -6.613 -27.303 1.00 0.00 N ATOM 515 CA LEU A 38 29.563 -7.030 -25.908 1.00 0.00 C ATOM 516 C LEU A 38 30.563 -6.255 -25.059 1.00 0.00 C ATOM 517 O LEU A 38 30.237 -5.780 -23.971 1.00 0.00 O ATOM 518 CB LEU A 38 29.828 -8.535 -25.782 1.00 0.00 C ATOM 519 CG LEU A 38 28.822 -9.445 -26.492 1.00 0.00 C ATOM 520 CD1 LEU A 38 29.241 -10.901 -26.369 1.00 0.00 C ATOM 521 CD2 LEU A 38 27.427 -9.248 -25.925 1.00 0.00 C ATOM 0 H LEU A 38 30.069 -7.303 -27.925 1.00 0.00 H new ATOM 0 HA LEU A 38 28.556 -6.818 -25.548 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.822 -8.745 -26.176 1.00 0.00 H new ATOM 0 HB3 LEU A 38 29.843 -8.796 -24.724 1.00 0.00 H new ATOM 0 HG LEU A 38 28.806 -9.176 -27.548 1.00 0.00 H new ATOM 0 HD11 LEU A 38 28.514 -11.533 -26.879 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.223 -11.037 -26.823 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.287 -11.179 -25.316 1.00 0.00 H new ATOM 0 HD21 LEU A 38 26.728 -9.904 -26.443 1.00 0.00 H new ATOM 0 HD22 LEU A 38 27.429 -9.488 -24.862 1.00 0.00 H new ATOM 0 HD23 LEU A 38 27.122 -8.211 -26.062 1.00 0.00 H new ATOM 533 N ASP A 39 31.778 -6.119 -25.578 1.00 0.00 N ATOM 534 CA ASP A 39 32.851 -5.427 -24.870 1.00 0.00 C ATOM 535 C ASP A 39 32.516 -3.958 -24.658 1.00 0.00 C ATOM 536 O ASP A 39 32.701 -3.419 -23.566 1.00 0.00 O ATOM 537 CB ASP A 39 34.159 -5.548 -25.643 1.00 0.00 C ATOM 538 CG ASP A 39 35.312 -4.867 -24.937 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.887 -5.474 -24.006 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.647 -3.721 -25.306 1.00 0.00 O ATOM 0 H ASP A 39 32.047 -6.481 -26.493 1.00 0.00 H new ATOM 0 HA ASP A 39 32.962 -5.899 -23.894 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.396 -6.602 -25.787 1.00 0.00 H new ATOM 0 HB3 ASP A 39 34.034 -5.111 -26.634 1.00 0.00 H new ATOM 545 N ASP A 40 32.011 -3.316 -25.705 1.00 0.00 N ATOM 546 CA ASP A 40 31.632 -1.914 -25.634 1.00 0.00 C ATOM 547 C ASP A 40 30.529 -1.715 -24.613 1.00 0.00 C ATOM 548 O ASP A 40 30.586 -0.805 -23.786 1.00 0.00 O ATOM 549 CB ASP A 40 31.171 -1.413 -27.003 1.00 0.00 C ATOM 550 CG ASP A 40 32.320 -0.982 -27.892 1.00 0.00 C ATOM 551 OD1 ASP A 40 32.812 0.153 -27.723 1.00 0.00 O ATOM 552 OD2 ASP A 40 32.733 -1.772 -28.769 1.00 0.00 O ATOM 0 H ASP A 40 31.855 -3.748 -26.616 1.00 0.00 H new ATOM 0 HA ASP A 40 32.506 -1.340 -25.326 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.608 -2.202 -27.502 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.490 -0.573 -26.866 1.00 0.00 H new ATOM 557 N MET A 41 29.535 -2.591 -24.660 1.00 0.00 N ATOM 558 CA MET A 41 28.412 -2.526 -23.749 1.00 0.00 C ATOM 559 C MET A 41 28.869 -2.748 -22.314 1.00 0.00 C ATOM 560 O MET A 41 28.358 -2.124 -21.388 1.00 0.00 O ATOM 561 CB MET A 41 27.368 -3.562 -24.144 1.00 0.00 C ATOM 562 CG MET A 41 26.061 -3.408 -23.394 1.00 0.00 C ATOM 563 SD MET A 41 24.756 -4.471 -24.037 1.00 0.00 S ATOM 564 CE MET A 41 24.571 -3.829 -25.698 1.00 0.00 C ATOM 0 H MET A 41 29.488 -3.360 -25.328 1.00 0.00 H new ATOM 0 HA MET A 41 27.967 -1.533 -23.810 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.176 -3.486 -25.214 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.768 -4.559 -23.962 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.223 -3.636 -22.341 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.737 -2.369 -23.449 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.578 -4.075 -26.074 1.00 0.00 H new ATOM 0 HE2 MET A 41 24.697 -2.746 -25.686 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.325 -4.275 -26.346 1.00 0.00 H new ATOM 574 N SER A 42 29.852 -3.621 -22.147 1.00 0.00 N ATOM 575 CA SER A 42 30.426 -3.893 -20.838 1.00 0.00 C ATOM 576 C SER A 42 30.991 -2.612 -20.237 1.00 0.00 C ATOM 577 O SER A 42 30.724 -2.281 -19.081 1.00 0.00 O ATOM 578 CB SER A 42 31.523 -4.959 -20.958 1.00 0.00 C ATOM 579 OG SER A 42 32.090 -5.264 -19.695 1.00 0.00 O ATOM 0 H SER A 42 30.271 -4.156 -22.908 1.00 0.00 H new ATOM 0 HA SER A 42 29.644 -4.269 -20.178 1.00 0.00 H new ATOM 0 HB2 SER A 42 31.106 -5.864 -21.399 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.303 -4.606 -21.633 1.00 0.00 H new ATOM 0 HG SER A 42 32.784 -5.947 -19.804 1.00 0.00 H new ATOM 585 N THR A 43 31.744 -1.883 -21.044 1.00 0.00 N ATOM 586 CA THR A 43 32.364 -0.644 -20.608 1.00 0.00 C ATOM 587 C THR A 43 31.312 0.418 -20.282 1.00 0.00 C ATOM 588 O THR A 43 31.447 1.168 -19.310 1.00 0.00 O ATOM 589 CB THR A 43 33.328 -0.126 -21.690 1.00 0.00 C ATOM 590 OG1 THR A 43 34.287 -1.147 -22.000 1.00 0.00 O ATOM 591 CG2 THR A 43 34.051 1.128 -21.227 1.00 0.00 C ATOM 0 H THR A 43 31.942 -2.132 -22.013 1.00 0.00 H new ATOM 0 HA THR A 43 32.927 -0.849 -19.697 1.00 0.00 H new ATOM 0 HB THR A 43 32.747 0.124 -22.578 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.848 -1.868 -22.498 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.725 1.470 -22.012 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.322 1.908 -21.008 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.625 0.906 -20.328 1.00 0.00 H new ATOM 599 N ILE A 44 30.249 0.465 -21.076 1.00 0.00 N ATOM 600 CA ILE A 44 29.165 1.404 -20.822 1.00 0.00 C ATOM 601 C ILE A 44 28.434 1.019 -19.543 1.00 0.00 C ATOM 602 O ILE A 44 28.062 1.878 -18.742 1.00 0.00 O ATOM 603 CB ILE A 44 28.159 1.463 -21.987 1.00 0.00 C ATOM 604 CG1 ILE A 44 28.873 1.759 -23.312 1.00 0.00 C ATOM 605 CG2 ILE A 44 27.098 2.516 -21.704 1.00 0.00 C ATOM 606 CD1 ILE A 44 29.711 3.019 -23.294 1.00 0.00 C ATOM 0 H ILE A 44 30.115 -0.130 -21.893 1.00 0.00 H new ATOM 0 HA ILE A 44 29.612 2.392 -20.718 1.00 0.00 H new ATOM 0 HB ILE A 44 27.675 0.490 -22.077 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.513 0.913 -23.564 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.128 1.842 -24.103 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.391 2.552 -22.532 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.569 2.262 -20.786 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.573 3.490 -21.591 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.182 3.157 -24.267 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.075 3.876 -23.074 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.481 2.933 -22.527 1.00 0.00 H new ATOM 618 N ALA A 45 28.251 -0.279 -19.349 1.00 0.00 N ATOM 619 CA ALA A 45 27.635 -0.794 -18.136 1.00 0.00 C ATOM 620 C ALA A 45 28.455 -0.396 -16.915 1.00 0.00 C ATOM 621 O ALA A 45 27.906 -0.093 -15.857 1.00 0.00 O ATOM 622 CB ALA A 45 27.493 -2.306 -18.210 1.00 0.00 C ATOM 0 H ALA A 45 28.522 -0.998 -20.020 1.00 0.00 H new ATOM 0 HA ALA A 45 26.640 -0.359 -18.043 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.030 -2.673 -17.294 1.00 0.00 H new ATOM 0 HB2 ALA A 45 26.869 -2.572 -19.063 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.478 -2.759 -18.326 1.00 0.00 H new ATOM 628 N GLN A 46 29.777 -0.378 -17.074 1.00 0.00 N ATOM 629 CA GLN A 46 30.661 0.041 -15.996 1.00 0.00 C ATOM 630 C GLN A 46 30.475 1.527 -15.701 1.00 0.00 C ATOM 631 O GLN A 46 30.594 1.958 -14.556 1.00 0.00 O ATOM 632 CB GLN A 46 32.131 -0.240 -16.330 1.00 0.00 C ATOM 633 CG GLN A 46 32.451 -1.702 -16.619 1.00 0.00 C ATOM 634 CD GLN A 46 31.778 -2.663 -15.658 1.00 0.00 C ATOM 635 OE1 GLN A 46 32.293 -2.945 -14.576 1.00 0.00 O ATOM 636 NE2 GLN A 46 30.640 -3.206 -16.065 1.00 0.00 N ATOM 0 H GLN A 46 30.254 -0.647 -17.934 1.00 0.00 H new ATOM 0 HA GLN A 46 30.396 -0.539 -15.112 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.413 0.358 -17.197 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.749 0.095 -15.497 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.142 -1.940 -17.637 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.530 -1.847 -16.571 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.245 -2.946 -16.969 1.00 0.00 H new ATOM 0 HE22 GLN A 46 30.159 -3.884 -15.474 1.00 0.00 H new ATOM 645 N SER A 47 30.159 2.300 -16.737 1.00 0.00 N ATOM 646 CA SER A 47 29.938 3.731 -16.577 1.00 0.00 C ATOM 647 C SER A 47 28.664 3.976 -15.773 1.00 0.00 C ATOM 648 O SER A 47 28.579 4.922 -14.989 1.00 0.00 O ATOM 649 CB SER A 47 29.854 4.400 -17.948 1.00 0.00 C ATOM 650 OG SER A 47 31.019 4.122 -18.709 1.00 0.00 O ATOM 0 H SER A 47 30.051 1.959 -17.692 1.00 0.00 H new ATOM 0 HA SER A 47 30.775 4.167 -16.032 1.00 0.00 H new ATOM 0 HB2 SER A 47 28.972 4.044 -18.480 1.00 0.00 H new ATOM 0 HB3 SER A 47 29.740 5.477 -17.827 1.00 0.00 H new ATOM 0 HG SER A 47 31.039 3.170 -18.941 1.00 0.00 H new ATOM 656 N MET A 48 27.682 3.103 -15.966 1.00 0.00 N ATOM 657 CA MET A 48 26.460 3.135 -15.172 1.00 0.00 C ATOM 658 C MET A 48 26.788 2.866 -13.708 1.00 0.00 C ATOM 659 O MET A 48 26.355 3.596 -12.816 1.00 0.00 O ATOM 660 CB MET A 48 25.462 2.090 -15.680 1.00 0.00 C ATOM 661 CG MET A 48 24.824 2.441 -17.015 1.00 0.00 C ATOM 662 SD MET A 48 23.619 3.779 -16.888 1.00 0.00 S ATOM 663 CE MET A 48 22.359 3.013 -15.866 1.00 0.00 C ATOM 0 H MET A 48 27.709 2.363 -16.667 1.00 0.00 H new ATOM 0 HA MET A 48 26.009 4.123 -15.266 1.00 0.00 H new ATOM 0 HB2 MET A 48 25.972 1.131 -15.774 1.00 0.00 H new ATOM 0 HB3 MET A 48 24.676 1.962 -14.936 1.00 0.00 H new ATOM 0 HG2 MET A 48 25.604 2.727 -17.721 1.00 0.00 H new ATOM 0 HG3 MET A 48 24.335 1.556 -17.422 1.00 0.00 H new ATOM 0 HE1 MET A 48 21.375 3.365 -16.176 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.409 1.930 -15.978 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.527 3.278 -14.822 1.00 0.00 H new ATOM 673 N VAL A 49 27.580 1.825 -13.479 1.00 0.00 N ATOM 674 CA VAL A 49 27.982 1.440 -12.133 1.00 0.00 C ATOM 675 C VAL A 49 28.737 2.572 -11.438 1.00 0.00 C ATOM 676 O VAL A 49 28.388 2.962 -10.326 1.00 0.00 O ATOM 677 CB VAL A 49 28.866 0.172 -12.150 1.00 0.00 C ATOM 678 CG1 VAL A 49 29.302 -0.207 -10.743 1.00 0.00 C ATOM 679 CG2 VAL A 49 28.125 -0.983 -12.806 1.00 0.00 C ATOM 0 H VAL A 49 27.959 1.229 -14.215 1.00 0.00 H new ATOM 0 HA VAL A 49 27.069 1.226 -11.578 1.00 0.00 H new ATOM 0 HB VAL A 49 29.760 0.390 -12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 49 29.923 -1.102 -10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.874 0.612 -10.306 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.422 -0.403 -10.130 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.761 -1.868 -12.810 1.00 0.00 H new ATOM 0 HG22 VAL A 49 27.213 -1.194 -12.248 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.869 -0.716 -13.831 1.00 0.00 H new ATOM 689 N GLN A 50 29.755 3.107 -12.112 1.00 0.00 N ATOM 690 CA GLN A 50 30.588 4.174 -11.550 1.00 0.00 C ATOM 691 C GLN A 50 29.756 5.387 -11.145 1.00 0.00 C ATOM 692 O GLN A 50 30.029 6.024 -10.124 1.00 0.00 O ATOM 693 CB GLN A 50 31.668 4.600 -12.547 1.00 0.00 C ATOM 694 CG GLN A 50 32.769 3.570 -12.739 1.00 0.00 C ATOM 695 CD GLN A 50 33.571 3.327 -11.474 1.00 0.00 C ATOM 696 OE1 GLN A 50 34.558 4.013 -11.211 1.00 0.00 O ATOM 697 NE2 GLN A 50 33.158 2.348 -10.683 1.00 0.00 N ATOM 0 H GLN A 50 30.025 2.818 -13.052 1.00 0.00 H new ATOM 0 HA GLN A 50 31.063 3.772 -10.655 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.200 4.801 -13.511 1.00 0.00 H new ATOM 0 HB3 GLN A 50 32.114 5.535 -12.208 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.328 2.630 -13.071 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.439 3.904 -13.531 1.00 0.00 H new ATOM 0 HE21 GLN A 50 32.335 1.801 -10.935 1.00 0.00 H new ATOM 0 HE22 GLN A 50 33.663 2.141 -9.821 1.00 0.00 H new ATOM 706 N SER A 51 28.733 5.690 -11.931 1.00 0.00 N ATOM 707 CA SER A 51 27.888 6.837 -11.654 1.00 0.00 C ATOM 708 C SER A 51 27.082 6.588 -10.383 1.00 0.00 C ATOM 709 O SER A 51 26.993 7.452 -9.512 1.00 0.00 O ATOM 710 CB SER A 51 26.955 7.114 -12.837 1.00 0.00 C ATOM 711 OG SER A 51 26.329 8.380 -12.712 1.00 0.00 O ATOM 0 H SER A 51 28.471 5.159 -12.761 1.00 0.00 H new ATOM 0 HA SER A 51 28.518 7.714 -11.507 1.00 0.00 H new ATOM 0 HB2 SER A 51 27.522 7.076 -13.767 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.196 6.334 -12.895 1.00 0.00 H new ATOM 0 HG SER A 51 25.741 8.531 -13.481 1.00 0.00 H new ATOM 717 N ILE A 52 26.530 5.385 -10.267 1.00 0.00 N ATOM 718 CA ILE A 52 25.726 5.014 -9.108 1.00 0.00 C ATOM 719 C ILE A 52 26.596 4.905 -7.855 1.00 0.00 C ATOM 720 O ILE A 52 26.178 5.295 -6.763 1.00 0.00 O ATOM 721 CB ILE A 52 24.983 3.688 -9.359 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.114 3.827 -10.612 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.128 3.313 -8.154 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.550 2.522 -11.113 1.00 0.00 C ATOM 0 H ILE A 52 26.625 4.647 -10.965 1.00 0.00 H new ATOM 0 HA ILE A 52 24.987 5.799 -8.948 1.00 0.00 H new ATOM 0 HB ILE A 52 25.712 2.892 -9.511 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.291 4.509 -10.397 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.707 4.283 -11.405 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.612 2.374 -8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.765 3.199 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.395 4.098 -7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 52 22.946 2.704 -12.002 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.367 1.844 -11.361 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.928 2.073 -10.338 1.00 0.00 H new ATOM 736 N GLN A 53 27.819 4.395 -8.025 1.00 0.00 N ATOM 737 CA GLN A 53 28.788 4.337 -6.928 1.00 0.00 C ATOM 738 C GLN A 53 29.043 5.736 -6.376 1.00 0.00 C ATOM 739 O GLN A 53 29.257 5.918 -5.178 1.00 0.00 O ATOM 740 CB GLN A 53 30.120 3.734 -7.395 1.00 0.00 C ATOM 741 CG GLN A 53 30.047 2.276 -7.827 1.00 0.00 C ATOM 742 CD GLN A 53 29.631 1.334 -6.713 1.00 0.00 C ATOM 743 OE1 GLN A 53 29.860 1.598 -5.532 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.036 0.210 -7.083 1.00 0.00 N ATOM 0 H GLN A 53 28.161 4.018 -8.909 1.00 0.00 H new ATOM 0 HA GLN A 53 28.367 3.701 -6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.498 4.326 -8.228 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.846 3.822 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.340 2.185 -8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.021 1.969 -8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.863 0.026 -8.071 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.751 -0.472 -6.380 1.00 0.00 H new ATOM 753 N SER A 54 29.011 6.722 -7.264 1.00 0.00 N ATOM 754 CA SER A 54 29.244 8.103 -6.883 1.00 0.00 C ATOM 755 C SER A 54 27.981 8.731 -6.299 1.00 0.00 C ATOM 756 O SER A 54 28.034 9.406 -5.273 1.00 0.00 O ATOM 757 CB SER A 54 29.714 8.903 -8.096 1.00 0.00 C ATOM 758 OG SER A 54 30.872 8.318 -8.673 1.00 0.00 O ATOM 0 H SER A 54 28.825 6.586 -8.258 1.00 0.00 H new ATOM 0 HA SER A 54 30.018 8.122 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.917 8.948 -8.838 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.930 9.929 -7.798 1.00 0.00 H new ATOM 0 HG SER A 54 30.613 7.539 -9.208 1.00 0.00 H new ATOM 764 N LEU A 55 26.847 8.495 -6.948 1.00 0.00 N ATOM 765 CA LEU A 55 25.578 9.055 -6.513 1.00 0.00 C ATOM 766 C LEU A 55 25.241 8.632 -5.087 1.00 0.00 C ATOM 767 O LEU A 55 24.753 9.438 -4.294 1.00 0.00 O ATOM 768 CB LEU A 55 24.466 8.624 -7.462 1.00 0.00 C ATOM 769 CG LEU A 55 24.525 9.239 -8.859 1.00 0.00 C ATOM 770 CD1 LEU A 55 23.403 8.693 -9.728 1.00 0.00 C ATOM 771 CD2 LEU A 55 24.448 10.757 -8.780 1.00 0.00 C ATOM 0 H LEU A 55 26.783 7.914 -7.784 1.00 0.00 H new ATOM 0 HA LEU A 55 25.667 10.141 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.494 7.539 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 55 23.507 8.879 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 55 25.478 8.968 -9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 55 23.460 9.142 -10.720 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.502 7.611 -9.813 1.00 0.00 H new ATOM 0 HD13 LEU A 55 22.441 8.935 -9.275 1.00 0.00 H new ATOM 0 HD21 LEU A 55 24.492 11.176 -9.785 1.00 0.00 H new ATOM 0 HD22 LEU A 55 23.512 11.050 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 55 25.286 11.134 -8.193 1.00 0.00 H new ATOM 783 N ALA A 56 25.524 7.378 -4.761 1.00 0.00 N ATOM 784 CA ALA A 56 25.232 6.849 -3.434 1.00 0.00 C ATOM 785 C ALA A 56 26.228 7.360 -2.394 1.00 0.00 C ATOM 786 O ALA A 56 26.002 7.232 -1.193 1.00 0.00 O ATOM 787 CB ALA A 56 25.238 5.330 -3.463 1.00 0.00 C ATOM 0 H ALA A 56 25.956 6.707 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 56 24.241 7.199 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.019 4.946 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 56 24.481 4.976 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 56 26.219 4.976 -3.780 1.00 0.00 H new ATOM 793 N ALA A 57 27.319 7.954 -2.853 1.00 0.00 N ATOM 794 CA ALA A 57 28.347 8.448 -1.953 1.00 0.00 C ATOM 795 C ALA A 57 28.217 9.951 -1.790 1.00 0.00 C ATOM 796 O ALA A 57 28.571 10.515 -0.755 1.00 0.00 O ATOM 797 CB ALA A 57 29.727 8.083 -2.472 1.00 0.00 C ATOM 0 H ALA A 57 27.514 8.105 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 57 28.215 7.979 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.485 8.461 -1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.813 6.999 -2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.875 8.527 -3.456 1.00 0.00 H new ATOM 803 N GLN A 58 27.703 10.593 -2.829 1.00 0.00 N ATOM 804 CA GLN A 58 27.473 12.025 -2.807 1.00 0.00 C ATOM 805 C GLN A 58 26.102 12.341 -2.223 1.00 0.00 C ATOM 806 O GLN A 58 25.765 13.505 -1.999 1.00 0.00 O ATOM 807 CB GLN A 58 27.580 12.606 -4.219 1.00 0.00 C ATOM 808 CG GLN A 58 28.954 12.433 -4.849 1.00 0.00 C ATOM 809 CD GLN A 58 29.013 12.924 -6.285 1.00 0.00 C ATOM 810 OE1 GLN A 58 27.898 12.833 -6.994 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 30.056 13.372 -6.755 1.00 0.00 N flip ATOM 0 H GLN A 58 27.437 10.138 -3.702 1.00 0.00 H new ATOM 0 HA GLN A 58 28.237 12.480 -2.177 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.835 12.129 -4.856 1.00 0.00 H new ATOM 0 HB3 GLN A 58 27.337 13.668 -4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 58 29.691 12.974 -4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 58 29.232 11.379 -4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 58 30.894 13.426 -6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 58 30.084 13.690 -7.724 1.00 0.00 H new ATOM 820 N GLY A 59 25.313 11.296 -1.990 1.00 0.00 N ATOM 821 CA GLY A 59 23.974 11.473 -1.460 1.00 0.00 C ATOM 822 C GLY A 59 23.049 12.122 -2.466 1.00 0.00 C ATOM 823 O GLY A 59 22.217 12.959 -2.113 1.00 0.00 O ATOM 0 H GLY A 59 25.579 10.326 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.569 10.504 -1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 59 24.018 12.086 -0.560 1.00 0.00 H new ATOM 827 N ARG A 60 23.193 11.732 -3.728 1.00 0.00 N ATOM 828 CA ARG A 60 22.414 12.332 -4.801 1.00 0.00 C ATOM 829 C ARG A 60 21.626 11.281 -5.572 1.00 0.00 C ATOM 830 O ARG A 60 21.293 11.479 -6.740 1.00 0.00 O ATOM 831 CB ARG A 60 23.316 13.102 -5.766 1.00 0.00 C ATOM 832 CG ARG A 60 24.026 14.286 -5.132 1.00 0.00 C ATOM 833 CD ARG A 60 24.465 15.287 -6.186 1.00 0.00 C ATOM 834 NE ARG A 60 25.220 16.403 -5.617 1.00 0.00 N ATOM 835 CZ ARG A 60 24.665 17.457 -5.014 1.00 0.00 C ATOM 836 NH1 ARG A 60 23.353 17.509 -4.816 1.00 0.00 N ATOM 837 NH2 ARG A 60 25.428 18.458 -4.599 1.00 0.00 N ATOM 0 H ARG A 60 23.841 11.005 -4.031 1.00 0.00 H new ATOM 0 HA ARG A 60 21.711 13.025 -4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 60 24.062 12.420 -6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.716 13.457 -6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 60 23.362 14.773 -4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 60 24.894 13.937 -4.573 1.00 0.00 H new ATOM 0 HD2 ARG A 60 25.078 14.780 -6.931 1.00 0.00 H new ATOM 0 HD3 ARG A 60 23.587 15.673 -6.704 1.00 0.00 H new ATOM 0 HE ARG A 60 26.237 16.374 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 60 22.760 16.739 -5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 60 22.939 18.319 -4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 60 26.438 18.422 -4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 60 25.006 19.264 -4.138 1.00 0.00 H new ATOM 851 N THR A 61 21.315 10.169 -4.922 1.00 0.00 N ATOM 852 CA THR A 61 20.502 9.133 -5.546 1.00 0.00 C ATOM 853 C THR A 61 19.027 9.501 -5.500 1.00 0.00 C ATOM 854 O THR A 61 18.210 8.833 -4.866 1.00 0.00 O ATOM 855 CB THR A 61 20.728 7.759 -4.891 1.00 0.00 C ATOM 856 OG1 THR A 61 21.130 7.919 -3.519 1.00 0.00 O ATOM 857 CG2 THR A 61 21.780 6.971 -5.652 1.00 0.00 C ATOM 0 H THR A 61 21.611 9.961 -3.968 1.00 0.00 H new ATOM 0 HA THR A 61 20.814 9.062 -6.588 1.00 0.00 H new ATOM 0 HB THR A 61 19.789 7.207 -4.922 1.00 0.00 H new ATOM 0 HG1 THR A 61 20.408 8.349 -3.015 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.926 6.002 -5.174 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.450 6.822 -6.680 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.720 7.522 -5.649 1.00 0.00 H new ATOM 865 N SER A 62 18.709 10.587 -6.173 1.00 0.00 N ATOM 866 CA SER A 62 17.347 11.052 -6.293 1.00 0.00 C ATOM 867 C SER A 62 16.630 10.242 -7.365 1.00 0.00 C ATOM 868 O SER A 62 17.215 9.942 -8.404 1.00 0.00 O ATOM 869 CB SER A 62 17.357 12.531 -6.662 1.00 0.00 C ATOM 870 OG SER A 62 18.244 13.250 -5.823 1.00 0.00 O ATOM 0 H SER A 62 19.392 11.173 -6.653 1.00 0.00 H new ATOM 0 HA SER A 62 16.822 10.924 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.657 12.649 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.351 12.940 -6.572 1.00 0.00 H new ATOM 0 HG SER A 62 18.238 14.197 -6.076 1.00 0.00 H new ATOM 876 N PRO A 63 15.359 9.881 -7.137 1.00 0.00 N ATOM 877 CA PRO A 63 14.598 9.036 -8.066 1.00 0.00 C ATOM 878 C PRO A 63 14.523 9.622 -9.474 1.00 0.00 C ATOM 879 O PRO A 63 14.378 8.886 -10.445 1.00 0.00 O ATOM 880 CB PRO A 63 13.199 8.965 -7.437 1.00 0.00 C ATOM 881 CG PRO A 63 13.154 10.081 -6.446 1.00 0.00 C ATOM 882 CD PRO A 63 14.562 10.256 -5.961 1.00 0.00 C ATOM 0 HA PRO A 63 15.070 8.062 -8.194 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.422 9.079 -8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.034 8.002 -6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.782 10.997 -6.906 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.483 9.844 -5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.758 11.282 -5.650 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.778 9.616 -5.105 1.00 0.00 H new ATOM 890 N ASN A 64 14.647 10.943 -9.583 1.00 0.00 N ATOM 891 CA ASN A 64 14.615 11.604 -10.886 1.00 0.00 C ATOM 892 C ASN A 64 15.873 11.261 -11.685 1.00 0.00 C ATOM 893 O ASN A 64 15.861 11.266 -12.916 1.00 0.00 O ATOM 894 CB ASN A 64 14.470 13.124 -10.727 1.00 0.00 C ATOM 895 CG ASN A 64 15.752 13.807 -10.288 1.00 0.00 C ATOM 896 OD1 ASN A 64 16.072 13.845 -9.101 1.00 0.00 O ATOM 897 ND2 ASN A 64 16.477 14.379 -11.235 1.00 0.00 N ATOM 0 H ASN A 64 14.770 11.573 -8.791 1.00 0.00 H new ATOM 0 HA ASN A 64 13.746 11.241 -11.434 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.145 13.552 -11.675 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.687 13.333 -9.998 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.335 14.874 -10.992 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.178 14.325 -12.209 1.00 0.00 H new ATOM 904 N LYS A 65 16.958 10.954 -10.979 1.00 0.00 N ATOM 905 CA LYS A 65 18.180 10.492 -11.622 1.00 0.00 C ATOM 906 C LYS A 65 17.980 9.069 -12.113 1.00 0.00 C ATOM 907 O LYS A 65 18.241 8.746 -13.271 1.00 0.00 O ATOM 908 CB LYS A 65 19.357 10.529 -10.651 1.00 0.00 C ATOM 909 CG LYS A 65 19.648 11.915 -10.120 1.00 0.00 C ATOM 910 CD LYS A 65 21.128 12.117 -9.893 1.00 0.00 C ATOM 911 CE LYS A 65 21.471 13.590 -9.758 1.00 0.00 C ATOM 912 NZ LYS A 65 21.645 14.253 -11.078 1.00 0.00 N ATOM 0 H LYS A 65 17.014 11.017 -9.963 1.00 0.00 H new ATOM 0 HA LYS A 65 18.402 11.153 -12.460 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.150 9.862 -9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 65 20.245 10.145 -11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 65 19.281 12.661 -10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.110 12.069 -9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 65 21.435 11.586 -8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 65 21.687 11.686 -10.723 1.00 0.00 H new ATOM 0 HE2 LYS A 65 20.681 14.095 -9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 65 22.387 13.696 -9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.878 15.256 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 22.416 13.790 -11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 20.763 14.177 -11.624 1.00 0.00 H new ATOM 926 N LEU A 66 17.478 8.240 -11.209 1.00 0.00 N ATOM 927 CA LEU A 66 17.258 6.822 -11.465 1.00 0.00 C ATOM 928 C LEU A 66 16.290 6.612 -12.628 1.00 0.00 C ATOM 929 O LEU A 66 16.485 5.726 -13.461 1.00 0.00 O ATOM 930 CB LEU A 66 16.722 6.138 -10.198 1.00 0.00 C ATOM 931 CG LEU A 66 17.758 5.849 -9.097 1.00 0.00 C ATOM 932 CD1 LEU A 66 18.480 7.108 -8.647 1.00 0.00 C ATOM 933 CD2 LEU A 66 17.095 5.185 -7.902 1.00 0.00 C ATOM 0 H LEU A 66 17.210 8.534 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 66 18.213 6.374 -11.739 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.937 6.765 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.256 5.196 -10.487 1.00 0.00 H new ATOM 0 HG LEU A 66 18.498 5.173 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.201 6.856 -7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.001 7.551 -9.495 1.00 0.00 H new ATOM 0 HD13 LEU A 66 17.756 7.821 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.843 4.988 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.326 5.845 -7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.640 4.245 -8.214 1.00 0.00 H new ATOM 945 N GLN A 67 15.253 7.440 -12.684 1.00 0.00 N ATOM 946 CA GLN A 67 14.257 7.355 -13.744 1.00 0.00 C ATOM 947 C GLN A 67 14.872 7.731 -15.090 1.00 0.00 C ATOM 948 O GLN A 67 14.630 7.073 -16.101 1.00 0.00 O ATOM 949 CB GLN A 67 13.065 8.266 -13.415 1.00 0.00 C ATOM 950 CG GLN A 67 11.910 8.159 -14.401 1.00 0.00 C ATOM 951 CD GLN A 67 12.095 9.011 -15.644 1.00 0.00 C ATOM 952 OE1 GLN A 67 12.697 10.086 -15.599 1.00 0.00 O ATOM 953 NE2 GLN A 67 11.601 8.522 -16.766 1.00 0.00 N ATOM 0 H GLN A 67 15.080 8.181 -12.004 1.00 0.00 H new ATOM 0 HA GLN A 67 13.902 6.327 -13.813 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.700 8.023 -12.417 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.409 9.300 -13.386 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.792 7.117 -14.698 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.987 8.455 -13.901 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.109 7.628 -16.760 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.711 9.038 -17.639 1.00 0.00 H new ATOM 962 N ALA A 68 15.674 8.783 -15.098 1.00 0.00 N ATOM 963 CA ALA A 68 16.301 9.246 -16.325 1.00 0.00 C ATOM 964 C ALA A 68 17.353 8.256 -16.809 1.00 0.00 C ATOM 965 O ALA A 68 17.563 8.101 -18.016 1.00 0.00 O ATOM 966 CB ALA A 68 16.906 10.621 -16.124 1.00 0.00 C ATOM 0 H ALA A 68 15.906 9.332 -14.270 1.00 0.00 H new ATOM 0 HA ALA A 68 15.532 9.317 -17.094 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.371 10.953 -17.052 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.124 11.324 -15.838 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.658 10.576 -15.337 1.00 0.00 H new ATOM 972 N LEU A 69 18.005 7.580 -15.868 1.00 0.00 N ATOM 973 CA LEU A 69 18.975 6.544 -16.204 1.00 0.00 C ATOM 974 C LEU A 69 18.316 5.439 -17.021 1.00 0.00 C ATOM 975 O LEU A 69 18.934 4.876 -17.913 1.00 0.00 O ATOM 976 CB LEU A 69 19.602 5.949 -14.940 1.00 0.00 C ATOM 977 CG LEU A 69 20.485 6.905 -14.129 1.00 0.00 C ATOM 978 CD1 LEU A 69 21.021 6.207 -12.892 1.00 0.00 C ATOM 979 CD2 LEU A 69 21.633 7.436 -14.979 1.00 0.00 C ATOM 0 H LEU A 69 17.879 7.731 -14.867 1.00 0.00 H new ATOM 0 HA LEU A 69 19.763 7.006 -16.799 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.802 5.586 -14.295 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.200 5.083 -15.225 1.00 0.00 H new ATOM 0 HG LEU A 69 19.874 7.751 -13.816 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.646 6.898 -12.326 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.188 5.879 -12.270 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.614 5.342 -13.190 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.245 8.112 -14.382 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.245 6.603 -15.326 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.231 7.973 -15.838 1.00 0.00 H new ATOM 991 N ASN A 70 17.052 5.162 -16.717 1.00 0.00 N ATOM 992 CA ASN A 70 16.269 4.150 -17.433 1.00 0.00 C ATOM 993 C ASN A 70 16.299 4.392 -18.943 1.00 0.00 C ATOM 994 O ASN A 70 16.570 3.484 -19.729 1.00 0.00 O ATOM 995 CB ASN A 70 14.821 4.184 -16.927 1.00 0.00 C ATOM 996 CG ASN A 70 13.917 3.168 -17.592 1.00 0.00 C ATOM 997 OD1 ASN A 70 13.792 2.040 -17.129 1.00 0.00 O ATOM 998 ND2 ASN A 70 13.250 3.568 -18.665 1.00 0.00 N ATOM 0 H ASN A 70 16.539 5.629 -15.970 1.00 0.00 H new ATOM 0 HA ASN A 70 16.708 3.171 -17.243 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.818 4.010 -15.851 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.413 5.181 -17.090 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.607 2.929 -19.133 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.379 4.515 -19.022 1.00 0.00 H new ATOM 1005 N MET A 71 16.043 5.632 -19.336 1.00 0.00 N ATOM 1006 CA MET A 71 15.985 6.002 -20.746 1.00 0.00 C ATOM 1007 C MET A 71 17.367 5.998 -21.379 1.00 0.00 C ATOM 1008 O MET A 71 17.564 5.484 -22.482 1.00 0.00 O ATOM 1009 CB MET A 71 15.360 7.386 -20.888 1.00 0.00 C ATOM 1010 CG MET A 71 13.893 7.407 -20.516 1.00 0.00 C ATOM 1011 SD MET A 71 13.175 9.061 -20.525 1.00 0.00 S ATOM 1012 CE MET A 71 14.033 9.808 -19.141 1.00 0.00 C ATOM 0 H MET A 71 15.871 6.405 -18.694 1.00 0.00 H new ATOM 0 HA MET A 71 15.373 5.263 -21.264 1.00 0.00 H new ATOM 0 HB2 MET A 71 15.901 8.091 -20.256 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.474 7.728 -21.917 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.340 6.775 -21.212 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.771 6.972 -19.524 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.646 10.813 -18.972 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.877 9.204 -18.247 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.099 9.862 -19.360 1.00 0.00 H new ATOM 1022 N ARG A 72 18.316 6.576 -20.666 1.00 0.00 N ATOM 1023 CA ARG A 72 19.682 6.708 -21.163 1.00 0.00 C ATOM 1024 C ARG A 72 20.361 5.346 -21.265 1.00 0.00 C ATOM 1025 O ARG A 72 21.122 5.092 -22.195 1.00 0.00 O ATOM 1026 CB ARG A 72 20.484 7.649 -20.265 1.00 0.00 C ATOM 1027 CG ARG A 72 19.854 9.027 -20.148 1.00 0.00 C ATOM 1028 CD ARG A 72 20.716 9.976 -19.340 1.00 0.00 C ATOM 1029 NE ARG A 72 20.078 11.289 -19.184 1.00 0.00 N ATOM 1030 CZ ARG A 72 19.991 12.202 -20.156 1.00 0.00 C ATOM 1031 NH1 ARG A 72 20.510 11.967 -21.355 1.00 0.00 N ATOM 1032 NH2 ARG A 72 19.385 13.360 -19.923 1.00 0.00 N ATOM 0 H ARG A 72 18.169 6.965 -19.735 1.00 0.00 H new ATOM 0 HA ARG A 72 19.642 7.136 -22.165 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.572 7.209 -19.272 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.495 7.749 -20.661 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.696 9.440 -21.144 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.874 8.939 -19.680 1.00 0.00 H new ATOM 0 HD2 ARG A 72 20.908 9.546 -18.357 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.682 10.097 -19.830 1.00 0.00 H new ATOM 0 HE ARG A 72 19.675 11.519 -18.276 1.00 0.00 H new ATOM 0 HH11 ARG A 72 20.981 11.082 -21.542 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.437 12.671 -22.089 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.987 13.551 -19.004 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.317 14.058 -20.663 1.00 0.00 H new ATOM 1046 N PHE A 73 20.073 4.475 -20.309 1.00 0.00 N ATOM 1047 CA PHE A 73 20.571 3.102 -20.328 1.00 0.00 C ATOM 1048 C PHE A 73 20.130 2.383 -21.605 1.00 0.00 C ATOM 1049 O PHE A 73 20.932 1.730 -22.271 1.00 0.00 O ATOM 1050 CB PHE A 73 20.067 2.362 -19.080 1.00 0.00 C ATOM 1051 CG PHE A 73 20.387 0.894 -19.033 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.699 0.446 -19.018 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.364 -0.038 -18.978 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.981 -0.906 -18.956 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.638 -1.390 -18.918 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.950 -1.827 -18.906 1.00 0.00 C ATOM 0 H PHE A 73 19.491 4.696 -19.501 1.00 0.00 H new ATOM 0 HA PHE A 73 21.661 3.115 -20.318 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.494 2.839 -18.198 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.986 2.484 -19.017 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.508 1.160 -19.055 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.337 0.297 -18.982 1.00 0.00 H new ATOM 0 HE1 PHE A 73 23.007 -1.243 -18.947 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.829 -2.105 -18.881 1.00 0.00 H new ATOM 0 HZ PHE A 73 21.169 -2.883 -18.858 1.00 0.00 H new ATOM 1066 N ALA A 74 18.858 2.525 -21.947 1.00 0.00 N ATOM 1067 CA ALA A 74 18.316 1.917 -23.152 1.00 0.00 C ATOM 1068 C ALA A 74 18.962 2.486 -24.416 1.00 0.00 C ATOM 1069 O ALA A 74 19.365 1.739 -25.306 1.00 0.00 O ATOM 1070 CB ALA A 74 16.811 2.116 -23.197 1.00 0.00 C ATOM 0 H ALA A 74 18.179 3.059 -21.404 1.00 0.00 H new ATOM 0 HA ALA A 74 18.543 0.851 -23.120 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.410 1.659 -24.102 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.356 1.650 -22.323 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.585 3.182 -23.199 1.00 0.00 H new ATOM 1076 N SER A 75 19.076 3.807 -24.479 1.00 0.00 N ATOM 1077 CA SER A 75 19.560 4.471 -25.682 1.00 0.00 C ATOM 1078 C SER A 75 21.063 4.278 -25.886 1.00 0.00 C ATOM 1079 O SER A 75 21.524 4.164 -27.021 1.00 0.00 O ATOM 1080 CB SER A 75 19.204 5.957 -25.641 1.00 0.00 C ATOM 1081 OG SER A 75 19.402 6.495 -24.344 1.00 0.00 O ATOM 0 H SER A 75 18.840 4.438 -23.713 1.00 0.00 H new ATOM 0 HA SER A 75 19.064 4.008 -26.535 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.816 6.501 -26.361 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.165 6.093 -25.940 1.00 0.00 H new ATOM 0 HG SER A 75 18.658 6.231 -23.763 1.00 0.00 H new ATOM 1087 N SER A 76 21.824 4.221 -24.798 1.00 0.00 N ATOM 1088 CA SER A 76 23.263 4.004 -24.899 1.00 0.00 C ATOM 1089 C SER A 76 23.548 2.615 -25.463 1.00 0.00 C ATOM 1090 O SER A 76 24.444 2.440 -26.292 1.00 0.00 O ATOM 1091 CB SER A 76 23.932 4.185 -23.536 1.00 0.00 C ATOM 1092 OG SER A 76 23.256 3.449 -22.533 1.00 0.00 O ATOM 0 H SER A 76 21.473 4.321 -23.845 1.00 0.00 H new ATOM 0 HA SER A 76 23.680 4.745 -25.580 1.00 0.00 H new ATOM 0 HB2 SER A 76 24.971 3.860 -23.592 1.00 0.00 H new ATOM 0 HB3 SER A 76 23.943 5.242 -23.270 1.00 0.00 H new ATOM 0 HG SER A 76 22.475 3.955 -22.226 1.00 0.00 H new ATOM 1098 N MET A 77 22.767 1.632 -25.026 1.00 0.00 N ATOM 1099 CA MET A 77 22.870 0.286 -25.571 1.00 0.00 C ATOM 1100 C MET A 77 22.364 0.263 -27.004 1.00 0.00 C ATOM 1101 O MET A 77 22.860 -0.492 -27.834 1.00 0.00 O ATOM 1102 CB MET A 77 22.075 -0.718 -24.737 1.00 0.00 C ATOM 1103 CG MET A 77 22.566 -0.854 -23.307 1.00 0.00 C ATOM 1104 SD MET A 77 21.694 -2.145 -22.400 1.00 0.00 S ATOM 1105 CE MET A 77 20.009 -1.556 -22.507 1.00 0.00 C ATOM 0 H MET A 77 22.060 1.743 -24.300 1.00 0.00 H new ATOM 0 HA MET A 77 23.921 -0.001 -25.545 1.00 0.00 H new ATOM 0 HB2 MET A 77 21.028 -0.416 -24.724 1.00 0.00 H new ATOM 0 HB3 MET A 77 22.120 -1.694 -25.221 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.633 -1.075 -23.312 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.440 0.098 -22.790 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.371 -2.159 -21.860 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.967 -0.514 -22.189 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.660 -1.636 -23.537 1.00 0.00 H new ATOM 1115 N ALA A 78 21.378 1.108 -27.284 1.00 0.00 N ATOM 1116 CA ALA A 78 20.803 1.214 -28.618 1.00 0.00 C ATOM 1117 C ALA A 78 21.851 1.646 -29.635 1.00 0.00 C ATOM 1118 O ALA A 78 21.872 1.147 -30.755 1.00 0.00 O ATOM 1119 CB ALA A 78 19.641 2.189 -28.617 1.00 0.00 C ATOM 0 H ALA A 78 20.958 1.734 -26.597 1.00 0.00 H new ATOM 0 HA ALA A 78 20.437 0.228 -28.905 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.222 2.257 -29.621 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.873 1.839 -27.927 1.00 0.00 H new ATOM 0 HB3 ALA A 78 19.991 3.172 -28.303 1.00 0.00 H new ATOM 1125 N GLU A 79 22.717 2.571 -29.234 1.00 0.00 N ATOM 1126 CA GLU A 79 23.817 3.023 -30.085 1.00 0.00 C ATOM 1127 C GLU A 79 24.700 1.845 -30.483 1.00 0.00 C ATOM 1128 O GLU A 79 25.085 1.696 -31.646 1.00 0.00 O ATOM 1129 CB GLU A 79 24.654 4.065 -29.345 1.00 0.00 C ATOM 1130 CG GLU A 79 23.866 5.294 -28.933 1.00 0.00 C ATOM 1131 CD GLU A 79 24.703 6.283 -28.151 1.00 0.00 C ATOM 1132 OE1 GLU A 79 25.523 6.994 -28.769 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.556 6.351 -26.914 1.00 0.00 O ATOM 0 H GLU A 79 22.680 3.025 -28.321 1.00 0.00 H new ATOM 0 HA GLU A 79 23.398 3.470 -30.986 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.087 3.606 -28.456 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.484 4.372 -29.982 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.469 5.782 -29.823 1.00 0.00 H new ATOM 0 HG3 GLU A 79 23.012 4.988 -28.329 1.00 0.00 H new ATOM 1140 N ILE A 80 25.005 1.018 -29.495 1.00 0.00 N ATOM 1141 CA ILE A 80 25.809 -0.183 -29.689 1.00 0.00 C ATOM 1142 C ILE A 80 25.061 -1.208 -30.532 1.00 0.00 C ATOM 1143 O ILE A 80 25.597 -1.745 -31.502 1.00 0.00 O ATOM 1144 CB ILE A 80 26.173 -0.811 -28.332 1.00 0.00 C ATOM 1145 CG1 ILE A 80 27.001 0.177 -27.504 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.922 -2.126 -28.529 1.00 0.00 C ATOM 1147 CD1 ILE A 80 27.243 -0.280 -26.086 1.00 0.00 C ATOM 0 H ILE A 80 24.702 1.160 -28.532 1.00 0.00 H new ATOM 0 HA ILE A 80 26.721 0.108 -30.211 1.00 0.00 H new ATOM 0 HB ILE A 80 25.255 -1.032 -27.788 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.961 0.335 -27.995 1.00 0.00 H new ATOM 0 HG13 ILE A 80 26.490 1.140 -27.485 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.170 -2.553 -27.557 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.293 -2.824 -29.082 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.839 -1.942 -29.089 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.835 0.468 -25.559 1.00 0.00 H new ATOM 0 HD12 ILE A 80 26.288 -0.411 -25.578 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.781 -1.228 -26.096 1.00 0.00 H new ATOM 1159 N ALA A 81 23.814 -1.459 -30.160 1.00 0.00 N ATOM 1160 CA ALA A 81 22.970 -2.414 -30.860 1.00 0.00 C ATOM 1161 C ALA A 81 22.761 -1.997 -32.314 1.00 0.00 C ATOM 1162 O ALA A 81 22.645 -2.842 -33.197 1.00 0.00 O ATOM 1163 CB ALA A 81 21.631 -2.539 -30.149 1.00 0.00 C ATOM 0 H ALA A 81 23.360 -1.007 -29.366 1.00 0.00 H new ATOM 0 HA ALA A 81 23.469 -3.383 -30.856 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.003 -3.256 -30.678 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.792 -2.883 -29.127 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.137 -1.568 -30.131 1.00 0.00 H new ATOM 1169 N ALA A 82 22.723 -0.689 -32.550 1.00 0.00 N ATOM 1170 CA ALA A 82 22.560 -0.149 -33.897 1.00 0.00 C ATOM 1171 C ALA A 82 23.785 -0.442 -34.753 1.00 0.00 C ATOM 1172 O ALA A 82 23.691 -0.568 -35.972 1.00 0.00 O ATOM 1173 CB ALA A 82 22.301 1.349 -33.846 1.00 0.00 C ATOM 0 H ALA A 82 22.803 0.021 -31.822 1.00 0.00 H new ATOM 0 HA ALA A 82 21.698 -0.637 -34.352 1.00 0.00 H new ATOM 0 HB1 ALA A 82 22.182 1.732 -34.859 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.392 1.542 -33.276 1.00 0.00 H new ATOM 0 HB3 ALA A 82 23.143 1.848 -33.366 1.00 0.00 H new ATOM 1241 N SER A 89 20.259 -9.563 -36.508 1.00 0.00 N ATOM 1242 CA SER A 89 19.349 -8.422 -36.567 1.00 0.00 C ATOM 1243 C SER A 89 18.885 -7.960 -35.179 1.00 0.00 C ATOM 1244 O SER A 89 18.866 -8.733 -34.214 1.00 0.00 O ATOM 1245 CB SER A 89 18.147 -8.766 -37.448 1.00 0.00 C ATOM 1246 OG SER A 89 18.570 -9.098 -38.761 1.00 0.00 O ATOM 0 HA SER A 89 19.899 -7.588 -37.003 1.00 0.00 H new ATOM 0 HB2 SER A 89 17.599 -9.602 -37.014 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.461 -7.919 -37.484 1.00 0.00 H new ATOM 0 HG SER A 89 19.438 -9.551 -38.720 1.00 0.00 H new ATOM 1252 N LEU A 90 18.514 -6.682 -35.107 1.00 0.00 N ATOM 1253 CA LEU A 90 18.069 -6.033 -33.871 1.00 0.00 C ATOM 1254 C LEU A 90 16.906 -6.780 -33.216 1.00 0.00 C ATOM 1255 O LEU A 90 16.707 -6.696 -31.998 1.00 0.00 O ATOM 1256 CB LEU A 90 17.660 -4.589 -34.188 1.00 0.00 C ATOM 1257 CG LEU A 90 17.244 -3.730 -32.990 1.00 0.00 C ATOM 1258 CD1 LEU A 90 18.411 -3.523 -32.039 1.00 0.00 C ATOM 1259 CD2 LEU A 90 16.703 -2.395 -33.468 1.00 0.00 C ATOM 0 H LEU A 90 18.514 -6.059 -35.915 1.00 0.00 H new ATOM 0 HA LEU A 90 18.895 -6.045 -33.160 1.00 0.00 H new ATOM 0 HB2 LEU A 90 18.494 -4.098 -34.690 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.832 -4.614 -34.897 1.00 0.00 H new ATOM 0 HG LEU A 90 16.457 -4.254 -32.447 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.090 -2.910 -31.197 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.758 -4.489 -31.673 1.00 0.00 H new ATOM 0 HD13 LEU A 90 19.224 -3.021 -32.564 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.410 -1.792 -32.608 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.474 -1.871 -34.033 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.836 -2.562 -34.107 1.00 0.00 H new ATOM 1271 N SER A 91 16.145 -7.503 -34.030 1.00 0.00 N ATOM 1272 CA SER A 91 15.027 -8.304 -33.551 1.00 0.00 C ATOM 1273 C SER A 91 15.477 -9.265 -32.452 1.00 0.00 C ATOM 1274 O SER A 91 14.778 -9.463 -31.458 1.00 0.00 O ATOM 1275 CB SER A 91 14.440 -9.089 -34.720 1.00 0.00 C ATOM 1276 OG SER A 91 14.471 -8.315 -35.908 1.00 0.00 O ATOM 0 H SER A 91 16.286 -7.550 -35.039 1.00 0.00 H new ATOM 0 HA SER A 91 14.270 -7.641 -33.131 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.004 -10.011 -34.865 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.413 -9.376 -34.493 1.00 0.00 H new ATOM 0 HG SER A 91 14.092 -8.835 -36.647 1.00 0.00 H new ATOM 1282 N THR A 92 16.658 -9.845 -32.629 1.00 0.00 N ATOM 1283 CA THR A 92 17.200 -10.782 -31.661 1.00 0.00 C ATOM 1284 C THR A 92 17.770 -10.043 -30.451 1.00 0.00 C ATOM 1285 O THR A 92 17.597 -10.472 -29.311 1.00 0.00 O ATOM 1286 CB THR A 92 18.300 -11.648 -32.303 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.838 -12.153 -33.564 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.679 -12.812 -31.398 1.00 0.00 C ATOM 0 H THR A 92 17.258 -9.680 -33.437 1.00 0.00 H new ATOM 0 HA THR A 92 16.387 -11.427 -31.329 1.00 0.00 H new ATOM 0 HB THR A 92 19.183 -11.026 -32.452 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.539 -12.703 -33.973 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.457 -13.406 -31.876 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.048 -12.428 -30.447 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.803 -13.436 -31.222 1.00 0.00 H new ATOM 1296 N LYS A 93 18.425 -8.912 -30.714 1.00 0.00 N ATOM 1297 CA LYS A 93 19.051 -8.117 -29.658 1.00 0.00 C ATOM 1298 C LYS A 93 18.049 -7.720 -28.588 1.00 0.00 C ATOM 1299 O LYS A 93 18.294 -7.902 -27.394 1.00 0.00 O ATOM 1300 CB LYS A 93 19.672 -6.843 -30.229 1.00 0.00 C ATOM 1301 CG LYS A 93 20.841 -7.077 -31.163 1.00 0.00 C ATOM 1302 CD LYS A 93 21.522 -5.764 -31.504 1.00 0.00 C ATOM 1303 CE LYS A 93 22.728 -5.973 -32.395 1.00 0.00 C ATOM 1304 NZ LYS A 93 22.344 -6.578 -33.689 1.00 0.00 N ATOM 0 H LYS A 93 18.536 -8.525 -31.651 1.00 0.00 H new ATOM 0 HA LYS A 93 19.825 -8.743 -29.214 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.902 -6.287 -30.764 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.004 -6.214 -29.403 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.557 -7.754 -30.696 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.493 -7.561 -32.076 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.812 -5.104 -32.002 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.830 -5.265 -30.585 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.223 -5.018 -32.571 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.448 -6.617 -31.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.828 -6.079 -34.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.619 -7.581 -33.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.315 -6.500 -33.817 1.00 0.00 H new ATOM 1318 N THR A 94 16.922 -7.181 -29.027 1.00 0.00 N ATOM 1319 CA THR A 94 15.908 -6.674 -28.119 1.00 0.00 C ATOM 1320 C THR A 94 15.383 -7.772 -27.196 1.00 0.00 C ATOM 1321 O THR A 94 15.090 -7.529 -26.024 1.00 0.00 O ATOM 1322 CB THR A 94 14.750 -6.039 -28.908 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.483 -6.807 -30.091 1.00 0.00 O ATOM 1324 CG2 THR A 94 15.084 -4.609 -29.299 1.00 0.00 C ATOM 0 H THR A 94 16.687 -7.084 -30.015 1.00 0.00 H new ATOM 0 HA THR A 94 16.373 -5.910 -27.496 1.00 0.00 H new ATOM 0 HB THR A 94 13.867 -6.031 -28.269 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.744 -6.397 -30.587 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.251 -4.180 -29.856 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.262 -4.018 -28.400 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.979 -4.602 -29.921 1.00 0.00 H new ATOM 1332 N SER A 95 15.288 -8.983 -27.724 1.00 0.00 N ATOM 1333 CA SER A 95 14.867 -10.125 -26.944 1.00 0.00 C ATOM 1334 C SER A 95 15.974 -10.561 -25.983 1.00 0.00 C ATOM 1335 O SER A 95 15.713 -10.866 -24.815 1.00 0.00 O ATOM 1336 CB SER A 95 14.513 -11.264 -27.891 1.00 0.00 C ATOM 1337 OG SER A 95 13.637 -10.820 -28.915 1.00 0.00 O ATOM 0 H SER A 95 15.500 -9.196 -28.699 1.00 0.00 H new ATOM 0 HA SER A 95 13.994 -9.854 -26.350 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.423 -11.668 -28.335 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.044 -12.074 -27.332 1.00 0.00 H new ATOM 0 HG SER A 95 14.159 -10.416 -29.640 1.00 0.00 H new ATOM 1343 N SER A 96 17.208 -10.566 -26.483 1.00 0.00 N ATOM 1344 CA SER A 96 18.367 -10.985 -25.706 1.00 0.00 C ATOM 1345 C SER A 96 18.583 -10.096 -24.481 1.00 0.00 C ATOM 1346 O SER A 96 18.768 -10.596 -23.368 1.00 0.00 O ATOM 1347 CB SER A 96 19.613 -10.962 -26.592 1.00 0.00 C ATOM 1348 OG SER A 96 19.522 -11.929 -27.627 1.00 0.00 O ATOM 0 H SER A 96 17.430 -10.280 -27.437 1.00 0.00 H new ATOM 0 HA SER A 96 18.183 -11.998 -25.349 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.736 -9.970 -27.027 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.498 -11.156 -25.986 1.00 0.00 H new ATOM 0 HG SER A 96 18.911 -11.608 -28.322 1.00 0.00 H new ATOM 1354 N ILE A 97 18.547 -8.784 -24.688 1.00 0.00 N ATOM 1355 CA ILE A 97 18.781 -7.834 -23.607 1.00 0.00 C ATOM 1356 C ILE A 97 17.757 -8.026 -22.491 1.00 0.00 C ATOM 1357 O ILE A 97 18.116 -8.130 -21.320 1.00 0.00 O ATOM 1358 CB ILE A 97 18.729 -6.372 -24.107 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.787 -6.139 -25.192 1.00 0.00 C ATOM 1360 CG2 ILE A 97 18.937 -5.403 -22.949 1.00 0.00 C ATOM 1361 CD1 ILE A 97 19.777 -4.732 -25.752 1.00 0.00 C ATOM 0 H ILE A 97 18.358 -8.355 -25.594 1.00 0.00 H new ATOM 0 HA ILE A 97 19.782 -8.029 -23.221 1.00 0.00 H new ATOM 0 HB ILE A 97 17.744 -6.191 -24.537 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.773 -6.350 -24.778 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.624 -6.847 -26.005 1.00 0.00 H new ATOM 0 HG21 ILE A 97 18.897 -4.379 -23.320 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.153 -5.550 -22.206 1.00 0.00 H new ATOM 0 HG23 ILE A 97 19.909 -5.586 -22.492 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.551 -4.638 -26.514 1.00 0.00 H new ATOM 0 HD12 ILE A 97 18.803 -4.524 -26.196 1.00 0.00 H new ATOM 0 HD13 ILE A 97 19.970 -4.020 -24.950 1.00 0.00 H new ATOM 1373 N ALA A 98 16.485 -8.114 -22.865 1.00 0.00 N ATOM 1374 CA ALA A 98 15.410 -8.254 -21.889 1.00 0.00 C ATOM 1375 C ALA A 98 15.505 -9.577 -21.133 1.00 0.00 C ATOM 1376 O ALA A 98 15.148 -9.653 -19.959 1.00 0.00 O ATOM 1377 CB ALA A 98 14.059 -8.133 -22.571 1.00 0.00 C ATOM 0 H ALA A 98 16.173 -8.091 -23.836 1.00 0.00 H new ATOM 0 HA ALA A 98 15.516 -7.448 -21.162 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.267 -8.240 -21.830 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.979 -7.157 -23.050 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.960 -8.915 -23.323 1.00 0.00 H new ATOM 1383 N SER A 99 15.999 -10.612 -21.807 1.00 0.00 N ATOM 1384 CA SER A 99 16.139 -11.922 -21.195 1.00 0.00 C ATOM 1385 C SER A 99 17.267 -11.895 -20.173 1.00 0.00 C ATOM 1386 O SER A 99 17.156 -12.456 -19.084 1.00 0.00 O ATOM 1387 CB SER A 99 16.408 -12.974 -22.276 1.00 0.00 C ATOM 1388 OG SER A 99 16.481 -14.281 -21.732 1.00 0.00 O ATOM 0 H SER A 99 16.308 -10.565 -22.778 1.00 0.00 H new ATOM 0 HA SER A 99 15.214 -12.185 -20.681 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.617 -12.936 -23.025 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.342 -12.740 -22.786 1.00 0.00 H new ATOM 0 HG SER A 99 16.652 -14.925 -22.450 1.00 0.00 H new ATOM 1394 N ALA A 100 18.345 -11.209 -20.524 1.00 0.00 N ATOM 1395 CA ALA A 100 19.479 -11.058 -19.628 1.00 0.00 C ATOM 1396 C ALA A 100 19.129 -10.135 -18.462 1.00 0.00 C ATOM 1397 O ALA A 100 19.576 -10.348 -17.338 1.00 0.00 O ATOM 1398 CB ALA A 100 20.683 -10.524 -20.388 1.00 0.00 C ATOM 0 H ALA A 100 18.457 -10.747 -21.427 1.00 0.00 H new ATOM 0 HA ALA A 100 19.730 -12.038 -19.222 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.526 -10.416 -19.705 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.948 -11.220 -21.184 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.439 -9.554 -20.820 1.00 0.00 H new ATOM 1404 N MET A 101 18.319 -9.114 -18.741 1.00 0.00 N ATOM 1405 CA MET A 101 17.923 -8.140 -17.730 1.00 0.00 C ATOM 1406 C MET A 101 17.025 -8.763 -16.665 1.00 0.00 C ATOM 1407 O MET A 101 17.240 -8.562 -15.469 1.00 0.00 O ATOM 1408 CB MET A 101 17.210 -6.965 -18.388 1.00 0.00 C ATOM 1409 CG MET A 101 18.153 -5.904 -18.929 1.00 0.00 C ATOM 1410 SD MET A 101 17.348 -4.789 -20.094 1.00 0.00 S ATOM 1411 CE MET A 101 15.742 -4.619 -19.335 1.00 0.00 C ATOM 0 H MET A 101 17.923 -8.941 -19.665 1.00 0.00 H new ATOM 0 HA MET A 101 18.829 -7.788 -17.237 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.591 -7.338 -19.204 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.539 -6.506 -17.662 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.558 -5.325 -18.099 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.996 -6.389 -19.420 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.235 -3.747 -19.749 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.149 -5.512 -19.533 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.860 -4.494 -18.259 1.00 0.00 H new ATOM 1421 N SER A 102 16.020 -9.514 -17.102 1.00 0.00 N ATOM 1422 CA SER A 102 15.101 -10.169 -16.180 1.00 0.00 C ATOM 1423 C SER A 102 15.849 -11.189 -15.328 1.00 0.00 C ATOM 1424 O SER A 102 15.659 -11.267 -14.115 1.00 0.00 O ATOM 1425 CB SER A 102 13.970 -10.844 -16.958 1.00 0.00 C ATOM 1426 OG SER A 102 14.485 -11.643 -18.007 1.00 0.00 O ATOM 0 H SER A 102 15.822 -9.684 -18.088 1.00 0.00 H new ATOM 0 HA SER A 102 14.668 -9.419 -15.518 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.377 -11.461 -16.283 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.302 -10.086 -17.367 1.00 0.00 H new ATOM 0 HG SER A 102 14.649 -11.083 -18.794 1.00 0.00 H new ATOM 1432 N ASN A 103 16.715 -11.948 -15.984 1.00 0.00 N ATOM 1433 CA ASN A 103 17.557 -12.934 -15.320 1.00 0.00 C ATOM 1434 C ASN A 103 18.485 -12.267 -14.303 1.00 0.00 C ATOM 1435 O ASN A 103 18.717 -12.800 -13.222 1.00 0.00 O ATOM 1436 CB ASN A 103 18.371 -13.689 -16.374 1.00 0.00 C ATOM 1437 CG ASN A 103 19.358 -14.677 -15.785 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.122 -15.267 -14.733 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.475 -14.861 -16.471 1.00 0.00 N ATOM 0 H ASN A 103 16.854 -11.898 -16.993 1.00 0.00 H new ATOM 0 HA ASN A 103 16.923 -13.635 -14.777 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.688 -14.221 -17.036 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.913 -12.969 -16.987 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.181 -15.514 -16.131 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.630 -14.350 -17.340 1.00 0.00 H new ATOM 1446 N ALA A 104 18.995 -11.092 -14.646 1.00 0.00 N ATOM 1447 CA ALA A 104 19.906 -10.368 -13.765 1.00 0.00 C ATOM 1448 C ALA A 104 19.205 -9.899 -12.493 1.00 0.00 C ATOM 1449 O ALA A 104 19.757 -9.992 -11.394 1.00 0.00 O ATOM 1450 CB ALA A 104 20.514 -9.188 -14.499 1.00 0.00 C ATOM 0 H ALA A 104 18.795 -10.619 -15.527 1.00 0.00 H new ATOM 0 HA ALA A 104 20.700 -11.053 -13.469 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.192 -8.655 -13.832 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.066 -9.545 -15.368 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.721 -8.514 -14.825 1.00 0.00 H new ATOM 1456 N PHE A 105 17.986 -9.398 -12.640 1.00 0.00 N ATOM 1457 CA PHE A 105 17.210 -8.947 -11.491 1.00 0.00 C ATOM 1458 C PHE A 105 16.812 -10.153 -10.643 1.00 0.00 C ATOM 1459 O PHE A 105 16.704 -10.070 -9.417 1.00 0.00 O ATOM 1460 CB PHE A 105 15.970 -8.179 -11.960 1.00 0.00 C ATOM 1461 CG PHE A 105 15.417 -7.221 -10.937 1.00 0.00 C ATOM 1462 CD1 PHE A 105 16.134 -6.092 -10.570 1.00 0.00 C ATOM 1463 CD2 PHE A 105 14.185 -7.446 -10.344 1.00 0.00 C ATOM 1464 CE1 PHE A 105 15.632 -5.207 -9.634 1.00 0.00 C ATOM 1465 CE2 PHE A 105 13.677 -6.564 -9.409 1.00 0.00 C ATOM 1466 CZ PHE A 105 14.402 -5.444 -9.051 1.00 0.00 C ATOM 0 H PHE A 105 17.514 -9.294 -13.538 1.00 0.00 H new ATOM 0 HA PHE A 105 17.816 -8.274 -10.884 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.220 -7.624 -12.864 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.193 -8.894 -12.230 1.00 0.00 H new ATOM 0 HD1 PHE A 105 17.097 -5.902 -11.021 1.00 0.00 H new ATOM 0 HD2 PHE A 105 13.614 -8.322 -10.616 1.00 0.00 H new ATOM 0 HE1 PHE A 105 16.201 -4.331 -9.359 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.713 -6.750 -8.958 1.00 0.00 H new ATOM 0 HZ PHE A 105 14.009 -4.756 -8.318 1.00 0.00 H new ATOM 1476 N LEU A 106 16.617 -11.280 -11.320 1.00 0.00 N ATOM 1477 CA LEU A 106 16.310 -12.546 -10.690 1.00 0.00 C ATOM 1478 C LEU A 106 17.429 -12.996 -9.749 1.00 0.00 C ATOM 1479 O LEU A 106 17.180 -13.693 -8.768 1.00 0.00 O ATOM 1480 CB LEU A 106 16.117 -13.562 -11.805 1.00 0.00 C ATOM 1481 CG LEU A 106 15.258 -14.770 -11.488 1.00 0.00 C ATOM 1482 CD1 LEU A 106 13.926 -14.338 -10.898 1.00 0.00 C ATOM 1483 CD2 LEU A 106 15.047 -15.554 -12.764 1.00 0.00 C ATOM 0 H LEU A 106 16.670 -11.333 -12.337 1.00 0.00 H new ATOM 0 HA LEU A 106 15.411 -12.450 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.678 -13.048 -12.660 1.00 0.00 H new ATOM 0 HB3 LEU A 106 17.100 -13.916 -12.116 1.00 0.00 H new ATOM 0 HG LEU A 106 15.758 -15.396 -10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.323 -15.219 -10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.100 -13.777 -9.980 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.398 -13.708 -11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.430 -16.428 -12.556 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.547 -14.924 -13.500 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.011 -15.875 -13.157 1.00 0.00 H new ATOM 1495 N GLN A 107 18.655 -12.583 -10.042 1.00 0.00 N ATOM 1496 CA GLN A 107 19.809 -13.010 -9.256 1.00 0.00 C ATOM 1497 C GLN A 107 20.051 -12.082 -8.077 1.00 0.00 C ATOM 1498 O GLN A 107 20.575 -12.499 -7.042 1.00 0.00 O ATOM 1499 CB GLN A 107 21.063 -13.063 -10.133 1.00 0.00 C ATOM 1500 CG GLN A 107 20.863 -13.866 -11.399 1.00 0.00 C ATOM 1501 CD GLN A 107 20.326 -15.250 -11.123 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.669 -15.876 -10.118 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.439 -15.713 -11.983 1.00 0.00 N ATOM 0 H GLN A 107 18.877 -11.955 -10.815 1.00 0.00 H new ATOM 0 HA GLN A 107 19.593 -14.007 -8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.359 -12.048 -10.396 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.883 -13.496 -9.560 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.174 -13.336 -12.057 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.812 -13.946 -11.929 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.185 -15.160 -12.802 1.00 0.00 H new ATOM 0 HE22 GLN A 107 19.007 -16.624 -11.829 1.00 0.00 H new ATOM 1512 N THR A 108 19.661 -10.828 -8.229 1.00 0.00 N ATOM 1513 CA THR A 108 19.927 -9.827 -7.220 1.00 0.00 C ATOM 1514 C THR A 108 18.812 -9.772 -6.186 1.00 0.00 C ATOM 1515 O THR A 108 19.062 -9.572 -4.996 1.00 0.00 O ATOM 1516 CB THR A 108 20.100 -8.448 -7.877 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.146 -8.297 -8.939 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.507 -8.282 -8.429 1.00 0.00 C ATOM 0 H THR A 108 19.158 -10.482 -9.046 1.00 0.00 H new ATOM 0 HA THR A 108 20.849 -10.103 -6.709 1.00 0.00 H new ATOM 0 HB THR A 108 19.934 -7.682 -7.119 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.257 -7.417 -9.356 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.604 -7.298 -8.889 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.229 -8.376 -7.618 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.698 -9.052 -9.176 1.00 0.00 H new ATOM 1526 N THR A 109 17.586 -9.962 -6.641 1.00 0.00 N ATOM 1527 CA THR A 109 16.434 -9.854 -5.764 1.00 0.00 C ATOM 1528 C THR A 109 15.691 -11.183 -5.661 1.00 0.00 C ATOM 1529 O THR A 109 15.186 -11.548 -4.597 1.00 0.00 O ATOM 1530 CB THR A 109 15.472 -8.766 -6.278 1.00 0.00 C ATOM 1531 OG1 THR A 109 14.892 -9.166 -7.527 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.213 -7.452 -6.472 1.00 0.00 C ATOM 0 H THR A 109 17.363 -10.191 -7.610 1.00 0.00 H new ATOM 0 HA THR A 109 16.796 -9.582 -4.773 1.00 0.00 H new ATOM 0 HB THR A 109 14.684 -8.631 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.601 -9.454 -8.140 1.00 0.00 H new ATOM 0 HG21 THR A 109 15.520 -6.694 -6.835 1.00 0.00 H new ATOM 0 HG22 THR A 109 16.637 -7.130 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 109 17.014 -7.590 -7.199 1.00 0.00 H new ATOM 1540 N GLY A 110 15.639 -11.906 -6.770 1.00 0.00 N ATOM 1541 CA GLY A 110 14.873 -13.134 -6.822 1.00 0.00 C ATOM 1542 C GLY A 110 13.530 -12.915 -7.485 1.00 0.00 C ATOM 1543 O GLY A 110 12.758 -13.853 -7.683 1.00 0.00 O ATOM 0 H GLY A 110 16.116 -11.663 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.433 -13.892 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 110 14.725 -13.516 -5.812 1.00 0.00 H new ATOM 1547 N VAL A 111 13.260 -11.663 -7.825 1.00 0.00 N ATOM 1548 CA VAL A 111 12.015 -11.276 -8.467 1.00 0.00 C ATOM 1549 C VAL A 111 12.316 -10.705 -9.848 1.00 0.00 C ATOM 1550 O VAL A 111 13.440 -10.282 -10.114 1.00 0.00 O ATOM 1551 CB VAL A 111 11.259 -10.219 -7.619 1.00 0.00 C ATOM 1552 CG1 VAL A 111 9.868 -9.945 -8.170 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.173 -10.660 -6.163 1.00 0.00 C ATOM 0 H VAL A 111 13.901 -10.886 -7.662 1.00 0.00 H new ATOM 0 HA VAL A 111 11.381 -12.158 -8.559 1.00 0.00 H new ATOM 0 HB VAL A 111 11.827 -9.290 -7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.371 -9.200 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.948 -9.572 -9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.287 -10.867 -8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.639 -9.905 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.640 -11.609 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.178 -10.782 -5.760 1.00 0.00 H new ATOM 1563 N VAL A 112 11.331 -10.717 -10.729 1.00 0.00 N ATOM 1564 CA VAL A 112 11.497 -10.142 -12.052 1.00 0.00 C ATOM 1565 C VAL A 112 10.806 -8.782 -12.137 1.00 0.00 C ATOM 1566 O VAL A 112 9.611 -8.663 -11.856 1.00 0.00 O ATOM 1567 CB VAL A 112 10.945 -11.070 -13.157 1.00 0.00 C ATOM 1568 CG1 VAL A 112 11.130 -10.444 -14.532 1.00 0.00 C ATOM 1569 CG2 VAL A 112 11.617 -12.432 -13.095 1.00 0.00 C ATOM 0 H VAL A 112 10.410 -11.118 -10.553 1.00 0.00 H new ATOM 0 HA VAL A 112 12.568 -10.019 -12.215 1.00 0.00 H new ATOM 0 HB VAL A 112 9.877 -11.204 -12.986 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.734 -11.116 -15.294 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.598 -9.494 -14.574 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.191 -10.274 -14.715 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.215 -13.072 -13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.691 -12.314 -13.236 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.427 -12.888 -12.123 1.00 0.00 H new ATOM 1579 N ASN A 113 11.563 -7.759 -12.509 1.00 0.00 N ATOM 1580 CA ASN A 113 11.014 -6.416 -12.657 1.00 0.00 C ATOM 1581 C ASN A 113 10.385 -6.254 -14.033 1.00 0.00 C ATOM 1582 O ASN A 113 11.052 -6.409 -15.049 1.00 0.00 O ATOM 1583 CB ASN A 113 12.096 -5.355 -12.454 1.00 0.00 C ATOM 1584 CG ASN A 113 11.571 -3.949 -12.668 1.00 0.00 C ATOM 1585 OD1 ASN A 113 11.592 -3.431 -13.782 1.00 0.00 O ATOM 1586 ND2 ASN A 113 11.085 -3.322 -11.607 1.00 0.00 N ATOM 0 H ASN A 113 12.559 -7.832 -12.714 1.00 0.00 H new ATOM 0 HA ASN A 113 10.249 -6.279 -11.893 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.500 -5.440 -11.445 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.919 -5.542 -13.144 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.712 -2.377 -11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.084 -3.784 -10.698 1.00 0.00 H new ATOM 1593 N GLN A 114 9.098 -5.956 -14.056 1.00 0.00 N ATOM 1594 CA GLN A 114 8.376 -5.805 -15.312 1.00 0.00 C ATOM 1595 C GLN A 114 8.479 -4.381 -15.891 1.00 0.00 C ATOM 1596 O GLN A 114 8.871 -4.227 -17.050 1.00 0.00 O ATOM 1597 CB GLN A 114 6.905 -6.192 -15.125 1.00 0.00 C ATOM 1598 CG GLN A 114 6.117 -6.255 -16.423 1.00 0.00 C ATOM 1599 CD GLN A 114 6.629 -7.333 -17.358 1.00 0.00 C ATOM 1600 OE1 GLN A 114 7.551 -6.972 -18.233 1.00 0.00 O flip ATOM 1601 NE2 GLN A 114 6.186 -8.479 -17.303 1.00 0.00 N flip ATOM 0 H GLN A 114 8.530 -5.813 -13.221 1.00 0.00 H new ATOM 0 HA GLN A 114 8.846 -6.476 -16.031 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.854 -7.163 -14.633 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.431 -5.472 -14.458 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.067 -6.441 -16.199 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.169 -5.288 -16.924 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.474 -8.718 -16.613 1.00 0.00 H new ATOM 0 HE22 GLN A 114 6.530 -9.190 -17.948 1.00 0.00 H new ATOM 1610 N PRO A 115 8.133 -3.320 -15.111 1.00 0.00 N ATOM 1611 CA PRO A 115 8.007 -1.947 -15.636 1.00 0.00 C ATOM 1612 C PRO A 115 9.226 -1.451 -16.416 1.00 0.00 C ATOM 1613 O PRO A 115 9.086 -0.938 -17.525 1.00 0.00 O ATOM 1614 CB PRO A 115 7.798 -1.083 -14.381 1.00 0.00 C ATOM 1615 CG PRO A 115 8.155 -1.960 -13.232 1.00 0.00 C ATOM 1616 CD PRO A 115 7.836 -3.356 -13.669 1.00 0.00 C ATOM 0 HA PRO A 115 7.192 -1.898 -16.359 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.428 -0.194 -14.407 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.766 -0.740 -14.308 1.00 0.00 H new ATOM 0 HG2 PRO A 115 9.210 -1.861 -12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 115 7.587 -1.689 -12.342 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.447 -4.093 -13.148 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.794 -3.612 -13.476 1.00 0.00 H new ATOM 1624 N PHE A 116 10.418 -1.616 -15.857 1.00 0.00 N ATOM 1625 CA PHE A 116 11.615 -1.047 -16.463 1.00 0.00 C ATOM 1626 C PHE A 116 11.976 -1.799 -17.735 1.00 0.00 C ATOM 1627 O PHE A 116 12.447 -1.207 -18.707 1.00 0.00 O ATOM 1628 CB PHE A 116 12.786 -1.064 -15.475 1.00 0.00 C ATOM 1629 CG PHE A 116 12.620 -0.106 -14.323 1.00 0.00 C ATOM 1630 CD1 PHE A 116 11.806 -0.424 -13.248 1.00 0.00 C ATOM 1631 CD2 PHE A 116 13.279 1.112 -14.317 1.00 0.00 C ATOM 1632 CE1 PHE A 116 11.652 0.454 -12.193 1.00 0.00 C ATOM 1633 CE2 PHE A 116 13.128 1.994 -13.265 1.00 0.00 C ATOM 1634 CZ PHE A 116 12.315 1.663 -12.201 1.00 0.00 C ATOM 0 H PHE A 116 10.581 -2.134 -14.994 1.00 0.00 H new ATOM 0 HA PHE A 116 11.406 -0.009 -16.723 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.904 -2.074 -15.082 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.704 -0.820 -16.009 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.285 -1.370 -13.235 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.919 1.376 -15.146 1.00 0.00 H new ATOM 0 HE1 PHE A 116 11.013 0.194 -11.362 1.00 0.00 H new ATOM 0 HE2 PHE A 116 13.646 2.942 -13.275 1.00 0.00 H new ATOM 0 HZ PHE A 116 12.198 2.350 -11.376 1.00 0.00 H new ATOM 1644 N ILE A 117 11.723 -3.101 -17.741 1.00 0.00 N ATOM 1645 CA ILE A 117 12.005 -3.915 -18.912 1.00 0.00 C ATOM 1646 C ILE A 117 11.089 -3.525 -20.069 1.00 0.00 C ATOM 1647 O ILE A 117 11.484 -3.579 -21.235 1.00 0.00 O ATOM 1648 CB ILE A 117 11.876 -5.430 -18.613 1.00 0.00 C ATOM 1649 CG1 ILE A 117 12.907 -5.840 -17.557 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.053 -6.255 -19.881 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.004 -7.336 -17.332 1.00 0.00 C ATOM 0 H ILE A 117 11.326 -3.612 -16.953 1.00 0.00 H new ATOM 0 HA ILE A 117 13.040 -3.724 -19.196 1.00 0.00 H new ATOM 0 HB ILE A 117 10.875 -5.623 -18.227 1.00 0.00 H new ATOM 0 HG12 ILE A 117 13.886 -5.465 -17.856 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.655 -5.357 -16.613 1.00 0.00 H new ATOM 0 HG21 ILE A 117 11.958 -7.314 -19.642 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.288 -5.976 -20.606 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.040 -6.066 -20.303 1.00 0.00 H new ATOM 0 HD11 ILE A 117 13.756 -7.541 -16.570 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.038 -7.718 -17.001 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.288 -7.826 -18.263 1.00 0.00 H new ATOM 1663 N ASN A 118 9.877 -3.096 -19.736 1.00 0.00 N ATOM 1664 CA ASN A 118 8.915 -2.650 -20.742 1.00 0.00 C ATOM 1665 C ASN A 118 9.429 -1.412 -21.463 1.00 0.00 C ATOM 1666 O ASN A 118 9.150 -1.204 -22.643 1.00 0.00 O ATOM 1667 CB ASN A 118 7.564 -2.312 -20.104 1.00 0.00 C ATOM 1668 CG ASN A 118 6.857 -3.510 -19.508 1.00 0.00 C ATOM 1669 OD1 ASN A 118 6.044 -3.260 -18.494 1.00 0.00 O flip ATOM 1670 ND2 ASN A 118 7.030 -4.644 -19.956 1.00 0.00 N flip ATOM 0 H ASN A 118 9.535 -3.047 -18.776 1.00 0.00 H new ATOM 0 HA ASN A 118 8.787 -3.468 -21.451 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.717 -1.566 -19.324 1.00 0.00 H new ATOM 0 HB3 ASN A 118 6.920 -1.858 -20.857 1.00 0.00 H new ATOM 0 HD21 ASN A 118 7.666 -4.791 -20.739 1.00 0.00 H new ATOM 0 HD22 ASN A 118 6.537 -5.436 -19.544 1.00 0.00 H new ATOM 1677 N GLU A 119 10.185 -0.597 -20.742 1.00 0.00 N ATOM 1678 CA GLU A 119 10.652 0.673 -21.270 1.00 0.00 C ATOM 1679 C GLU A 119 11.952 0.508 -22.049 1.00 0.00 C ATOM 1680 O GLU A 119 12.047 0.956 -23.192 1.00 0.00 O ATOM 1681 CB GLU A 119 10.825 1.686 -20.139 1.00 0.00 C ATOM 1682 CG GLU A 119 9.553 1.896 -19.338 1.00 0.00 C ATOM 1683 CD GLU A 119 9.637 3.057 -18.374 1.00 0.00 C ATOM 1684 OE1 GLU A 119 9.317 4.191 -18.784 1.00 0.00 O ATOM 1685 OE2 GLU A 119 9.996 2.846 -17.199 1.00 0.00 O ATOM 0 H GLU A 119 10.488 -0.795 -19.788 1.00 0.00 H new ATOM 0 HA GLU A 119 9.898 1.047 -21.963 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.617 1.347 -19.472 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.147 2.640 -20.558 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.723 2.063 -20.025 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.328 0.986 -18.781 1.00 0.00 H new ATOM 1692 N ILE A 120 12.944 -0.142 -21.439 1.00 0.00 N ATOM 1693 CA ILE A 120 14.236 -0.344 -22.095 1.00 0.00 C ATOM 1694 C ILE A 120 14.064 -0.984 -23.472 1.00 0.00 C ATOM 1695 O ILE A 120 14.592 -0.477 -24.454 1.00 0.00 O ATOM 1696 CB ILE A 120 15.218 -1.191 -21.233 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.956 -0.316 -20.210 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.239 -1.911 -22.107 1.00 0.00 C ATOM 1699 CD1 ILE A 120 15.076 0.303 -19.152 1.00 0.00 C ATOM 0 H ILE A 120 12.879 -0.535 -20.500 1.00 0.00 H new ATOM 0 HA ILE A 120 14.674 0.647 -22.216 1.00 0.00 H new ATOM 0 HB ILE A 120 14.619 -1.931 -20.702 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.719 -0.921 -19.719 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.475 0.481 -20.742 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.911 -2.494 -21.477 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.722 -2.576 -22.798 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.816 -1.178 -22.672 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.686 0.902 -18.476 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.329 0.939 -19.627 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.577 -0.485 -18.588 1.00 0.00 H new ATOM 1711 N THR A 121 13.290 -2.063 -23.547 1.00 0.00 N ATOM 1712 CA THR A 121 13.122 -2.806 -24.797 1.00 0.00 C ATOM 1713 C THR A 121 12.649 -1.912 -25.944 1.00 0.00 C ATOM 1714 O THR A 121 13.272 -1.871 -27.009 1.00 0.00 O ATOM 1715 CB THR A 121 12.128 -3.963 -24.618 1.00 0.00 C ATOM 1716 OG1 THR A 121 10.973 -3.504 -23.902 1.00 0.00 O ATOM 1717 CG2 THR A 121 12.771 -5.120 -23.869 1.00 0.00 C ATOM 0 H THR A 121 12.768 -2.444 -22.758 1.00 0.00 H new ATOM 0 HA THR A 121 14.105 -3.202 -25.054 1.00 0.00 H new ATOM 0 HB THR A 121 11.829 -4.316 -25.605 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.110 -3.635 -22.941 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.047 -5.927 -23.755 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.633 -5.482 -24.430 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.095 -4.781 -22.885 1.00 0.00 H new ATOM 1725 N GLN A 122 11.561 -1.187 -25.714 1.00 0.00 N ATOM 1726 CA GLN A 122 10.988 -0.320 -26.735 1.00 0.00 C ATOM 1727 C GLN A 122 11.947 0.814 -27.089 1.00 0.00 C ATOM 1728 O GLN A 122 12.102 1.165 -28.258 1.00 0.00 O ATOM 1729 CB GLN A 122 9.648 0.250 -26.261 1.00 0.00 C ATOM 1730 CG GLN A 122 8.634 -0.815 -25.873 1.00 0.00 C ATOM 1731 CD GLN A 122 8.348 -1.795 -26.996 1.00 0.00 C ATOM 1732 OE1 GLN A 122 8.416 -1.447 -28.175 1.00 0.00 O ATOM 1733 NE2 GLN A 122 8.028 -3.029 -26.638 1.00 0.00 N ATOM 0 H GLN A 122 11.057 -1.183 -24.827 1.00 0.00 H new ATOM 0 HA GLN A 122 10.820 -0.918 -27.631 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.823 0.902 -25.405 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.226 0.870 -27.052 1.00 0.00 H new ATOM 0 HG2 GLN A 122 9.003 -1.362 -25.005 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.704 -0.332 -25.573 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.982 -3.278 -25.650 1.00 0.00 H new ATOM 0 HE22 GLN A 122 7.827 -3.731 -27.350 1.00 0.00 H new ATOM 1742 N LEU A 123 12.603 1.365 -26.075 1.00 0.00 N ATOM 1743 CA LEU A 123 13.529 2.473 -26.272 1.00 0.00 C ATOM 1744 C LEU A 123 14.787 2.028 -27.009 1.00 0.00 C ATOM 1745 O LEU A 123 15.278 2.751 -27.874 1.00 0.00 O ATOM 1746 CB LEU A 123 13.890 3.123 -24.932 1.00 0.00 C ATOM 1747 CG LEU A 123 12.961 4.258 -24.476 1.00 0.00 C ATOM 1748 CD1 LEU A 123 11.517 3.793 -24.373 1.00 0.00 C ATOM 1749 CD2 LEU A 123 13.430 4.814 -23.143 1.00 0.00 C ATOM 0 H LEU A 123 12.510 1.062 -25.106 1.00 0.00 H new ATOM 0 HA LEU A 123 13.027 3.215 -26.893 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.895 2.350 -24.163 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.906 3.513 -24.999 1.00 0.00 H new ATOM 0 HG LEU A 123 13.003 5.045 -25.229 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.890 4.623 -24.048 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.178 3.442 -25.347 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.447 2.980 -23.650 1.00 0.00 H new ATOM 0 HD21 LEU A 123 12.764 5.618 -22.830 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.420 4.022 -22.394 1.00 0.00 H new ATOM 0 HD23 LEU A 123 14.443 5.202 -23.247 1.00 0.00 H new ATOM 1761 N VAL A 124 15.303 0.845 -26.681 1.00 0.00 N ATOM 1762 CA VAL A 124 16.472 0.308 -27.375 1.00 0.00 C ATOM 1763 C VAL A 124 16.198 0.220 -28.865 1.00 0.00 C ATOM 1764 O VAL A 124 16.952 0.747 -29.677 1.00 0.00 O ATOM 1765 CB VAL A 124 16.875 -1.098 -26.866 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.978 -1.694 -27.731 1.00 0.00 C ATOM 1767 CG2 VAL A 124 17.332 -1.039 -25.419 1.00 0.00 C ATOM 0 H VAL A 124 14.933 0.244 -25.945 1.00 0.00 H new ATOM 0 HA VAL A 124 17.295 0.992 -27.171 1.00 0.00 H new ATOM 0 HB VAL A 124 15.995 -1.737 -26.931 1.00 0.00 H new ATOM 0 HG11 VAL A 124 18.243 -2.681 -27.353 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.627 -1.781 -28.759 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.854 -1.046 -27.701 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.610 -2.038 -25.084 1.00 0.00 H new ATOM 0 HG22 VAL A 124 18.193 -0.376 -25.336 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.521 -0.660 -24.797 1.00 0.00 H new ATOM 1777 N SER A 125 15.097 -0.428 -29.208 1.00 0.00 N ATOM 1778 CA SER A 125 14.734 -0.623 -30.597 1.00 0.00 C ATOM 1779 C SER A 125 14.508 0.721 -31.291 1.00 0.00 C ATOM 1780 O SER A 125 15.025 0.962 -32.384 1.00 0.00 O ATOM 1781 CB SER A 125 13.481 -1.493 -30.680 1.00 0.00 C ATOM 1782 OG SER A 125 13.306 -2.018 -31.986 1.00 0.00 O ATOM 0 H SER A 125 14.439 -0.828 -28.539 1.00 0.00 H new ATOM 0 HA SER A 125 15.552 -1.129 -31.111 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.555 -2.311 -29.963 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.607 -0.904 -30.402 1.00 0.00 H new ATOM 0 HG SER A 125 12.498 -2.572 -32.010 1.00 0.00 H new ATOM 1788 N MET A 126 13.761 1.601 -30.633 1.00 0.00 N ATOM 1789 CA MET A 126 13.444 2.914 -31.184 1.00 0.00 C ATOM 1790 C MET A 126 14.703 3.745 -31.416 1.00 0.00 C ATOM 1791 O MET A 126 14.946 4.221 -32.524 1.00 0.00 O ATOM 1792 CB MET A 126 12.493 3.655 -30.242 1.00 0.00 C ATOM 1793 CG MET A 126 12.130 5.052 -30.715 1.00 0.00 C ATOM 1794 SD MET A 126 11.033 5.915 -29.572 1.00 0.00 S ATOM 1795 CE MET A 126 12.068 5.996 -28.119 1.00 0.00 C ATOM 0 H MET A 126 13.361 1.427 -29.711 1.00 0.00 H new ATOM 0 HA MET A 126 12.961 2.766 -32.150 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.580 3.071 -30.129 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.952 3.723 -29.256 1.00 0.00 H new ATOM 0 HG2 MET A 126 13.042 5.635 -30.846 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.651 4.987 -31.692 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.870 6.924 -27.582 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.851 5.148 -27.470 1.00 0.00 H new ATOM 0 HE3 MET A 126 13.116 5.966 -28.417 1.00 0.00 H new ATOM 1805 N PHE A 127 15.505 3.905 -30.373 1.00 0.00 N ATOM 1806 CA PHE A 127 16.692 4.745 -30.446 1.00 0.00 C ATOM 1807 C PHE A 127 17.741 4.155 -31.392 1.00 0.00 C ATOM 1808 O PHE A 127 18.497 4.894 -32.020 1.00 0.00 O ATOM 1809 CB PHE A 127 17.286 4.959 -29.049 1.00 0.00 C ATOM 1810 CG PHE A 127 16.537 5.965 -28.212 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.438 7.286 -28.620 1.00 0.00 C ATOM 1812 CD2 PHE A 127 15.949 5.593 -27.014 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.764 8.216 -27.849 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.272 6.518 -26.239 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.179 7.831 -26.659 1.00 0.00 C ATOM 0 H PHE A 127 15.355 3.464 -29.466 1.00 0.00 H new ATOM 0 HA PHE A 127 16.390 5.711 -30.849 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.303 4.005 -28.523 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.321 5.285 -29.151 1.00 0.00 H new ATOM 0 HD1 PHE A 127 16.892 7.593 -29.551 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.020 4.568 -26.681 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.695 9.243 -28.178 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.817 6.214 -25.308 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.650 8.555 -26.057 1.00 0.00 H new ATOM 1825 N ALA A 128 17.780 2.832 -31.500 1.00 0.00 N ATOM 1826 CA ALA A 128 18.728 2.176 -32.394 1.00 0.00 C ATOM 1827 C ALA A 128 18.415 2.502 -33.847 1.00 0.00 C ATOM 1828 O ALA A 128 19.275 2.989 -34.585 1.00 0.00 O ATOM 1829 CB ALA A 128 18.721 0.670 -32.181 1.00 0.00 C ATOM 0 H ALA A 128 17.172 2.196 -30.984 1.00 0.00 H new ATOM 0 HA ALA A 128 19.723 2.554 -32.160 1.00 0.00 H new ATOM 0 HB1 ALA A 128 19.436 0.203 -32.859 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.999 0.447 -31.151 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.723 0.279 -32.380 1.00 0.00 H new ATOM 1835 N GLN A 129 17.175 2.245 -34.251 1.00 0.00 N ATOM 1836 CA GLN A 129 16.751 2.498 -35.622 1.00 0.00 C ATOM 1837 C GLN A 129 16.780 3.987 -35.935 1.00 0.00 C ATOM 1838 O GLN A 129 17.088 4.385 -37.057 1.00 0.00 O ATOM 1839 CB GLN A 129 15.351 1.938 -35.846 1.00 0.00 C ATOM 1840 CG GLN A 129 15.242 0.473 -35.474 1.00 0.00 C ATOM 1841 CD GLN A 129 13.856 -0.087 -35.688 1.00 0.00 C ATOM 1842 OE1 GLN A 129 12.857 0.629 -35.609 1.00 0.00 O ATOM 1843 NE2 GLN A 129 13.790 -1.378 -35.959 1.00 0.00 N ATOM 0 H GLN A 129 16.447 1.862 -33.648 1.00 0.00 H new ATOM 0 HA GLN A 129 17.447 1.997 -36.295 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.636 2.512 -35.258 1.00 0.00 H new ATOM 0 HB3 GLN A 129 15.077 2.064 -36.893 1.00 0.00 H new ATOM 0 HG2 GLN A 129 15.955 -0.101 -36.066 1.00 0.00 H new ATOM 0 HG3 GLN A 129 15.521 0.347 -34.428 1.00 0.00 H new ATOM 0 HE21 GLN A 129 14.645 -1.932 -36.014 1.00 0.00 H new ATOM 0 HE22 GLN A 129 12.884 -1.821 -36.113 1.00 0.00 H new