USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 753 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 97 THR OG1 : rot 78:sc= -1.78! USER MOD Set 1.2: A 101 TYR OH : rot 38:sc=-0.00531 USER MOD Set 1.3: A 108 ASN : amide:sc= -6.3! C(o=-8.1!,f=-15!) USER MOD Set 2.1: A 36 GLN : amide:sc= -8.59! C(o=-12!,f=-14!) USER MOD Set 2.2: A 81 GLN : amide:sc= -3.11! C(o=-12!,f=-15!) USER MOD Set 3.1: A 27 SER OG : rot -34:sc= 0.296 USER MOD Set 3.2: A 28 ASN : amide:sc= 0 K(o=0.3,f=-1.5!) USER MOD Set 4.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 98 SER OG : rot 130:sc= -0.0755 USER MOD Set 5.1: A 20 ASN : amide:sc= -0.519 K(o=-5.3,f=-4.6) USER MOD Set 5.2: A 45 ASN : amide:sc=-0.00776 K(o=-5.3,f=-7.2!) USER MOD Set 5.3: A 48 MET CE :methyl -124:sc= -4.82! (180deg=-7.26!) USER MOD Single : A 6 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.3!) USER MOD Single : A 7 THR OG1 : rot -149:sc= -6.76! USER MOD Single : A 10 SER OG : rot -177:sc= -1.42! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -130:sc= -2! (180deg=-4.82!) USER MOD Single : A 14 ASN : amide:sc= -2.7! C(o=-2.7!,f=-5.7!) USER MOD Single : A 24 SER OG : rot 85:sc= 0.0356 USER MOD Single : A 29 THR OG1 : rot 79:sc= 0.648 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 37 MET CE :methyl -133:sc= -3.13! (180deg=-6.09!) USER MOD Single : A 39 ASN : amide:sc= -2.67! K(o=-2.7!,f=-1.4) USER MOD Single : A 40 MET CE :methyl 152:sc= -0.171 (180deg=-1.11) USER MOD Single : A 41 SER OG : rot -106:sc= -4.14! USER MOD Single : A 46 THR OG1 : rot -97:sc= -1.71! USER MOD Single : A 51 MET CE :methyl -130:sc= -3.03 (180deg=-5.91!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 68 MET CE :methyl -125:sc= -1.44 (180deg=-2.7!) USER MOD Single : A 72 SER OG : rot -40:sc= 1.11 USER MOD Single : A 73 SER OG : rot -24:sc= -2.74 USER MOD Single : A 76 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.6!) USER MOD Single : A 80 SER OG : rot -45:sc= 0.691 USER MOD Single : A 88 THR OG1 : rot -170:sc= 0.00105 USER MOD Single : A 89 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 90 ASN : amide:sc= -3.53! C(o=-3.5!,f=-8.2!) USER MOD Single : A 102 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.41) USER MOD Single : A 103 THR OG1 : rot -78:sc= 0.188 USER MOD Single : A 104 THR OG1 : rot -147:sc= 0.844 USER MOD Single : A 109 SER OG : rot 180:sc= -0.142 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl -155:sc= -0.154 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 -13.743 8.018 -5.672 1.00 0.00 N ATOM 62 CA ASN A 6 -14.246 9.324 -5.164 1.00 0.00 C ATOM 63 C ASN A 6 -13.436 9.737 -3.934 1.00 0.00 C ATOM 64 O ASN A 6 -13.205 10.905 -3.695 1.00 0.00 O ATOM 65 CB ASN A 6 -15.721 9.190 -4.783 1.00 0.00 C ATOM 66 CG ASN A 6 -16.526 8.753 -6.008 1.00 0.00 C ATOM 67 OD1 ASN A 6 -16.077 8.897 -7.128 1.00 0.00 O ATOM 68 ND2 ASN A 6 -17.706 8.221 -5.843 1.00 0.00 N ATOM 0 HA ASN A 6 -14.140 10.082 -5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -15.836 8.461 -3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -16.098 10.141 -4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -18.251 7.926 -6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -18.084 8.100 -4.903 1.00 0.00 H new ATOM 75 N THR A 7 -13.002 8.787 -3.152 1.00 0.00 N ATOM 76 CA THR A 7 -12.207 9.124 -1.938 1.00 0.00 C ATOM 77 C THR A 7 -10.925 8.286 -1.930 1.00 0.00 C ATOM 78 O THR A 7 -10.893 7.185 -2.443 1.00 0.00 O ATOM 79 CB THR A 7 -13.039 8.819 -0.687 1.00 0.00 C ATOM 80 OG1 THR A 7 -12.444 9.440 0.440 1.00 0.00 O ATOM 81 CG2 THR A 7 -13.105 7.310 -0.459 1.00 0.00 C ATOM 0 H THR A 7 -13.164 7.791 -3.302 1.00 0.00 H new ATOM 0 HA THR A 7 -11.946 10.182 -1.945 1.00 0.00 H new ATOM 0 HB THR A 7 -14.049 9.204 -0.828 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.625 8.906 1.241 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.698 7.102 0.432 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.567 6.831 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.097 6.918 -0.323 1.00 0.00 H new ATOM 89 N PRO A 8 -9.844 8.820 -1.340 1.00 0.00 N ATOM 90 CA PRO A 8 -8.552 8.122 -1.271 1.00 0.00 C ATOM 91 C PRO A 8 -8.624 6.853 -0.415 1.00 0.00 C ATOM 92 O PRO A 8 -7.936 5.886 -0.670 1.00 0.00 O ATOM 93 CB PRO A 8 -7.625 9.149 -0.622 1.00 0.00 C ATOM 94 CG PRO A 8 -8.541 10.042 0.140 1.00 0.00 C ATOM 95 CD PRO A 8 -9.786 10.142 -0.692 1.00 0.00 C ATOM 0 HA PRO A 8 -8.217 7.788 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.899 8.670 0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.060 9.704 -1.371 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.760 9.631 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.093 11.023 0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.668 10.333 -0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.723 10.949 -1.422 1.00 0.00 H new ATOM 103 N TRP A 9 -9.451 6.843 0.595 1.00 0.00 N ATOM 104 CA TRP A 9 -9.554 5.626 1.450 1.00 0.00 C ATOM 105 C TRP A 9 -10.618 4.689 0.876 1.00 0.00 C ATOM 106 O TRP A 9 -11.170 3.859 1.569 1.00 0.00 O ATOM 107 CB TRP A 9 -9.928 6.026 2.880 1.00 0.00 C ATOM 108 CG TRP A 9 -11.275 6.670 2.890 1.00 0.00 C ATOM 109 CD1 TRP A 9 -12.449 6.008 2.996 1.00 0.00 C ATOM 110 CD2 TRP A 9 -11.607 8.085 2.801 1.00 0.00 C ATOM 111 NE1 TRP A 9 -13.482 6.928 2.975 1.00 0.00 N ATOM 112 CE2 TRP A 9 -13.014 8.221 2.856 1.00 0.00 C ATOM 113 CE3 TRP A 9 -10.831 9.253 2.676 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -13.631 9.470 2.792 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -11.450 10.513 2.612 1.00 0.00 C ATOM 116 CH2 TRP A 9 -12.847 10.620 2.670 1.00 0.00 C ATOM 0 H TRP A 9 -10.056 7.619 0.864 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.593 5.113 1.466 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.931 5.147 3.524 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.183 6.713 3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.562 4.937 3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -14.469 6.681 3.040 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.754 9.180 2.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -14.707 9.548 2.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -10.847 11.404 2.518 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -13.317 11.591 2.620 1.00 0.00 H new ATOM 127 N SER A 10 -10.897 4.805 -0.393 1.00 0.00 N ATOM 128 CA SER A 10 -11.910 3.912 -1.021 1.00 0.00 C ATOM 129 C SER A 10 -11.181 2.860 -1.856 1.00 0.00 C ATOM 130 O SER A 10 -11.609 1.728 -1.964 1.00 0.00 O ATOM 131 CB SER A 10 -12.834 4.731 -1.923 1.00 0.00 C ATOM 132 OG SER A 10 -14.123 4.809 -1.333 1.00 0.00 O ATOM 0 H SER A 10 -10.466 5.481 -1.023 1.00 0.00 H new ATOM 0 HA SER A 10 -12.508 3.429 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.427 5.732 -2.066 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.901 4.270 -2.908 1.00 0.00 H new ATOM 0 HG SER A 10 -14.728 5.294 -1.932 1.00 0.00 H new ATOM 138 N SER A 11 -10.074 3.230 -2.440 1.00 0.00 N ATOM 139 CA SER A 11 -9.300 2.264 -3.265 1.00 0.00 C ATOM 140 C SER A 11 -7.929 2.043 -2.621 1.00 0.00 C ATOM 141 O SER A 11 -7.482 2.828 -1.807 1.00 0.00 O ATOM 142 CB SER A 11 -9.119 2.827 -4.677 1.00 0.00 C ATOM 143 OG SER A 11 -8.882 1.762 -5.585 1.00 0.00 O ATOM 0 H SER A 11 -9.672 4.165 -2.380 1.00 0.00 H new ATOM 0 HA SER A 11 -9.836 1.317 -3.322 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.008 3.382 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.284 3.528 -4.696 1.00 0.00 H new ATOM 0 HG SER A 11 -8.768 2.122 -6.489 1.00 0.00 H new ATOM 149 N LYS A 12 -7.260 0.983 -2.974 1.00 0.00 N ATOM 150 CA LYS A 12 -5.921 0.712 -2.377 1.00 0.00 C ATOM 151 C LYS A 12 -4.892 1.691 -2.948 1.00 0.00 C ATOM 152 O LYS A 12 -4.048 2.202 -2.239 1.00 0.00 O ATOM 153 CB LYS A 12 -5.500 -0.718 -2.710 1.00 0.00 C ATOM 154 CG LYS A 12 -4.523 -1.226 -1.648 1.00 0.00 C ATOM 155 CD LYS A 12 -4.201 -2.697 -1.916 1.00 0.00 C ATOM 156 CE LYS A 12 -3.283 -2.802 -3.136 1.00 0.00 C ATOM 157 NZ LYS A 12 -4.100 -2.736 -4.379 1.00 0.00 N ATOM 0 H LYS A 12 -7.581 0.291 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.975 0.837 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.376 -1.365 -2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.032 -0.750 -3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.609 -0.633 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.957 -1.112 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.718 -3.140 -1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.120 -3.256 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.552 -1.993 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.724 -3.737 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.841 -3.524 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.109 -2.804 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.922 -1.834 -4.864 1.00 0.00 H new ATOM 171 N ALA A 13 -4.950 1.951 -4.224 1.00 0.00 N ATOM 172 CA ALA A 13 -3.972 2.892 -4.840 1.00 0.00 C ATOM 173 C ALA A 13 -4.360 4.331 -4.496 1.00 0.00 C ATOM 174 O ALA A 13 -3.516 5.196 -4.363 1.00 0.00 O ATOM 175 CB ALA A 13 -3.978 2.710 -6.359 1.00 0.00 C ATOM 0 H ALA A 13 -5.633 1.552 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.975 2.684 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.263 3.398 -6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.700 1.685 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.975 2.918 -6.746 1.00 0.00 H new ATOM 181 N ASN A 14 -5.629 4.596 -4.354 1.00 0.00 N ATOM 182 CA ASN A 14 -6.067 5.981 -4.024 1.00 0.00 C ATOM 183 C ASN A 14 -5.698 6.307 -2.574 1.00 0.00 C ATOM 184 O ASN A 14 -5.398 7.436 -2.239 1.00 0.00 O ATOM 185 CB ASN A 14 -7.583 6.092 -4.201 1.00 0.00 C ATOM 186 CG ASN A 14 -7.949 7.528 -4.581 1.00 0.00 C ATOM 187 OD1 ASN A 14 -7.095 8.308 -4.952 1.00 0.00 O ATOM 188 ND2 ASN A 14 -9.193 7.913 -4.506 1.00 0.00 N ATOM 0 H ASN A 14 -6.381 3.914 -4.452 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.569 6.685 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.921 5.403 -4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.089 5.809 -3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.447 8.868 -4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.911 7.259 -4.195 1.00 0.00 H new ATOM 195 N ALA A 15 -5.723 5.330 -1.708 1.00 0.00 N ATOM 196 CA ALA A 15 -5.381 5.591 -0.280 1.00 0.00 C ATOM 197 C ALA A 15 -3.874 5.819 -0.134 1.00 0.00 C ATOM 198 O ALA A 15 -3.434 6.634 0.652 1.00 0.00 O ATOM 199 CB ALA A 15 -5.801 4.392 0.574 1.00 0.00 C ATOM 0 H ALA A 15 -5.965 4.364 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.911 6.483 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.551 4.583 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.876 4.238 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.276 3.500 0.232 1.00 0.00 H new ATOM 205 N ASP A 16 -3.080 5.097 -0.875 1.00 0.00 N ATOM 206 CA ASP A 16 -1.601 5.265 -0.768 1.00 0.00 C ATOM 207 C ASP A 16 -1.217 6.724 -1.025 1.00 0.00 C ATOM 208 O ASP A 16 -0.582 7.360 -0.207 1.00 0.00 O ATOM 209 CB ASP A 16 -0.914 4.367 -1.799 1.00 0.00 C ATOM 210 CG ASP A 16 -1.165 2.899 -1.446 1.00 0.00 C ATOM 211 OD1 ASP A 16 -1.614 2.646 -0.340 1.00 0.00 O ATOM 212 OD2 ASP A 16 -0.905 2.055 -2.287 1.00 0.00 O ATOM 0 H ASP A 16 -3.390 4.398 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.281 4.986 0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.296 4.583 -2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.157 4.570 -1.817 1.00 0.00 H new ATOM 217 N ALA A 17 -1.588 7.260 -2.155 1.00 0.00 N ATOM 218 CA ALA A 17 -1.233 8.678 -2.457 1.00 0.00 C ATOM 219 C ALA A 17 -1.669 9.573 -1.294 1.00 0.00 C ATOM 220 O ALA A 17 -0.954 10.466 -0.885 1.00 0.00 O ATOM 221 CB ALA A 17 -1.943 9.122 -3.736 1.00 0.00 C ATOM 0 H ALA A 17 -2.120 6.780 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.155 8.760 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.683 10.158 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.631 8.486 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.021 9.039 -3.601 1.00 0.00 H new ATOM 227 N PHE A 18 -2.837 9.342 -0.763 1.00 0.00 N ATOM 228 CA PHE A 18 -3.320 10.180 0.372 1.00 0.00 C ATOM 229 C PHE A 18 -2.328 10.088 1.532 1.00 0.00 C ATOM 230 O PHE A 18 -2.027 11.068 2.184 1.00 0.00 O ATOM 231 CB PHE A 18 -4.689 9.674 0.826 1.00 0.00 C ATOM 232 CG PHE A 18 -5.264 10.618 1.854 1.00 0.00 C ATOM 233 CD1 PHE A 18 -4.935 10.468 3.206 1.00 0.00 C ATOM 234 CD2 PHE A 18 -6.127 11.644 1.453 1.00 0.00 C ATOM 235 CE1 PHE A 18 -5.470 11.344 4.158 1.00 0.00 C ATOM 236 CE2 PHE A 18 -6.662 12.520 2.405 1.00 0.00 C ATOM 237 CZ PHE A 18 -6.333 12.371 3.757 1.00 0.00 C ATOM 0 H PHE A 18 -3.479 8.609 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.404 11.218 0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.361 9.598 -0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.596 8.673 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.268 9.676 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.380 11.760 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.217 11.228 5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.329 13.311 2.096 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.745 13.048 4.491 1.00 0.00 H new ATOM 247 N ILE A 19 -1.819 8.916 1.797 1.00 0.00 N ATOM 248 CA ILE A 19 -0.848 8.761 2.916 1.00 0.00 C ATOM 249 C ILE A 19 0.450 9.496 2.572 1.00 0.00 C ATOM 250 O ILE A 19 0.971 10.260 3.360 1.00 0.00 O ATOM 251 CB ILE A 19 -0.549 7.276 3.130 1.00 0.00 C ATOM 252 CG1 ILE A 19 -1.854 6.520 3.393 1.00 0.00 C ATOM 253 CG2 ILE A 19 0.384 7.114 4.330 1.00 0.00 C ATOM 254 CD1 ILE A 19 -2.685 7.275 4.432 1.00 0.00 C ATOM 0 H ILE A 19 -2.034 8.059 1.287 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.274 9.182 3.827 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.071 6.871 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.419 6.416 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.637 5.513 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.598 6.056 4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.315 7.649 4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.095 7.521 5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.613 6.735 4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.120 7.356 5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.914 8.273 4.059 1.00 0.00 H new ATOM 266 N ASN A 20 0.977 9.265 1.402 1.00 0.00 N ATOM 267 CA ASN A 20 2.245 9.942 1.003 1.00 0.00 C ATOM 268 C ASN A 20 2.044 11.459 0.989 1.00 0.00 C ATOM 269 O ASN A 20 2.830 12.204 1.539 1.00 0.00 O ATOM 270 CB ASN A 20 2.650 9.474 -0.395 1.00 0.00 C ATOM 271 CG ASN A 20 2.767 7.949 -0.409 1.00 0.00 C ATOM 272 OD1 ASN A 20 3.434 7.371 0.424 1.00 0.00 O ATOM 273 ND2 ASN A 20 2.140 7.269 -1.330 1.00 0.00 N ATOM 0 H ASN A 20 0.584 8.635 0.702 1.00 0.00 H new ATOM 0 HA ASN A 20 3.027 9.689 1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.911 9.799 -1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.601 9.925 -0.680 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.211 6.252 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.579 7.755 -2.030 1.00 0.00 H new ATOM 280 N SER A 21 1.003 11.923 0.357 1.00 0.00 N ATOM 281 CA SER A 21 0.756 13.392 0.295 1.00 0.00 C ATOM 282 C SER A 21 0.546 13.949 1.705 1.00 0.00 C ATOM 283 O SER A 21 0.862 15.089 1.984 1.00 0.00 O ATOM 284 CB SER A 21 -0.492 13.660 -0.548 1.00 0.00 C ATOM 285 OG SER A 21 -0.496 15.017 -0.967 1.00 0.00 O ATOM 0 H SER A 21 0.310 11.347 -0.121 1.00 0.00 H new ATOM 0 HA SER A 21 1.619 13.881 -0.156 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.507 13.000 -1.415 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.389 13.444 0.032 1.00 0.00 H new ATOM 0 HG SER A 21 -1.294 15.190 -1.509 1.00 0.00 H new ATOM 291 N PHE A 22 0.008 13.162 2.595 1.00 0.00 N ATOM 292 CA PHE A 22 -0.228 13.660 3.982 1.00 0.00 C ATOM 293 C PHE A 22 1.110 13.918 4.678 1.00 0.00 C ATOM 294 O PHE A 22 1.291 14.921 5.340 1.00 0.00 O ATOM 295 CB PHE A 22 -1.016 12.615 4.773 1.00 0.00 C ATOM 296 CG PHE A 22 -1.155 13.074 6.205 1.00 0.00 C ATOM 297 CD1 PHE A 22 -0.076 12.948 7.087 1.00 0.00 C ATOM 298 CD2 PHE A 22 -2.363 13.624 6.648 1.00 0.00 C ATOM 299 CE1 PHE A 22 -0.205 13.372 8.416 1.00 0.00 C ATOM 300 CE2 PHE A 22 -2.492 14.048 7.976 1.00 0.00 C ATOM 301 CZ PHE A 22 -1.413 13.923 8.859 1.00 0.00 C ATOM 0 H PHE A 22 -0.278 12.198 2.424 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.795 14.590 3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.001 12.471 4.328 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.506 11.653 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.856 12.524 6.743 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.195 13.721 5.966 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.627 13.274 9.098 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.424 14.472 8.319 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.513 14.252 9.883 1.00 0.00 H new ATOM 311 N ILE A 23 2.047 13.020 4.545 1.00 0.00 N ATOM 312 CA ILE A 23 3.367 13.217 5.209 1.00 0.00 C ATOM 313 C ILE A 23 4.138 14.337 4.508 1.00 0.00 C ATOM 314 O ILE A 23 4.550 15.301 5.124 1.00 0.00 O ATOM 315 CB ILE A 23 4.173 11.921 5.129 1.00 0.00 C ATOM 316 CG1 ILE A 23 3.365 10.776 5.742 1.00 0.00 C ATOM 317 CG2 ILE A 23 5.485 12.089 5.900 1.00 0.00 C ATOM 318 CD1 ILE A 23 3.127 11.058 7.226 1.00 0.00 C ATOM 0 H ILE A 23 1.956 12.159 4.006 1.00 0.00 H new ATOM 0 HA ILE A 23 3.208 13.488 6.253 1.00 0.00 H new ATOM 0 HB ILE A 23 4.390 11.693 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.412 10.671 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.900 9.834 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.061 11.165 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.062 12.904 5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.267 12.318 6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.551 10.242 7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.085 11.142 7.739 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.575 11.991 7.335 1.00 0.00 H new ATOM 330 N SER A 24 4.344 14.216 3.226 1.00 0.00 N ATOM 331 CA SER A 24 5.095 15.270 2.487 1.00 0.00 C ATOM 332 C SER A 24 4.427 16.631 2.702 1.00 0.00 C ATOM 333 O SER A 24 5.087 17.644 2.819 1.00 0.00 O ATOM 334 CB SER A 24 5.102 14.935 0.994 1.00 0.00 C ATOM 335 OG SER A 24 5.623 13.628 0.804 1.00 0.00 O ATOM 0 H SER A 24 4.024 13.432 2.657 1.00 0.00 H new ATOM 0 HA SER A 24 6.119 15.311 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.091 14.997 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.706 15.661 0.450 1.00 0.00 H new ATOM 0 HG SER A 24 4.906 12.970 0.918 1.00 0.00 H new ATOM 341 N ALA A 25 3.123 16.663 2.750 1.00 0.00 N ATOM 342 CA ALA A 25 2.418 17.961 2.952 1.00 0.00 C ATOM 343 C ALA A 25 2.485 18.364 4.427 1.00 0.00 C ATOM 344 O ALA A 25 2.775 19.497 4.756 1.00 0.00 O ATOM 345 CB ALA A 25 0.954 17.813 2.534 1.00 0.00 C ATOM 0 H ALA A 25 2.516 15.848 2.658 1.00 0.00 H new ATOM 0 HA ALA A 25 2.899 18.729 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.436 18.761 2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.903 17.530 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.479 17.042 3.141 1.00 0.00 H new ATOM 351 N ALA A 26 2.213 17.450 5.316 1.00 0.00 N ATOM 352 CA ALA A 26 2.253 17.785 6.768 1.00 0.00 C ATOM 353 C ALA A 26 3.670 18.203 7.167 1.00 0.00 C ATOM 354 O ALA A 26 3.859 19.078 7.987 1.00 0.00 O ATOM 355 CB ALA A 26 1.836 16.560 7.583 1.00 0.00 C ATOM 0 H ALA A 26 1.964 16.485 5.100 1.00 0.00 H new ATOM 0 HA ALA A 26 1.567 18.609 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.865 16.803 8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.824 16.265 7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.522 15.737 7.380 1.00 0.00 H new ATOM 361 N SER A 27 4.667 17.581 6.600 1.00 0.00 N ATOM 362 CA SER A 27 6.068 17.944 6.958 1.00 0.00 C ATOM 363 C SER A 27 6.378 19.363 6.475 1.00 0.00 C ATOM 364 O SER A 27 7.274 20.014 6.973 1.00 0.00 O ATOM 365 CB SER A 27 7.033 16.960 6.295 1.00 0.00 C ATOM 366 OG SER A 27 6.973 17.114 4.885 1.00 0.00 O ATOM 0 H SER A 27 4.573 16.839 5.906 1.00 0.00 H new ATOM 0 HA SER A 27 6.184 17.900 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.049 17.137 6.648 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.773 15.938 6.571 1.00 0.00 H new ATOM 0 HG SER A 27 6.058 17.344 4.620 1.00 0.00 H new ATOM 372 N ASN A 28 5.651 19.846 5.505 1.00 0.00 N ATOM 373 CA ASN A 28 5.915 21.221 4.992 1.00 0.00 C ATOM 374 C ASN A 28 4.830 22.180 5.488 1.00 0.00 C ATOM 375 O ASN A 28 4.769 23.322 5.079 1.00 0.00 O ATOM 376 CB ASN A 28 5.911 21.203 3.462 1.00 0.00 C ATOM 377 CG ASN A 28 7.083 20.358 2.958 1.00 0.00 C ATOM 378 OD1 ASN A 28 7.997 20.061 3.702 1.00 0.00 O ATOM 379 ND2 ASN A 28 7.092 19.954 1.718 1.00 0.00 N ATOM 0 H ASN A 28 4.887 19.350 5.046 1.00 0.00 H new ATOM 0 HA ASN A 28 6.886 21.557 5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.970 20.794 3.095 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.989 22.219 3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.867 19.388 1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.324 20.204 1.095 1.00 0.00 H new ATOM 386 N THR A 29 3.967 21.728 6.356 1.00 0.00 N ATOM 387 CA THR A 29 2.888 22.624 6.857 1.00 0.00 C ATOM 388 C THR A 29 3.245 23.157 8.248 1.00 0.00 C ATOM 389 O THR A 29 3.580 24.313 8.411 1.00 0.00 O ATOM 390 CB THR A 29 1.573 21.849 6.937 1.00 0.00 C ATOM 391 OG1 THR A 29 1.395 21.097 5.745 1.00 0.00 O ATOM 392 CG2 THR A 29 0.414 22.832 7.103 1.00 0.00 C ATOM 0 H THR A 29 3.962 20.782 6.738 1.00 0.00 H new ATOM 0 HA THR A 29 2.781 23.463 6.169 1.00 0.00 H new ATOM 0 HB THR A 29 1.598 21.172 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.950 20.290 5.782 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.525 22.281 7.160 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.553 23.408 8.018 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.386 23.509 6.249 1.00 0.00 H new ATOM 400 N GLY A 30 3.166 22.329 9.253 1.00 0.00 N ATOM 401 CA GLY A 30 3.489 22.798 10.629 1.00 0.00 C ATOM 402 C GLY A 30 4.989 22.657 10.888 1.00 0.00 C ATOM 403 O GLY A 30 5.792 23.406 10.369 1.00 0.00 O ATOM 0 H GLY A 30 2.892 21.349 9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.187 23.838 10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.928 22.217 11.362 1.00 0.00 H new ATOM 407 N SER A 31 5.372 21.705 11.692 1.00 0.00 N ATOM 408 CA SER A 31 6.820 21.522 11.990 1.00 0.00 C ATOM 409 C SER A 31 7.237 20.086 11.665 1.00 0.00 C ATOM 410 O SER A 31 8.038 19.849 10.784 1.00 0.00 O ATOM 411 CB SER A 31 7.072 21.801 13.473 1.00 0.00 C ATOM 412 OG SER A 31 7.947 22.912 13.603 1.00 0.00 O ATOM 0 H SER A 31 4.746 21.046 12.155 1.00 0.00 H new ATOM 0 HA SER A 31 7.404 22.213 11.382 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.129 22.005 13.981 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.508 20.923 13.950 1.00 0.00 H new ATOM 0 HG SER A 31 8.108 23.093 14.553 1.00 0.00 H new ATOM 418 N PHE A 32 6.706 19.125 12.373 1.00 0.00 N ATOM 419 CA PHE A 32 7.082 17.710 12.101 1.00 0.00 C ATOM 420 C PHE A 32 8.599 17.616 11.933 1.00 0.00 C ATOM 421 O PHE A 32 9.103 17.436 10.841 1.00 0.00 O ATOM 422 CB PHE A 32 6.400 17.233 10.818 1.00 0.00 C ATOM 423 CG PHE A 32 4.969 16.854 11.119 1.00 0.00 C ATOM 424 CD1 PHE A 32 4.698 15.737 11.915 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.914 17.616 10.598 1.00 0.00 C ATOM 426 CE1 PHE A 32 3.374 15.379 12.194 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.589 17.258 10.877 1.00 0.00 C ATOM 428 CZ PHE A 32 2.320 16.140 11.675 1.00 0.00 C ATOM 0 H PHE A 32 6.030 19.259 13.125 1.00 0.00 H new ATOM 0 HA PHE A 32 6.763 17.083 12.934 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.428 18.020 10.064 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.935 16.377 10.406 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.511 15.150 12.315 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.123 18.478 9.982 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.166 14.516 12.809 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.775 17.844 10.477 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.298 15.864 11.891 1.00 0.00 H new ATOM 438 N SER A 33 9.333 17.740 13.003 1.00 0.00 N ATOM 439 CA SER A 33 10.817 17.662 12.903 1.00 0.00 C ATOM 440 C SER A 33 11.215 16.301 12.329 1.00 0.00 C ATOM 441 O SER A 33 10.424 15.381 12.281 1.00 0.00 O ATOM 442 CB SER A 33 11.431 17.829 14.294 1.00 0.00 C ATOM 443 OG SER A 33 10.983 19.049 14.866 1.00 0.00 O ATOM 0 H SER A 33 8.969 17.892 13.944 1.00 0.00 H new ATOM 0 HA SER A 33 11.181 18.454 12.249 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.148 16.991 14.931 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.519 17.825 14.226 1.00 0.00 H new ATOM 0 HG SER A 33 11.375 19.155 15.758 1.00 0.00 H new ATOM 449 N GLN A 34 12.438 16.164 11.895 1.00 0.00 N ATOM 450 CA GLN A 34 12.881 14.860 11.329 1.00 0.00 C ATOM 451 C GLN A 34 12.557 13.746 12.325 1.00 0.00 C ATOM 452 O GLN A 34 12.304 12.618 11.950 1.00 0.00 O ATOM 453 CB GLN A 34 14.389 14.898 11.075 1.00 0.00 C ATOM 454 CG GLN A 34 14.691 15.889 9.949 1.00 0.00 C ATOM 455 CD GLN A 34 16.188 15.862 9.633 1.00 0.00 C ATOM 456 OE1 GLN A 34 16.974 15.339 10.398 1.00 0.00 O ATOM 457 NE2 GLN A 34 16.619 16.407 8.528 1.00 0.00 N ATOM 0 H GLN A 34 13.147 16.897 11.908 1.00 0.00 H new ATOM 0 HA GLN A 34 12.363 14.673 10.388 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.914 15.192 11.984 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.749 13.905 10.806 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.116 15.631 9.060 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.389 16.894 10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.960 16.846 7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.615 16.394 8.307 1.00 0.00 H new ATOM 466 N ASP A 35 12.562 14.056 13.592 1.00 0.00 N ATOM 467 CA ASP A 35 12.252 13.019 14.616 1.00 0.00 C ATOM 468 C ASP A 35 10.783 12.608 14.494 1.00 0.00 C ATOM 469 O ASP A 35 10.433 11.459 14.682 1.00 0.00 O ATOM 470 CB ASP A 35 12.508 13.588 16.012 1.00 0.00 C ATOM 471 CG ASP A 35 14.011 13.788 16.213 1.00 0.00 C ATOM 472 OD1 ASP A 35 14.769 13.296 15.395 1.00 0.00 O ATOM 473 OD2 ASP A 35 14.378 14.430 17.183 1.00 0.00 O ATOM 0 H ASP A 35 12.768 14.984 13.963 1.00 0.00 H new ATOM 0 HA ASP A 35 12.888 12.148 14.457 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.985 14.537 16.131 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.116 12.910 16.770 1.00 0.00 H new ATOM 478 N GLN A 36 9.918 13.535 14.179 1.00 0.00 N ATOM 479 CA GLN A 36 8.476 13.190 14.045 1.00 0.00 C ATOM 480 C GLN A 36 8.272 12.351 12.783 1.00 0.00 C ATOM 481 O GLN A 36 7.424 11.483 12.733 1.00 0.00 O ATOM 482 CB GLN A 36 7.650 14.473 13.944 1.00 0.00 C ATOM 483 CG GLN A 36 8.045 15.423 15.076 1.00 0.00 C ATOM 484 CD GLN A 36 6.992 16.526 15.208 1.00 0.00 C ATOM 485 OE1 GLN A 36 5.865 16.359 14.786 1.00 0.00 O ATOM 486 NE2 GLN A 36 7.316 17.653 15.778 1.00 0.00 N ATOM 0 H GLN A 36 10.149 14.514 14.009 1.00 0.00 H new ATOM 0 HA GLN A 36 8.155 12.621 14.918 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.817 14.951 12.979 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.587 14.240 14.005 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.130 14.873 16.013 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.022 15.861 14.873 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.263 17.792 16.132 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.623 18.396 15.870 1.00 0.00 H new ATOM 495 N MET A 37 9.048 12.602 11.764 1.00 0.00 N ATOM 496 CA MET A 37 8.901 11.817 10.507 1.00 0.00 C ATOM 497 C MET A 37 9.231 10.350 10.785 1.00 0.00 C ATOM 498 O MET A 37 8.710 9.456 10.150 1.00 0.00 O ATOM 499 CB MET A 37 9.851 12.373 9.445 1.00 0.00 C ATOM 500 CG MET A 37 9.469 13.823 9.142 1.00 0.00 C ATOM 501 SD MET A 37 10.641 14.529 7.959 1.00 0.00 S ATOM 502 CE MET A 37 9.817 16.127 7.763 1.00 0.00 C ATOM 0 H MET A 37 9.776 13.316 11.748 1.00 0.00 H new ATOM 0 HA MET A 37 7.876 11.892 10.144 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.881 12.321 9.798 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.794 11.772 8.538 1.00 0.00 H new ATOM 0 HG2 MET A 37 8.458 13.866 8.736 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.468 14.409 10.061 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.742 16.370 6.703 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.818 16.077 8.195 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.394 16.899 8.272 1.00 0.00 H new ATOM 512 N GLU A 38 10.089 10.094 11.735 1.00 0.00 N ATOM 513 CA GLU A 38 10.440 8.682 12.056 1.00 0.00 C ATOM 514 C GLU A 38 9.160 7.920 12.406 1.00 0.00 C ATOM 515 O GLU A 38 8.998 6.767 12.063 1.00 0.00 O ATOM 516 CB GLU A 38 11.397 8.650 13.249 1.00 0.00 C ATOM 517 CG GLU A 38 11.901 7.221 13.460 1.00 0.00 C ATOM 518 CD GLU A 38 12.827 7.180 14.676 1.00 0.00 C ATOM 519 OE1 GLU A 38 13.036 8.223 15.274 1.00 0.00 O ATOM 520 OE2 GLU A 38 13.313 6.106 14.991 1.00 0.00 O ATOM 0 H GLU A 38 10.561 10.799 12.301 1.00 0.00 H new ATOM 0 HA GLU A 38 10.924 8.217 11.197 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.238 9.321 13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.889 9.004 14.146 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.059 6.545 13.608 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.433 6.877 12.573 1.00 0.00 H new ATOM 527 N ASN A 39 8.246 8.564 13.081 1.00 0.00 N ATOM 528 CA ASN A 39 6.971 7.886 13.446 1.00 0.00 C ATOM 529 C ASN A 39 6.272 7.414 12.172 1.00 0.00 C ATOM 530 O ASN A 39 5.590 6.409 12.161 1.00 0.00 O ATOM 531 CB ASN A 39 6.068 8.867 14.196 1.00 0.00 C ATOM 532 CG ASN A 39 6.738 9.268 15.511 1.00 0.00 C ATOM 533 OD1 ASN A 39 7.086 8.422 16.311 1.00 0.00 O ATOM 534 ND2 ASN A 39 6.936 10.531 15.771 1.00 0.00 N ATOM 0 H ASN A 39 8.328 9.531 13.395 1.00 0.00 H new ATOM 0 HA ASN A 39 7.180 7.029 14.086 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.884 9.750 13.584 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.099 8.409 14.393 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.383 10.808 16.645 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.644 11.242 15.100 1.00 0.00 H new ATOM 541 N MET A 40 6.442 8.131 11.096 1.00 0.00 N ATOM 542 CA MET A 40 5.793 7.722 9.819 1.00 0.00 C ATOM 543 C MET A 40 6.213 6.290 9.488 1.00 0.00 C ATOM 544 O MET A 40 5.467 5.532 8.902 1.00 0.00 O ATOM 545 CB MET A 40 6.237 8.658 8.694 1.00 0.00 C ATOM 546 CG MET A 40 5.622 8.195 7.373 1.00 0.00 C ATOM 547 SD MET A 40 6.408 9.072 6.000 1.00 0.00 S ATOM 548 CE MET A 40 8.004 8.222 6.071 1.00 0.00 C ATOM 0 H MET A 40 7.002 8.982 11.046 1.00 0.00 H new ATOM 0 HA MET A 40 4.709 7.776 9.922 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.927 9.680 8.913 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.324 8.664 8.619 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.755 7.120 7.255 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.549 8.385 7.373 1.00 0.00 H new ATOM 0 HE1 MET A 40 8.457 8.215 5.080 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.663 8.742 6.767 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.855 7.197 6.410 1.00 0.00 H new ATOM 558 N SER A 41 7.401 5.913 9.865 1.00 0.00 N ATOM 559 CA SER A 41 7.862 4.527 9.579 1.00 0.00 C ATOM 560 C SER A 41 6.855 3.537 10.167 1.00 0.00 C ATOM 561 O SER A 41 6.746 2.411 9.725 1.00 0.00 O ATOM 562 CB SER A 41 9.234 4.300 10.216 1.00 0.00 C ATOM 563 OG SER A 41 9.135 4.459 11.624 1.00 0.00 O ATOM 0 H SER A 41 8.072 6.503 10.358 1.00 0.00 H new ATOM 0 HA SER A 41 7.939 4.380 8.502 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.597 3.300 9.977 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.957 5.007 9.809 1.00 0.00 H new ATOM 0 HG SER A 41 9.542 5.311 11.886 1.00 0.00 H new ATOM 569 N LEU A 42 6.116 3.951 11.161 1.00 0.00 N ATOM 570 CA LEU A 42 5.113 3.036 11.774 1.00 0.00 C ATOM 571 C LEU A 42 3.710 3.467 11.349 1.00 0.00 C ATOM 572 O LEU A 42 2.788 2.677 11.320 1.00 0.00 O ATOM 573 CB LEU A 42 5.225 3.099 13.299 1.00 0.00 C ATOM 574 CG LEU A 42 6.509 2.399 13.745 1.00 0.00 C ATOM 575 CD1 LEU A 42 7.705 3.321 13.497 1.00 0.00 C ATOM 576 CD2 LEU A 42 6.421 2.071 15.237 1.00 0.00 C ATOM 0 H LEU A 42 6.164 4.882 11.574 1.00 0.00 H new ATOM 0 HA LEU A 42 5.300 2.015 11.440 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.230 4.137 13.631 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.359 2.621 13.758 1.00 0.00 H new ATOM 0 HG LEU A 42 6.635 1.477 13.177 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.621 2.823 13.815 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.769 3.556 12.434 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.578 4.243 14.065 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.337 1.572 15.554 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.294 2.992 15.805 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.569 1.415 15.416 1.00 0.00 H new ATOM 588 N ILE A 43 3.540 4.719 11.020 1.00 0.00 N ATOM 589 CA ILE A 43 2.196 5.202 10.599 1.00 0.00 C ATOM 590 C ILE A 43 2.295 5.859 9.221 1.00 0.00 C ATOM 591 O ILE A 43 3.317 6.398 8.851 1.00 0.00 O ATOM 592 CB ILE A 43 1.681 6.220 11.615 1.00 0.00 C ATOM 593 CG1 ILE A 43 1.440 5.523 12.956 1.00 0.00 C ATOM 594 CG2 ILE A 43 0.371 6.825 11.109 1.00 0.00 C ATOM 595 CD1 ILE A 43 1.273 6.572 14.058 1.00 0.00 C ATOM 0 H ILE A 43 4.274 5.427 11.025 1.00 0.00 H new ATOM 0 HA ILE A 43 1.507 4.359 10.548 1.00 0.00 H new ATOM 0 HB ILE A 43 2.419 7.011 11.746 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.549 4.898 12.897 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.276 4.865 13.191 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.002 7.552 11.833 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.544 7.320 10.154 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.368 6.035 10.979 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.101 6.073 15.012 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.176 7.179 14.123 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.422 7.212 13.825 1.00 0.00 H new ATOM 607 N GLY A 44 1.240 5.816 8.456 1.00 0.00 N ATOM 608 CA GLY A 44 1.278 6.433 7.102 1.00 0.00 C ATOM 609 C GLY A 44 1.739 5.382 6.090 1.00 0.00 C ATOM 610 O GLY A 44 1.018 4.455 5.775 1.00 0.00 O ATOM 0 H GLY A 44 0.354 5.380 8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.291 6.809 6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.957 7.286 7.095 1.00 0.00 H new ATOM 614 N ASN A 45 2.936 5.508 5.586 1.00 0.00 N ATOM 615 CA ASN A 45 3.433 4.502 4.607 1.00 0.00 C ATOM 616 C ASN A 45 3.276 3.108 5.214 1.00 0.00 C ATOM 617 O ASN A 45 3.197 2.118 4.514 1.00 0.00 O ATOM 618 CB ASN A 45 4.907 4.769 4.300 1.00 0.00 C ATOM 619 CG ASN A 45 5.040 6.100 3.556 1.00 0.00 C ATOM 620 OD1 ASN A 45 4.054 6.678 3.145 1.00 0.00 O ATOM 621 ND2 ASN A 45 6.224 6.613 3.367 1.00 0.00 N ATOM 0 H ASN A 45 3.588 6.260 5.809 1.00 0.00 H new ATOM 0 HA ASN A 45 2.861 4.569 3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.483 4.798 5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.316 3.960 3.695 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.323 7.500 2.874 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.051 6.127 3.713 1.00 0.00 H new ATOM 628 N THR A 46 3.219 3.028 6.516 1.00 0.00 N ATOM 629 CA THR A 46 3.056 1.704 7.178 1.00 0.00 C ATOM 630 C THR A 46 1.661 1.162 6.867 1.00 0.00 C ATOM 631 O THR A 46 1.465 -0.026 6.711 1.00 0.00 O ATOM 632 CB THR A 46 3.216 1.863 8.691 1.00 0.00 C ATOM 633 OG1 THR A 46 4.455 2.497 8.972 1.00 0.00 O ATOM 634 CG2 THR A 46 3.181 0.487 9.356 1.00 0.00 C ATOM 0 H THR A 46 3.279 3.825 7.150 1.00 0.00 H new ATOM 0 HA THR A 46 3.813 1.012 6.808 1.00 0.00 H new ATOM 0 HB THR A 46 2.401 2.473 9.081 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.126 1.819 9.195 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.295 0.601 10.434 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.228 0.003 9.141 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.995 -0.126 8.968 1.00 0.00 H new ATOM 642 N LEU A 47 0.692 2.030 6.772 1.00 0.00 N ATOM 643 CA LEU A 47 -0.691 1.572 6.469 1.00 0.00 C ATOM 644 C LEU A 47 -0.664 0.692 5.218 1.00 0.00 C ATOM 645 O LEU A 47 -1.411 -0.259 5.100 1.00 0.00 O ATOM 646 CB LEU A 47 -1.586 2.790 6.220 1.00 0.00 C ATOM 647 CG LEU A 47 -3.056 2.367 6.264 1.00 0.00 C ATOM 648 CD1 LEU A 47 -3.371 1.478 5.059 1.00 0.00 C ATOM 649 CD2 LEU A 47 -3.323 1.593 7.557 1.00 0.00 C ATOM 0 H LEU A 47 0.799 3.037 6.891 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.084 1.001 7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.395 3.554 6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.354 3.232 5.251 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.690 3.253 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.418 1.178 5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.181 2.031 4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.738 0.591 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.370 1.291 7.591 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.688 0.707 7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.101 2.229 8.414 1.00 0.00 H new ATOM 661 N MET A 48 0.196 0.998 4.286 1.00 0.00 N ATOM 662 CA MET A 48 0.274 0.173 3.049 1.00 0.00 C ATOM 663 C MET A 48 0.581 -1.275 3.431 1.00 0.00 C ATOM 664 O MET A 48 0.079 -2.206 2.833 1.00 0.00 O ATOM 665 CB MET A 48 1.388 0.709 2.147 1.00 0.00 C ATOM 666 CG MET A 48 1.014 2.107 1.647 1.00 0.00 C ATOM 667 SD MET A 48 2.329 2.734 0.573 1.00 0.00 S ATOM 668 CE MET A 48 1.589 4.348 0.225 1.00 0.00 C ATOM 0 H MET A 48 0.847 1.782 4.328 1.00 0.00 H new ATOM 0 HA MET A 48 -0.676 0.219 2.516 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.328 0.748 2.697 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.540 0.038 1.302 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.071 2.070 1.102 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.867 2.780 2.492 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.493 4.480 -0.853 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.603 4.403 0.686 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.224 5.135 0.632 1.00 0.00 H new ATOM 678 N ALA A 49 1.400 -1.471 4.429 1.00 0.00 N ATOM 679 CA ALA A 49 1.737 -2.859 4.853 1.00 0.00 C ATOM 680 C ALA A 49 0.462 -3.571 5.306 1.00 0.00 C ATOM 681 O ALA A 49 0.321 -4.769 5.159 1.00 0.00 O ATOM 682 CB ALA A 49 2.734 -2.811 6.014 1.00 0.00 C ATOM 0 H ALA A 49 1.849 -0.731 4.968 1.00 0.00 H new ATOM 0 HA ALA A 49 2.181 -3.399 4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.980 -3.826 6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.641 -2.299 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.291 -2.273 6.852 1.00 0.00 H new ATOM 688 N ALA A 50 -0.472 -2.841 5.852 1.00 0.00 N ATOM 689 CA ALA A 50 -1.741 -3.472 6.310 1.00 0.00 C ATOM 690 C ALA A 50 -2.525 -3.968 5.095 1.00 0.00 C ATOM 691 O ALA A 50 -3.181 -4.990 5.140 1.00 0.00 O ATOM 692 CB ALA A 50 -2.576 -2.439 7.071 1.00 0.00 C ATOM 0 H ALA A 50 -0.410 -1.834 6.001 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.517 -4.312 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.505 -2.899 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.015 -2.082 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.803 -1.600 6.414 1.00 0.00 H new ATOM 698 N MET A 51 -2.460 -3.252 4.006 1.00 0.00 N ATOM 699 CA MET A 51 -3.198 -3.682 2.787 1.00 0.00 C ATOM 700 C MET A 51 -2.654 -5.032 2.314 1.00 0.00 C ATOM 701 O MET A 51 -3.368 -5.838 1.754 1.00 0.00 O ATOM 702 CB MET A 51 -3.008 -2.640 1.683 1.00 0.00 C ATOM 703 CG MET A 51 -3.501 -1.279 2.179 1.00 0.00 C ATOM 704 SD MET A 51 -3.215 -0.030 0.901 1.00 0.00 S ATOM 705 CE MET A 51 -3.891 1.380 1.811 1.00 0.00 C ATOM 0 H MET A 51 -1.927 -2.388 3.909 1.00 0.00 H new ATOM 0 HA MET A 51 -4.259 -3.778 3.017 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.956 -2.578 1.403 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.559 -2.935 0.790 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.563 -1.331 2.420 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.979 -1.003 3.095 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.603 1.912 1.180 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.396 1.025 2.709 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.081 2.053 2.093 1.00 0.00 H new ATOM 876 N LEU A 63 -11.771 -0.106 4.197 1.00 0.00 N ATOM 877 CA LEU A 63 -10.933 1.121 4.309 1.00 0.00 C ATOM 878 C LEU A 63 -11.648 2.141 5.194 1.00 0.00 C ATOM 879 O LEU A 63 -11.027 2.971 5.824 1.00 0.00 O ATOM 880 CB LEU A 63 -10.708 1.725 2.923 1.00 0.00 C ATOM 881 CG LEU A 63 -9.813 0.801 2.098 1.00 0.00 C ATOM 882 CD1 LEU A 63 -9.507 1.459 0.752 1.00 0.00 C ATOM 883 CD2 LEU A 63 -8.505 0.548 2.851 1.00 0.00 C ATOM 0 HA LEU A 63 -9.970 0.860 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.664 1.868 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.246 2.708 3.015 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.325 -0.147 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.869 0.801 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.438 1.638 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.996 2.407 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.868 -0.111 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.992 1.495 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.722 0.079 3.811 1.00 0.00 H new ATOM 895 N GLN A 64 -12.949 2.087 5.248 1.00 0.00 N ATOM 896 CA GLN A 64 -13.693 3.058 6.098 1.00 0.00 C ATOM 897 C GLN A 64 -13.184 2.956 7.537 1.00 0.00 C ATOM 898 O GLN A 64 -12.934 3.948 8.190 1.00 0.00 O ATOM 899 CB GLN A 64 -15.188 2.731 6.059 1.00 0.00 C ATOM 900 CG GLN A 64 -15.975 3.876 6.700 1.00 0.00 C ATOM 901 CD GLN A 64 -17.475 3.602 6.567 1.00 0.00 C ATOM 902 OE1 GLN A 64 -17.878 2.676 5.892 1.00 0.00 O ATOM 903 NE2 GLN A 64 -18.323 4.375 7.188 1.00 0.00 N ATOM 0 H GLN A 64 -13.528 1.416 4.743 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.536 4.070 5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.513 2.584 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.382 1.799 6.591 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -15.704 3.974 7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.723 4.820 6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -17.984 5.152 7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -19.325 4.202 7.107 1.00 0.00 H new ATOM 912 N ALA A 65 -13.028 1.758 8.033 1.00 0.00 N ATOM 913 CA ALA A 65 -12.532 1.584 9.427 1.00 0.00 C ATOM 914 C ALA A 65 -11.045 1.941 9.491 1.00 0.00 C ATOM 915 O ALA A 65 -10.594 2.613 10.398 1.00 0.00 O ATOM 916 CB ALA A 65 -12.722 0.127 9.853 1.00 0.00 C ATOM 0 H ALA A 65 -13.223 0.892 7.531 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.091 2.239 10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.360 -0.004 10.873 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.780 -0.130 9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.161 -0.524 9.182 1.00 0.00 H new ATOM 922 N LEU A 66 -10.279 1.492 8.535 1.00 0.00 N ATOM 923 CA LEU A 66 -8.820 1.795 8.537 1.00 0.00 C ATOM 924 C LEU A 66 -8.603 3.286 8.265 1.00 0.00 C ATOM 925 O LEU A 66 -7.763 3.923 8.870 1.00 0.00 O ATOM 926 CB LEU A 66 -8.136 0.971 7.445 1.00 0.00 C ATOM 927 CG LEU A 66 -6.619 1.098 7.580 1.00 0.00 C ATOM 928 CD1 LEU A 66 -6.126 0.168 8.689 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.960 0.709 6.256 1.00 0.00 C ATOM 0 H LEU A 66 -10.602 0.926 7.750 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.395 1.543 9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.432 -0.075 7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.454 1.317 6.462 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.359 2.127 7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.044 0.258 8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.599 0.443 9.632 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.383 -0.862 8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.878 0.798 6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.219 -0.320 6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.313 1.372 5.466 1.00 0.00 H new ATOM 941 N ASP A 67 -9.356 3.848 7.360 1.00 0.00 N ATOM 942 CA ASP A 67 -9.197 5.298 7.047 1.00 0.00 C ATOM 943 C ASP A 67 -9.182 6.099 8.350 1.00 0.00 C ATOM 944 O ASP A 67 -8.380 6.995 8.531 1.00 0.00 O ATOM 945 CB ASP A 67 -10.369 5.760 6.181 1.00 0.00 C ATOM 946 CG ASP A 67 -10.086 7.166 5.646 1.00 0.00 C ATOM 947 OD1 ASP A 67 -8.922 7.517 5.546 1.00 0.00 O ATOM 948 OD2 ASP A 67 -11.040 7.867 5.346 1.00 0.00 O ATOM 0 H ASP A 67 -10.076 3.366 6.822 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.261 5.456 6.510 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.518 5.067 5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.289 5.760 6.766 1.00 0.00 H new ATOM 953 N MET A 68 -10.065 5.786 9.256 1.00 0.00 N ATOM 954 CA MET A 68 -10.107 6.529 10.546 1.00 0.00 C ATOM 955 C MET A 68 -8.812 6.281 11.322 1.00 0.00 C ATOM 956 O MET A 68 -8.292 7.161 11.980 1.00 0.00 O ATOM 957 CB MET A 68 -11.298 6.041 11.373 1.00 0.00 C ATOM 958 CG MET A 68 -12.600 6.382 10.645 1.00 0.00 C ATOM 959 SD MET A 68 -14.006 6.038 11.731 1.00 0.00 S ATOM 960 CE MET A 68 -13.769 4.247 11.845 1.00 0.00 C ATOM 0 H MET A 68 -10.761 5.046 9.159 1.00 0.00 H new ATOM 0 HA MET A 68 -10.212 7.596 10.348 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.228 4.965 11.530 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.286 6.508 12.358 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.601 7.432 10.352 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.682 5.796 9.730 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.686 3.739 11.546 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.956 3.945 11.185 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.523 3.977 12.872 1.00 0.00 H new ATOM 970 N ALA A 69 -8.286 5.088 11.255 1.00 0.00 N ATOM 971 CA ALA A 69 -7.026 4.786 11.992 1.00 0.00 C ATOM 972 C ALA A 69 -5.933 5.771 11.570 1.00 0.00 C ATOM 973 O ALA A 69 -5.218 6.308 12.392 1.00 0.00 O ATOM 974 CB ALA A 69 -6.575 3.359 11.671 1.00 0.00 C ATOM 0 H ALA A 69 -8.674 4.310 10.722 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.205 4.880 13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.654 3.139 12.210 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.350 2.655 11.975 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.400 3.265 10.599 1.00 0.00 H new ATOM 980 N PHE A 70 -5.798 6.012 10.294 1.00 0.00 N ATOM 981 CA PHE A 70 -4.749 6.960 9.822 1.00 0.00 C ATOM 982 C PHE A 70 -4.888 8.289 10.567 1.00 0.00 C ATOM 983 O PHE A 70 -3.911 8.903 10.948 1.00 0.00 O ATOM 984 CB PHE A 70 -4.918 7.199 8.320 1.00 0.00 C ATOM 985 CG PHE A 70 -3.892 8.203 7.851 1.00 0.00 C ATOM 986 CD1 PHE A 70 -2.577 7.795 7.599 1.00 0.00 C ATOM 987 CD2 PHE A 70 -4.255 9.543 7.668 1.00 0.00 C ATOM 988 CE1 PHE A 70 -1.626 8.725 7.164 1.00 0.00 C ATOM 989 CE2 PHE A 70 -3.304 10.473 7.233 1.00 0.00 C ATOM 990 CZ PHE A 70 -1.990 10.064 6.980 1.00 0.00 C ATOM 0 H PHE A 70 -6.368 5.594 9.559 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.763 6.537 10.016 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.800 6.262 7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.923 7.565 8.110 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.296 6.762 7.740 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.269 9.859 7.863 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.611 8.410 6.970 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.584 11.506 7.093 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.257 10.781 6.643 1.00 0.00 H new ATOM 1000 N ALA A 71 -6.094 8.741 10.775 1.00 0.00 N ATOM 1001 CA ALA A 71 -6.292 10.031 11.495 1.00 0.00 C ATOM 1002 C ALA A 71 -5.812 9.892 12.941 1.00 0.00 C ATOM 1003 O ALA A 71 -5.143 10.758 13.469 1.00 0.00 O ATOM 1004 CB ALA A 71 -7.778 10.395 11.485 1.00 0.00 C ATOM 0 H ALA A 71 -6.950 8.273 10.478 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.720 10.814 10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.925 11.338 12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.121 10.497 10.455 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.348 9.610 11.981 1.00 0.00 H new ATOM 1010 N SER A 72 -6.150 8.810 13.585 1.00 0.00 N ATOM 1011 CA SER A 72 -5.716 8.616 14.997 1.00 0.00 C ATOM 1012 C SER A 72 -4.203 8.393 15.044 1.00 0.00 C ATOM 1013 O SER A 72 -3.526 8.856 15.941 1.00 0.00 O ATOM 1014 CB SER A 72 -6.428 7.397 15.587 1.00 0.00 C ATOM 1015 OG SER A 72 -5.965 6.219 14.941 1.00 0.00 O ATOM 0 H SER A 72 -6.708 8.051 13.195 1.00 0.00 H new ATOM 0 HA SER A 72 -5.970 9.503 15.577 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.239 7.335 16.659 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.506 7.495 15.459 1.00 0.00 H new ATOM 0 HG SER A 72 -5.855 6.393 13.983 1.00 0.00 H new ATOM 1021 N SER A 73 -3.666 7.685 14.089 1.00 0.00 N ATOM 1022 CA SER A 73 -2.199 7.432 14.084 1.00 0.00 C ATOM 1023 C SER A 73 -1.456 8.730 13.769 1.00 0.00 C ATOM 1024 O SER A 73 -0.478 9.068 14.406 1.00 0.00 O ATOM 1025 CB SER A 73 -1.867 6.380 13.024 1.00 0.00 C ATOM 1026 OG SER A 73 -2.274 6.850 11.746 1.00 0.00 O ATOM 0 H SER A 73 -4.181 7.271 13.312 1.00 0.00 H new ATOM 0 HA SER A 73 -1.890 7.069 15.064 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.797 6.174 13.024 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.372 5.442 13.256 1.00 0.00 H new ATOM 0 HG SER A 73 -2.982 7.519 11.854 1.00 0.00 H new ATOM 1032 N VAL A 74 -1.912 9.458 12.792 1.00 0.00 N ATOM 1033 CA VAL A 74 -1.236 10.737 12.432 1.00 0.00 C ATOM 1034 C VAL A 74 -1.387 11.735 13.580 1.00 0.00 C ATOM 1035 O VAL A 74 -0.505 12.526 13.849 1.00 0.00 O ATOM 1036 CB VAL A 74 -1.877 11.315 11.170 1.00 0.00 C ATOM 1037 CG1 VAL A 74 -1.894 10.250 10.071 1.00 0.00 C ATOM 1038 CG2 VAL A 74 -3.310 11.752 11.479 1.00 0.00 C ATOM 0 H VAL A 74 -2.726 9.224 12.224 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.178 10.549 12.250 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.300 12.176 10.832 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.351 10.663 9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.873 9.939 9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.470 9.388 10.408 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.767 12.164 10.579 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.888 10.892 11.818 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.298 12.512 12.260 1.00 0.00 H new ATOM 1048 N ALA A 75 -2.501 11.706 14.259 1.00 0.00 N ATOM 1049 CA ALA A 75 -2.713 12.655 15.387 1.00 0.00 C ATOM 1050 C ALA A 75 -1.779 12.295 16.545 1.00 0.00 C ATOM 1051 O ALA A 75 -1.139 13.146 17.124 1.00 0.00 O ATOM 1052 CB ALA A 75 -4.166 12.566 15.859 1.00 0.00 C ATOM 0 H ALA A 75 -3.274 11.065 14.081 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.498 13.670 15.052 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.323 13.260 16.685 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.832 12.824 15.036 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.379 11.550 16.193 1.00 0.00 H new ATOM 1058 N GLN A 76 -1.702 11.040 16.889 1.00 0.00 N ATOM 1059 CA GLN A 76 -0.815 10.628 18.016 1.00 0.00 C ATOM 1060 C GLN A 76 0.632 11.031 17.717 1.00 0.00 C ATOM 1061 O GLN A 76 1.376 11.402 18.603 1.00 0.00 O ATOM 1062 CB GLN A 76 -0.890 9.111 18.190 1.00 0.00 C ATOM 1063 CG GLN A 76 -2.283 8.725 18.694 1.00 0.00 C ATOM 1064 CD GLN A 76 -2.377 7.203 18.810 1.00 0.00 C ATOM 1065 OE1 GLN A 76 -1.562 6.488 18.263 1.00 0.00 O ATOM 1066 NE2 GLN A 76 -3.346 6.673 19.507 1.00 0.00 N ATOM 0 H GLN A 76 -2.214 10.281 16.440 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.144 11.123 18.930 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.684 8.615 17.242 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.130 8.777 18.896 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.472 9.187 19.663 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.045 9.096 18.009 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.031 7.273 19.967 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.418 5.659 19.592 1.00 0.00 H new ATOM 1075 N ILE A 77 1.038 10.952 16.481 1.00 0.00 N ATOM 1076 CA ILE A 77 2.440 11.322 16.134 1.00 0.00 C ATOM 1077 C ILE A 77 2.642 12.828 16.303 1.00 0.00 C ATOM 1078 O ILE A 77 3.537 13.274 16.993 1.00 0.00 O ATOM 1079 CB ILE A 77 2.718 10.945 14.677 1.00 0.00 C ATOM 1080 CG1 ILE A 77 2.549 9.436 14.490 1.00 0.00 C ATOM 1081 CG2 ILE A 77 4.148 11.346 14.310 1.00 0.00 C ATOM 1082 CD1 ILE A 77 2.435 9.120 12.996 1.00 0.00 C ATOM 0 H ILE A 77 0.462 10.648 15.696 1.00 0.00 H new ATOM 0 HA ILE A 77 3.122 10.788 16.796 1.00 0.00 H new ATOM 0 HB ILE A 77 2.014 11.469 14.031 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.399 8.907 14.921 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.659 9.090 15.015 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.346 11.078 13.272 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.268 12.422 14.436 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.850 10.824 14.960 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.314 8.045 12.860 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.571 9.638 12.579 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.338 9.452 12.484 1.00 0.00 H new ATOM 1094 N ALA A 78 1.827 13.610 15.660 1.00 0.00 N ATOM 1095 CA ALA A 78 1.971 15.091 15.752 1.00 0.00 C ATOM 1096 C ALA A 78 1.384 15.607 17.070 1.00 0.00 C ATOM 1097 O ALA A 78 1.940 16.484 17.702 1.00 0.00 O ATOM 1098 CB ALA A 78 1.233 15.734 14.582 1.00 0.00 C ATOM 0 H ALA A 78 1.060 13.287 15.069 1.00 0.00 H new ATOM 0 HA ALA A 78 3.029 15.349 15.717 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.333 16.818 14.641 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.660 15.380 13.644 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.178 15.464 14.625 1.00 0.00 H new ATOM 1104 N ALA A 79 0.266 15.085 17.487 1.00 0.00 N ATOM 1105 CA ALA A 79 -0.348 15.565 18.758 1.00 0.00 C ATOM 1106 C ALA A 79 0.646 15.380 19.906 1.00 0.00 C ATOM 1107 O ALA A 79 0.635 16.114 20.874 1.00 0.00 O ATOM 1108 CB ALA A 79 -1.619 14.763 19.052 1.00 0.00 C ATOM 0 H ALA A 79 -0.249 14.348 17.005 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.601 16.621 18.660 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.065 15.116 19.982 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.329 14.894 18.236 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.368 13.707 19.148 1.00 0.00 H new ATOM 1114 N SER A 80 1.509 14.407 19.804 1.00 0.00 N ATOM 1115 CA SER A 80 2.504 14.180 20.889 1.00 0.00 C ATOM 1116 C SER A 80 3.669 15.157 20.722 1.00 0.00 C ATOM 1117 O SER A 80 4.408 15.422 21.649 1.00 0.00 O ATOM 1118 CB SER A 80 3.026 12.744 20.812 1.00 0.00 C ATOM 1119 OG SER A 80 3.777 12.576 19.619 1.00 0.00 O ATOM 0 H SER A 80 1.568 13.760 19.017 1.00 0.00 H new ATOM 0 HA SER A 80 2.030 14.341 21.857 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.648 12.525 21.680 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.193 12.041 20.832 1.00 0.00 H new ATOM 0 HG SER A 80 3.290 12.973 18.867 1.00 0.00 H new ATOM 1125 N GLN A 81 3.842 15.695 19.545 1.00 0.00 N ATOM 1126 CA GLN A 81 4.962 16.652 19.323 1.00 0.00 C ATOM 1127 C GLN A 81 4.467 18.081 19.540 1.00 0.00 C ATOM 1128 O GLN A 81 3.596 18.563 18.843 1.00 0.00 O ATOM 1129 CB GLN A 81 5.483 16.507 17.894 1.00 0.00 C ATOM 1130 CG GLN A 81 6.090 15.116 17.720 1.00 0.00 C ATOM 1131 CD GLN A 81 7.522 15.111 18.258 1.00 0.00 C ATOM 1132 OE1 GLN A 81 8.312 15.971 17.924 1.00 0.00 O ATOM 1133 NE2 GLN A 81 7.890 14.171 19.084 1.00 0.00 N ATOM 0 H GLN A 81 3.257 15.513 18.729 1.00 0.00 H new ATOM 0 HA GLN A 81 5.765 16.435 20.027 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.671 16.655 17.181 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.231 17.272 17.688 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.489 14.377 18.250 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.085 14.835 16.667 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.226 13.449 19.364 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.842 14.158 19.450 1.00 0.00 H new ATOM 1142 N GLY A 82 5.021 18.762 20.501 1.00 0.00 N ATOM 1143 CA GLY A 82 4.593 20.163 20.769 1.00 0.00 C ATOM 1144 C GLY A 82 3.209 20.161 21.423 1.00 0.00 C ATOM 1145 O GLY A 82 2.202 19.992 20.765 1.00 0.00 O ATOM 0 H GLY A 82 5.755 18.408 21.115 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.314 20.656 21.421 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.566 20.730 19.838 1.00 0.00 H new ATOM 1149 N GLY A 83 3.152 20.348 22.713 1.00 0.00 N ATOM 1150 CA GLY A 83 1.833 20.358 23.407 1.00 0.00 C ATOM 1151 C GLY A 83 0.840 21.204 22.605 1.00 0.00 C ATOM 1152 O GLY A 83 -0.333 20.899 22.532 1.00 0.00 O ATOM 0 H GLY A 83 3.961 20.494 23.316 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.458 19.340 23.512 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.943 20.763 24.413 1.00 0.00 H new ATOM 1156 N ASP A 84 1.302 22.266 22.003 1.00 0.00 N ATOM 1157 CA ASP A 84 0.384 23.130 21.207 1.00 0.00 C ATOM 1158 C ASP A 84 -0.152 22.339 20.012 1.00 0.00 C ATOM 1159 O ASP A 84 0.456 22.297 18.960 1.00 0.00 O ATOM 1160 CB ASP A 84 1.149 24.356 20.703 1.00 0.00 C ATOM 1161 CG ASP A 84 1.189 25.420 21.801 1.00 0.00 C ATOM 1162 OD1 ASP A 84 0.609 25.185 22.848 1.00 0.00 O ATOM 1163 OD2 ASP A 84 1.802 26.451 21.577 1.00 0.00 O ATOM 0 H ASP A 84 2.275 22.573 22.028 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.448 23.451 21.834 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.163 24.074 20.419 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.668 24.757 19.811 1.00 0.00 H new ATOM 1168 N LEU A 85 -1.283 21.710 20.165 1.00 0.00 N ATOM 1169 CA LEU A 85 -1.857 20.920 19.039 1.00 0.00 C ATOM 1170 C LEU A 85 -2.476 21.867 18.008 1.00 0.00 C ATOM 1171 O LEU A 85 -2.871 21.459 16.934 1.00 0.00 O ATOM 1172 CB LEU A 85 -2.938 19.979 19.576 1.00 0.00 C ATOM 1173 CG LEU A 85 -2.341 18.589 19.796 1.00 0.00 C ATOM 1174 CD1 LEU A 85 -1.335 18.641 20.948 1.00 0.00 C ATOM 1175 CD2 LEU A 85 -3.459 17.605 20.141 1.00 0.00 C ATOM 0 H LEU A 85 -1.836 21.708 21.022 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.066 20.338 18.567 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.340 20.366 20.512 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.768 19.923 18.872 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.835 18.263 18.887 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.910 17.650 21.105 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.538 19.343 20.704 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.840 18.967 21.857 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.035 16.613 20.298 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.964 17.932 21.050 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.176 17.567 19.321 1.00 0.00 H new ATOM 1187 N GLY A 86 -2.568 23.129 18.327 1.00 0.00 N ATOM 1188 CA GLY A 86 -3.165 24.099 17.366 1.00 0.00 C ATOM 1189 C GLY A 86 -2.425 24.021 16.028 1.00 0.00 C ATOM 1190 O GLY A 86 -3.030 24.010 14.975 1.00 0.00 O ATOM 0 H GLY A 86 -2.256 23.530 19.211 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.223 23.878 17.221 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.103 25.110 17.769 1.00 0.00 H new ATOM 1194 N VAL A 87 -1.121 23.970 16.059 1.00 0.00 N ATOM 1195 CA VAL A 87 -0.353 23.897 14.783 1.00 0.00 C ATOM 1196 C VAL A 87 -0.553 22.527 14.138 1.00 0.00 C ATOM 1197 O VAL A 87 -0.849 22.428 12.963 1.00 0.00 O ATOM 1198 CB VAL A 87 1.134 24.124 15.065 1.00 0.00 C ATOM 1199 CG1 VAL A 87 1.717 22.903 15.777 1.00 0.00 C ATOM 1200 CG2 VAL A 87 1.874 24.345 13.743 1.00 0.00 C ATOM 0 H VAL A 87 -0.556 23.976 16.908 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.712 24.669 14.102 1.00 0.00 H new ATOM 0 HB VAL A 87 1.251 25.001 15.701 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.776 23.069 15.976 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.191 22.746 16.719 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.600 22.023 15.145 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.933 24.507 13.942 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.754 23.467 13.108 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.462 25.218 13.237 1.00 0.00 H new ATOM 1210 N THR A 88 -0.407 21.466 14.885 1.00 0.00 N ATOM 1211 CA THR A 88 -0.606 20.121 14.283 1.00 0.00 C ATOM 1212 C THR A 88 -1.960 20.102 13.585 1.00 0.00 C ATOM 1213 O THR A 88 -2.126 19.504 12.540 1.00 0.00 O ATOM 1214 CB THR A 88 -0.582 19.048 15.370 1.00 0.00 C ATOM 1215 OG1 THR A 88 0.710 19.001 15.959 1.00 0.00 O ATOM 1216 CG2 THR A 88 -0.910 17.695 14.738 1.00 0.00 C ATOM 0 H THR A 88 -0.161 21.473 15.875 1.00 0.00 H new ATOM 0 HA THR A 88 0.193 19.916 13.571 1.00 0.00 H new ATOM 0 HB THR A 88 -1.318 19.282 16.140 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.776 18.215 16.541 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.895 16.922 15.506 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.900 17.736 14.283 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.169 17.461 13.974 1.00 0.00 H new ATOM 1224 N THR A 89 -2.927 20.770 14.147 1.00 0.00 N ATOM 1225 CA THR A 89 -4.269 20.809 13.508 1.00 0.00 C ATOM 1226 C THR A 89 -4.099 21.325 12.083 1.00 0.00 C ATOM 1227 O THR A 89 -4.581 20.739 11.135 1.00 0.00 O ATOM 1228 CB THR A 89 -5.186 21.750 14.292 1.00 0.00 C ATOM 1229 OG1 THR A 89 -5.186 21.373 15.662 1.00 0.00 O ATOM 1230 CG2 THR A 89 -6.608 21.665 13.738 1.00 0.00 C ATOM 0 H THR A 89 -2.846 21.290 15.021 1.00 0.00 H new ATOM 0 HA THR A 89 -4.714 19.814 13.500 1.00 0.00 H new ATOM 0 HB THR A 89 -4.824 22.773 14.194 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.431 21.799 16.119 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.258 22.337 14.299 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.607 21.955 12.687 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.975 20.643 13.832 1.00 0.00 H new ATOM 1238 N ASN A 90 -3.399 22.416 11.926 1.00 0.00 N ATOM 1239 CA ASN A 90 -3.177 22.969 10.564 1.00 0.00 C ATOM 1240 C ASN A 90 -2.220 22.049 9.805 1.00 0.00 C ATOM 1241 O ASN A 90 -2.359 21.831 8.618 1.00 0.00 O ATOM 1242 CB ASN A 90 -2.567 24.368 10.670 1.00 0.00 C ATOM 1243 CG ASN A 90 -2.664 25.069 9.314 1.00 0.00 C ATOM 1244 OD1 ASN A 90 -3.491 24.720 8.495 1.00 0.00 O ATOM 1245 ND2 ASN A 90 -1.849 26.049 9.040 1.00 0.00 N ATOM 0 H ASN A 90 -2.972 22.947 12.685 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.127 23.033 10.033 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.090 24.948 11.430 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.525 24.300 10.983 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.906 26.523 8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.155 26.342 9.727 1.00 0.00 H new ATOM 1252 N ALA A 91 -1.246 21.506 10.485 1.00 0.00 N ATOM 1253 CA ALA A 91 -0.278 20.598 9.809 1.00 0.00 C ATOM 1254 C ALA A 91 -1.001 19.329 9.356 1.00 0.00 C ATOM 1255 O ALA A 91 -1.032 19.004 8.186 1.00 0.00 O ATOM 1256 CB ALA A 91 0.839 20.227 10.786 1.00 0.00 C ATOM 0 H ALA A 91 -1.080 21.653 11.481 1.00 0.00 H new ATOM 0 HA ALA A 91 0.149 21.102 8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.548 19.562 10.293 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.354 21.131 11.110 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.412 19.723 11.653 1.00 0.00 H new ATOM 1262 N ILE A 92 -1.586 18.610 10.274 1.00 0.00 N ATOM 1263 CA ILE A 92 -2.309 17.364 9.896 1.00 0.00 C ATOM 1264 C ILE A 92 -3.470 17.718 8.965 1.00 0.00 C ATOM 1265 O ILE A 92 -3.649 17.120 7.923 1.00 0.00 O ATOM 1266 CB ILE A 92 -2.856 16.686 11.155 1.00 0.00 C ATOM 1267 CG1 ILE A 92 -1.691 16.239 12.041 1.00 0.00 C ATOM 1268 CG2 ILE A 92 -3.691 15.467 10.758 1.00 0.00 C ATOM 1269 CD1 ILE A 92 -2.236 15.494 13.261 1.00 0.00 C ATOM 0 H ILE A 92 -1.594 18.832 11.270 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.624 16.685 9.388 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.481 17.391 11.704 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.018 15.593 11.477 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.109 17.104 12.359 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.080 14.985 11.655 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.521 15.785 10.127 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.067 14.762 10.209 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.407 15.175 13.893 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.891 16.155 13.828 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.799 14.620 12.932 1.00 0.00 H new ATOM 1281 N ALA A 93 -4.260 18.688 9.335 1.00 0.00 N ATOM 1282 CA ALA A 93 -5.411 19.084 8.474 1.00 0.00 C ATOM 1283 C ALA A 93 -4.899 19.508 7.095 1.00 0.00 C ATOM 1284 O ALA A 93 -5.372 19.040 6.078 1.00 0.00 O ATOM 1285 CB ALA A 93 -6.153 20.256 9.119 1.00 0.00 C ATOM 0 H ALA A 93 -4.159 19.224 10.197 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.088 18.237 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.994 20.545 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.521 19.958 10.101 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.474 21.101 9.227 1.00 0.00 H new ATOM 1291 N ASP A 94 -3.942 20.392 7.053 1.00 0.00 N ATOM 1292 CA ASP A 94 -3.407 20.848 5.739 1.00 0.00 C ATOM 1293 C ASP A 94 -2.945 19.635 4.929 1.00 0.00 C ATOM 1294 O ASP A 94 -3.231 19.518 3.754 1.00 0.00 O ATOM 1295 CB ASP A 94 -2.224 21.790 5.967 1.00 0.00 C ATOM 1296 CG ASP A 94 -2.739 23.149 6.450 1.00 0.00 C ATOM 1297 OD1 ASP A 94 -3.946 23.308 6.529 1.00 0.00 O ATOM 1298 OD2 ASP A 94 -1.918 24.005 6.732 1.00 0.00 O ATOM 0 H ASP A 94 -3.507 20.819 7.871 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.189 21.375 5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.543 21.364 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.658 21.911 5.043 1.00 0.00 H new ATOM 1303 N ALA A 95 -2.234 18.731 5.545 1.00 0.00 N ATOM 1304 CA ALA A 95 -1.758 17.529 4.808 1.00 0.00 C ATOM 1305 C ALA A 95 -2.963 16.763 4.259 1.00 0.00 C ATOM 1306 O ALA A 95 -2.969 16.325 3.125 1.00 0.00 O ATOM 1307 CB ALA A 95 -0.970 16.626 5.758 1.00 0.00 C ATOM 0 H ALA A 95 -1.963 18.774 6.527 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.114 17.837 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.622 15.746 5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.113 17.172 6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.613 16.315 6.582 1.00 0.00 H new ATOM 1313 N LEU A 96 -3.983 16.597 5.055 1.00 0.00 N ATOM 1314 CA LEU A 96 -5.190 15.860 4.582 1.00 0.00 C ATOM 1315 C LEU A 96 -5.924 16.703 3.540 1.00 0.00 C ATOM 1316 O LEU A 96 -6.521 16.186 2.616 1.00 0.00 O ATOM 1317 CB LEU A 96 -6.125 15.596 5.765 1.00 0.00 C ATOM 1318 CG LEU A 96 -5.323 15.037 6.940 1.00 0.00 C ATOM 1319 CD1 LEU A 96 -5.955 15.504 8.254 1.00 0.00 C ATOM 1320 CD2 LEU A 96 -5.336 13.511 6.885 1.00 0.00 C ATOM 0 H LEU A 96 -4.033 16.940 6.014 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.884 14.912 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.624 16.519 6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.904 14.891 5.475 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.295 15.394 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.385 15.106 9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.948 16.593 8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.983 15.145 8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.764 13.112 7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.364 13.154 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.889 13.177 5.949 1.00 0.00 H new ATOM 1332 N THR A 97 -5.893 17.998 3.687 1.00 0.00 N ATOM 1333 CA THR A 97 -6.595 18.878 2.714 1.00 0.00 C ATOM 1334 C THR A 97 -5.939 18.757 1.337 1.00 0.00 C ATOM 1335 O THR A 97 -6.605 18.572 0.337 1.00 0.00 O ATOM 1336 CB THR A 97 -6.514 20.329 3.194 1.00 0.00 C ATOM 1337 OG1 THR A 97 -7.111 20.433 4.479 1.00 0.00 O ATOM 1338 CG2 THR A 97 -7.252 21.236 2.210 1.00 0.00 C ATOM 0 H THR A 97 -5.410 18.486 4.442 1.00 0.00 H new ATOM 0 HA THR A 97 -7.639 18.574 2.640 1.00 0.00 H new ATOM 0 HB THR A 97 -5.470 20.636 3.252 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.487 20.101 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.193 22.269 2.553 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.793 21.154 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.297 20.933 2.149 1.00 0.00 H new ATOM 1346 N SER A 98 -4.640 18.865 1.271 1.00 0.00 N ATOM 1347 CA SER A 98 -3.950 18.761 -0.046 1.00 0.00 C ATOM 1348 C SER A 98 -4.097 17.341 -0.598 1.00 0.00 C ATOM 1349 O SER A 98 -4.295 17.141 -1.780 1.00 0.00 O ATOM 1350 CB SER A 98 -2.465 19.085 0.129 1.00 0.00 C ATOM 1351 OG SER A 98 -1.850 18.078 0.919 1.00 0.00 O ATOM 0 H SER A 98 -4.027 19.021 2.071 1.00 0.00 H new ATOM 0 HA SER A 98 -4.400 19.468 -0.743 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.978 19.146 -0.844 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.348 20.058 0.606 1.00 0.00 H new ATOM 0 HG SER A 98 -1.039 17.759 0.470 1.00 0.00 H new ATOM 1357 N ALA A 99 -4.000 16.351 0.247 1.00 0.00 N ATOM 1358 CA ALA A 99 -4.129 14.945 -0.230 1.00 0.00 C ATOM 1359 C ALA A 99 -5.512 14.739 -0.853 1.00 0.00 C ATOM 1360 O ALA A 99 -5.656 14.073 -1.859 1.00 0.00 O ATOM 1361 CB ALA A 99 -3.953 13.987 0.949 1.00 0.00 C ATOM 0 H ALA A 99 -3.837 16.456 1.248 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.362 14.746 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.047 12.959 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.967 14.131 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.719 14.187 1.698 1.00 0.00 H new ATOM 1367 N PHE A 100 -6.530 15.302 -0.262 1.00 0.00 N ATOM 1368 CA PHE A 100 -7.901 15.134 -0.822 1.00 0.00 C ATOM 1369 C PHE A 100 -7.903 15.530 -2.299 1.00 0.00 C ATOM 1370 O PHE A 100 -8.276 14.760 -3.161 1.00 0.00 O ATOM 1371 CB PHE A 100 -8.873 16.036 -0.061 1.00 0.00 C ATOM 1372 CG PHE A 100 -9.635 15.219 0.952 1.00 0.00 C ATOM 1373 CD1 PHE A 100 -10.539 14.240 0.524 1.00 0.00 C ATOM 1374 CD2 PHE A 100 -9.441 15.445 2.318 1.00 0.00 C ATOM 1375 CE1 PHE A 100 -11.251 13.487 1.466 1.00 0.00 C ATOM 1376 CE2 PHE A 100 -10.152 14.692 3.259 1.00 0.00 C ATOM 1377 CZ PHE A 100 -11.056 13.713 2.833 1.00 0.00 C ATOM 0 H PHE A 100 -6.472 15.870 0.583 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.207 14.093 -0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.327 16.836 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -9.566 16.509 -0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.687 14.065 -0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.743 16.200 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.950 12.732 1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -10.003 14.867 4.314 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.604 13.131 3.560 1.00 0.00 H new ATOM 1387 N TYR A 101 -7.490 16.731 -2.593 1.00 0.00 N ATOM 1388 CA TYR A 101 -7.466 17.190 -4.009 1.00 0.00 C ATOM 1389 C TYR A 101 -6.336 16.486 -4.758 1.00 0.00 C ATOM 1390 O TYR A 101 -6.432 16.214 -5.938 1.00 0.00 O ATOM 1391 CB TYR A 101 -7.251 18.705 -4.043 1.00 0.00 C ATOM 1392 CG TYR A 101 -7.974 19.333 -2.873 1.00 0.00 C ATOM 1393 CD1 TYR A 101 -9.330 19.055 -2.660 1.00 0.00 C ATOM 1394 CD2 TYR A 101 -7.289 20.188 -2.001 1.00 0.00 C ATOM 1395 CE1 TYR A 101 -10.002 19.632 -1.575 1.00 0.00 C ATOM 1396 CE2 TYR A 101 -7.961 20.765 -0.916 1.00 0.00 C ATOM 1397 CZ TYR A 101 -9.317 20.487 -0.704 1.00 0.00 C ATOM 1398 OH TYR A 101 -9.978 21.056 0.367 1.00 0.00 O ATOM 0 H TYR A 101 -7.167 17.417 -1.911 1.00 0.00 H new ATOM 0 HA TYR A 101 -8.414 16.948 -4.490 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.187 18.935 -3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -7.624 19.117 -4.981 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.858 18.395 -3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.243 20.402 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.048 19.417 -1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.433 21.424 -0.243 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.605 20.406 0.747 1.00 0.00 H new ATOM 1408 N GLN A 102 -5.265 16.188 -4.081 1.00 0.00 N ATOM 1409 CA GLN A 102 -4.127 15.502 -4.747 1.00 0.00 C ATOM 1410 C GLN A 102 -4.512 14.057 -5.077 1.00 0.00 C ATOM 1411 O GLN A 102 -3.880 13.412 -5.889 1.00 0.00 O ATOM 1412 CB GLN A 102 -2.917 15.500 -3.813 1.00 0.00 C ATOM 1413 CG GLN A 102 -2.344 16.916 -3.716 1.00 0.00 C ATOM 1414 CD GLN A 102 -1.728 17.308 -5.061 1.00 0.00 C ATOM 1415 OE1 GLN A 102 -0.915 16.587 -5.603 1.00 0.00 O ATOM 1416 NE2 GLN A 102 -2.085 18.429 -5.625 1.00 0.00 N ATOM 0 H GLN A 102 -5.129 16.391 -3.091 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.881 16.030 -5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.208 15.146 -2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.157 14.814 -4.187 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.130 17.621 -3.444 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -1.589 16.962 -2.931 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.768 19.034 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.681 18.700 -6.522 1.00 0.00 H new ATOM 1425 N THR A 103 -5.527 13.530 -4.444 1.00 0.00 N ATOM 1426 CA THR A 103 -5.911 12.117 -4.728 1.00 0.00 C ATOM 1427 C THR A 103 -7.207 12.048 -5.545 1.00 0.00 C ATOM 1428 O THR A 103 -7.225 11.513 -6.636 1.00 0.00 O ATOM 1429 CB THR A 103 -6.106 11.374 -3.404 1.00 0.00 C ATOM 1430 OG1 THR A 103 -7.188 11.955 -2.691 1.00 0.00 O ATOM 1431 CG2 THR A 103 -4.828 11.472 -2.567 1.00 0.00 C ATOM 0 H THR A 103 -6.100 14.010 -3.751 1.00 0.00 H new ATOM 0 HA THR A 103 -5.115 11.653 -5.310 1.00 0.00 H new ATOM 0 HB THR A 103 -6.325 10.325 -3.605 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.890 12.786 -2.265 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.969 10.942 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.999 11.024 -3.115 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.605 12.520 -2.365 1.00 0.00 H new ATOM 1439 N THR A 104 -8.297 12.561 -5.036 1.00 0.00 N ATOM 1440 CA THR A 104 -9.573 12.485 -5.811 1.00 0.00 C ATOM 1441 C THR A 104 -10.220 13.866 -5.947 1.00 0.00 C ATOM 1442 O THR A 104 -10.708 14.227 -6.999 1.00 0.00 O ATOM 1443 CB THR A 104 -10.547 11.540 -5.100 1.00 0.00 C ATOM 1444 OG1 THR A 104 -11.881 11.928 -5.399 1.00 0.00 O ATOM 1445 CG2 THR A 104 -10.322 11.607 -3.589 1.00 0.00 C ATOM 0 H THR A 104 -8.360 13.024 -4.129 1.00 0.00 H new ATOM 0 HA THR A 104 -9.344 12.110 -6.809 1.00 0.00 H new ATOM 0 HB THR A 104 -10.377 10.519 -5.443 1.00 0.00 H new ATOM 0 HG1 THR A 104 -12.457 11.737 -4.630 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.017 10.933 -3.087 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.299 11.309 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.490 12.626 -3.241 1.00 0.00 H new ATOM 1453 N GLY A 105 -10.241 14.639 -4.898 1.00 0.00 N ATOM 1454 CA GLY A 105 -10.872 15.986 -4.988 1.00 0.00 C ATOM 1455 C GLY A 105 -12.141 16.019 -4.135 1.00 0.00 C ATOM 1456 O GLY A 105 -13.177 16.488 -4.563 1.00 0.00 O ATOM 0 H GLY A 105 -9.851 14.399 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.173 16.749 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.114 16.216 -6.026 1.00 0.00 H new ATOM 1460 N VAL A 106 -12.068 15.532 -2.927 1.00 0.00 N ATOM 1461 CA VAL A 106 -13.268 15.546 -2.046 1.00 0.00 C ATOM 1462 C VAL A 106 -13.125 16.678 -1.029 1.00 0.00 C ATOM 1463 O VAL A 106 -12.089 17.306 -0.931 1.00 0.00 O ATOM 1464 CB VAL A 106 -13.382 14.209 -1.310 1.00 0.00 C ATOM 1465 CG1 VAL A 106 -14.771 14.095 -0.678 1.00 0.00 C ATOM 1466 CG2 VAL A 106 -13.177 13.063 -2.302 1.00 0.00 C ATOM 0 H VAL A 106 -11.229 15.125 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.164 15.701 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 106 -12.622 14.155 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -14.855 13.143 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -14.918 14.913 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -15.531 14.147 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.258 12.110 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -13.938 13.115 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.189 13.146 -2.754 1.00 0.00 H new ATOM 1476 N VAL A 107 -14.152 16.950 -0.274 1.00 0.00 N ATOM 1477 CA VAL A 107 -14.058 18.048 0.728 1.00 0.00 C ATOM 1478 C VAL A 107 -13.192 17.596 1.905 1.00 0.00 C ATOM 1479 O VAL A 107 -13.494 16.633 2.579 1.00 0.00 O ATOM 1480 CB VAL A 107 -15.458 18.384 1.232 1.00 0.00 C ATOM 1481 CG1 VAL A 107 -16.253 19.070 0.119 1.00 0.00 C ATOM 1482 CG2 VAL A 107 -16.163 17.090 1.643 1.00 0.00 C ATOM 0 H VAL A 107 -15.048 16.463 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.609 18.927 0.266 1.00 0.00 H new ATOM 0 HB VAL A 107 -15.390 19.055 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.253 19.309 0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.745 19.988 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.328 18.402 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -17.165 17.321 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.232 16.424 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -15.595 16.602 2.435 1.00 0.00 H new ATOM 1492 N ASN A 108 -12.119 18.292 2.157 1.00 0.00 N ATOM 1493 CA ASN A 108 -11.227 17.917 3.290 1.00 0.00 C ATOM 1494 C ASN A 108 -11.897 18.256 4.624 1.00 0.00 C ATOM 1495 O ASN A 108 -11.643 17.633 5.635 1.00 0.00 O ATOM 1496 CB ASN A 108 -9.913 18.689 3.169 1.00 0.00 C ATOM 1497 CG ASN A 108 -10.199 20.190 3.228 1.00 0.00 C ATOM 1498 OD1 ASN A 108 -11.136 20.665 2.617 1.00 0.00 O ATOM 1499 ND2 ASN A 108 -9.427 20.963 3.941 1.00 0.00 N ATOM 0 H ASN A 108 -11.820 19.109 1.624 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.033 16.845 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -9.236 18.405 3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -9.416 18.439 2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -9.610 21.965 3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -8.640 20.565 4.454 1.00 0.00 H new ATOM 1506 N SER A 109 -12.734 19.255 4.634 1.00 0.00 N ATOM 1507 CA SER A 109 -13.408 19.657 5.903 1.00 0.00 C ATOM 1508 C SER A 109 -14.214 18.489 6.475 1.00 0.00 C ATOM 1509 O SER A 109 -14.200 18.241 7.664 1.00 0.00 O ATOM 1510 CB SER A 109 -14.349 20.832 5.627 1.00 0.00 C ATOM 1511 OG SER A 109 -15.417 20.398 4.798 1.00 0.00 O ATOM 0 H SER A 109 -12.982 19.813 3.817 1.00 0.00 H new ATOM 0 HA SER A 109 -12.648 19.949 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.740 21.227 6.565 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.804 21.642 5.142 1.00 0.00 H new ATOM 0 HG SER A 109 -16.021 21.150 4.622 1.00 0.00 H new ATOM 1517 N ARG A 110 -14.928 17.778 5.648 1.00 0.00 N ATOM 1518 CA ARG A 110 -15.742 16.641 6.163 1.00 0.00 C ATOM 1519 C ARG A 110 -14.844 15.646 6.902 1.00 0.00 C ATOM 1520 O ARG A 110 -15.092 15.298 8.039 1.00 0.00 O ATOM 1521 CB ARG A 110 -16.422 15.936 4.988 1.00 0.00 C ATOM 1522 CG ARG A 110 -17.307 14.803 5.512 1.00 0.00 C ATOM 1523 CD ARG A 110 -17.983 14.099 4.334 1.00 0.00 C ATOM 1524 NE ARG A 110 -16.974 13.291 3.593 1.00 0.00 N ATOM 1525 CZ ARG A 110 -17.041 11.987 3.613 1.00 0.00 C ATOM 1526 NH1 ARG A 110 -17.203 11.360 4.744 1.00 0.00 N ATOM 1527 NH2 ARG A 110 -16.946 11.312 2.500 1.00 0.00 N ATOM 0 H ARG A 110 -14.984 17.934 4.641 1.00 0.00 H new ATOM 0 HA ARG A 110 -16.495 17.022 6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -17.023 16.648 4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -15.671 15.538 4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -16.707 14.091 6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -18.060 15.200 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -18.787 13.456 4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -18.436 14.834 3.669 1.00 0.00 H new ATOM 0 HE ARG A 110 -16.232 13.756 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -17.277 11.888 5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -17.255 10.341 4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -16.819 11.803 1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -16.998 10.293 2.515 1.00 0.00 H new ATOM 1541 N PHE A 111 -13.802 15.183 6.268 1.00 0.00 N ATOM 1542 CA PHE A 111 -12.893 14.208 6.939 1.00 0.00 C ATOM 1543 C PHE A 111 -12.019 14.931 7.966 1.00 0.00 C ATOM 1544 O PHE A 111 -11.956 14.554 9.119 1.00 0.00 O ATOM 1545 CB PHE A 111 -12.002 13.542 5.890 1.00 0.00 C ATOM 1546 CG PHE A 111 -11.217 12.420 6.530 1.00 0.00 C ATOM 1547 CD1 PHE A 111 -11.869 11.240 6.913 1.00 0.00 C ATOM 1548 CD2 PHE A 111 -9.839 12.555 6.733 1.00 0.00 C ATOM 1549 CE1 PHE A 111 -11.141 10.200 7.502 1.00 0.00 C ATOM 1550 CE2 PHE A 111 -9.112 11.514 7.320 1.00 0.00 C ATOM 1551 CZ PHE A 111 -9.763 10.336 7.705 1.00 0.00 C ATOM 0 H PHE A 111 -13.540 15.437 5.315 1.00 0.00 H new ATOM 0 HA PHE A 111 -13.490 13.451 7.448 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -12.612 13.154 5.074 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -11.321 14.275 5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.932 11.133 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.336 13.464 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -11.643 9.292 7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -8.049 11.619 7.476 1.00 0.00 H new ATOM 0 HZ PHE A 111 -9.202 9.532 8.159 1.00 0.00 H new ATOM 1561 N ILE A 112 -11.335 15.961 7.551 1.00 0.00 N ATOM 1562 CA ILE A 112 -10.452 16.705 8.495 1.00 0.00 C ATOM 1563 C ILE A 112 -11.261 17.189 9.699 1.00 0.00 C ATOM 1564 O ILE A 112 -10.765 17.246 10.807 1.00 0.00 O ATOM 1565 CB ILE A 112 -9.840 17.907 7.774 1.00 0.00 C ATOM 1566 CG1 ILE A 112 -8.872 17.419 6.695 1.00 0.00 C ATOM 1567 CG2 ILE A 112 -9.085 18.777 8.780 1.00 0.00 C ATOM 1568 CD1 ILE A 112 -8.184 18.621 6.045 1.00 0.00 C ATOM 0 H ILE A 112 -11.349 16.321 6.597 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.660 16.042 8.843 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.634 18.493 7.311 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.128 16.754 7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.410 16.844 5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.649 19.633 8.265 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.775 19.128 9.548 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.292 18.191 9.245 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -7.494 18.273 5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -8.935 19.269 5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -7.632 19.178 6.802 1.00 0.00 H new ATOM 1580 N SER A 113 -12.502 17.541 9.498 1.00 0.00 N ATOM 1581 CA SER A 113 -13.330 18.022 10.640 1.00 0.00 C ATOM 1582 C SER A 113 -13.336 16.966 11.747 1.00 0.00 C ATOM 1583 O SER A 113 -13.209 17.278 12.915 1.00 0.00 O ATOM 1584 CB SER A 113 -14.764 18.269 10.166 1.00 0.00 C ATOM 1585 OG SER A 113 -15.607 18.469 11.291 1.00 0.00 O ATOM 0 H SER A 113 -12.977 17.516 8.596 1.00 0.00 H new ATOM 0 HA SER A 113 -12.910 18.951 11.025 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.797 19.142 9.514 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.116 17.420 9.581 1.00 0.00 H new ATOM 0 HG SER A 113 -16.525 18.629 10.988 1.00 0.00 H new ATOM 1591 N GLU A 114 -13.482 15.719 11.392 1.00 0.00 N ATOM 1592 CA GLU A 114 -13.496 14.649 12.427 1.00 0.00 C ATOM 1593 C GLU A 114 -12.090 14.484 13.008 1.00 0.00 C ATOM 1594 O GLU A 114 -11.918 14.238 14.184 1.00 0.00 O ATOM 1595 CB GLU A 114 -13.948 13.333 11.793 1.00 0.00 C ATOM 1596 CG GLU A 114 -15.371 13.490 11.254 1.00 0.00 C ATOM 1597 CD GLU A 114 -15.835 12.168 10.642 1.00 0.00 C ATOM 1598 OE1 GLU A 114 -15.006 11.286 10.491 1.00 0.00 O ATOM 1599 OE2 GLU A 114 -17.011 12.060 10.336 1.00 0.00 O ATOM 0 H GLU A 114 -13.592 15.396 10.431 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.187 14.922 13.225 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.271 13.054 10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.913 12.531 12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -16.045 13.787 12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.402 14.280 10.504 1.00 0.00 H new ATOM 1606 N ILE A 115 -11.081 14.621 12.190 1.00 0.00 N ATOM 1607 CA ILE A 115 -9.687 14.476 12.696 1.00 0.00 C ATOM 1608 C ILE A 115 -9.329 15.696 13.546 1.00 0.00 C ATOM 1609 O ILE A 115 -8.719 15.582 14.591 1.00 0.00 O ATOM 1610 CB ILE A 115 -8.721 14.383 11.514 1.00 0.00 C ATOM 1611 CG1 ILE A 115 -9.133 13.223 10.606 1.00 0.00 C ATOM 1612 CG2 ILE A 115 -7.304 14.146 12.036 1.00 0.00 C ATOM 1613 CD1 ILE A 115 -8.147 13.114 9.442 1.00 0.00 C ATOM 0 H ILE A 115 -11.162 14.827 11.194 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.611 13.572 13.300 1.00 0.00 H new ATOM 0 HB ILE A 115 -8.749 15.313 10.946 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -9.149 12.292 11.172 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -10.143 13.383 10.228 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -6.613 14.079 11.196 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -7.011 14.974 12.682 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -7.276 13.216 12.603 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -8.439 12.288 8.794 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -8.154 14.043 8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -7.144 12.934 9.830 1.00 0.00 H new ATOM 1625 N ARG A 116 -9.706 16.864 13.104 1.00 0.00 N ATOM 1626 CA ARG A 116 -9.391 18.096 13.882 1.00 0.00 C ATOM 1627 C ARG A 116 -9.908 17.937 15.315 1.00 0.00 C ATOM 1628 O ARG A 116 -9.254 18.314 16.266 1.00 0.00 O ATOM 1629 CB ARG A 116 -10.068 19.298 13.211 1.00 0.00 C ATOM 1630 CG ARG A 116 -10.150 20.469 14.195 1.00 0.00 C ATOM 1631 CD ARG A 116 -10.371 21.771 13.423 1.00 0.00 C ATOM 1632 NE ARG A 116 -11.826 21.945 13.153 1.00 0.00 N ATOM 1633 CZ ARG A 116 -12.675 21.987 14.144 1.00 0.00 C ATOM 1634 NH1 ARG A 116 -13.175 20.879 14.621 1.00 0.00 N ATOM 1635 NH2 ARG A 116 -13.023 23.133 14.658 1.00 0.00 N ATOM 0 H ARG A 116 -10.219 17.019 12.236 1.00 0.00 H new ATOM 0 HA ARG A 116 -8.313 18.256 13.908 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -9.506 19.595 12.325 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -11.068 19.023 12.876 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -10.966 20.309 14.900 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -9.232 20.532 14.779 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -9.993 22.616 13.998 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -9.816 21.749 12.485 1.00 0.00 H new ATOM 0 HE ARG A 116 -12.159 22.031 12.193 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -12.902 19.982 14.219 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -13.838 20.911 15.395 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -12.632 23.999 14.286 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -13.686 23.164 15.432 1.00 0.00 H new ATOM 1649 N SER A 117 -11.079 17.383 15.475 1.00 0.00 N ATOM 1650 CA SER A 117 -11.636 17.203 16.846 1.00 0.00 C ATOM 1651 C SER A 117 -10.886 16.075 17.559 1.00 0.00 C ATOM 1652 O SER A 117 -10.694 16.105 18.759 1.00 0.00 O ATOM 1653 CB SER A 117 -13.121 16.849 16.752 1.00 0.00 C ATOM 1654 OG SER A 117 -13.687 16.827 18.054 1.00 0.00 O ATOM 0 H SER A 117 -11.673 17.048 14.717 1.00 0.00 H new ATOM 0 HA SER A 117 -11.519 18.129 17.409 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.641 17.578 16.130 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.244 15.877 16.274 1.00 0.00 H new ATOM 0 HG SER A 117 -14.639 16.602 17.993 1.00 0.00 H new ATOM 1660 N LEU A 118 -10.466 15.077 16.830 1.00 0.00 N ATOM 1661 CA LEU A 118 -9.735 13.943 17.464 1.00 0.00 C ATOM 1662 C LEU A 118 -8.353 14.410 17.930 1.00 0.00 C ATOM 1663 O LEU A 118 -7.914 14.091 19.017 1.00 0.00 O ATOM 1664 CB LEU A 118 -9.574 12.812 16.445 1.00 0.00 C ATOM 1665 CG LEU A 118 -10.937 12.171 16.178 1.00 0.00 C ATOM 1666 CD1 LEU A 118 -10.936 11.524 14.791 1.00 0.00 C ATOM 1667 CD2 LEU A 118 -11.215 11.103 17.238 1.00 0.00 C ATOM 0 H LEU A 118 -10.598 14.998 15.822 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.301 13.586 18.324 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.155 13.201 15.517 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.876 12.065 16.822 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.712 12.937 16.221 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.908 11.068 14.602 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.739 12.284 14.035 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -10.161 10.759 14.747 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.186 10.646 17.048 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.440 10.338 17.196 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.218 11.563 18.226 1.00 0.00 H new ATOM 1679 N ILE A 119 -7.659 15.160 17.116 1.00 0.00 N ATOM 1680 CA ILE A 119 -6.305 15.639 17.516 1.00 0.00 C ATOM 1681 C ILE A 119 -6.400 16.438 18.818 1.00 0.00 C ATOM 1682 O ILE A 119 -5.635 16.235 19.739 1.00 0.00 O ATOM 1683 CB ILE A 119 -5.732 16.531 16.411 1.00 0.00 C ATOM 1684 CG1 ILE A 119 -5.692 15.753 15.094 1.00 0.00 C ATOM 1685 CG2 ILE A 119 -4.314 16.966 16.789 1.00 0.00 C ATOM 1686 CD1 ILE A 119 -5.349 16.706 13.949 1.00 0.00 C ATOM 0 H ILE A 119 -7.971 15.461 16.193 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.651 14.780 17.669 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.363 17.412 16.293 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -4.951 14.956 15.152 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -6.656 15.279 14.910 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.906 17.601 16.002 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -4.342 17.522 17.726 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -3.683 16.085 16.908 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -5.320 16.152 13.011 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.107 17.487 13.886 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.375 17.159 14.132 1.00 0.00 H new ATOM 1698 N GLY A 120 -7.334 17.346 18.903 1.00 0.00 N ATOM 1699 CA GLY A 120 -7.473 18.158 20.145 1.00 0.00 C ATOM 1700 C GLY A 120 -7.748 17.234 21.334 1.00 0.00 C ATOM 1701 O GLY A 120 -7.426 17.548 22.463 1.00 0.00 O ATOM 0 H GLY A 120 -8.006 17.560 18.166 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.563 18.732 20.320 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -8.286 18.876 20.033 1.00 0.00 H new ATOM 1705 N MET A 121 -8.340 16.097 21.091 1.00 0.00 N ATOM 1706 CA MET A 121 -8.637 15.157 22.208 1.00 0.00 C ATOM 1707 C MET A 121 -7.328 14.604 22.776 1.00 0.00 C ATOM 1708 O MET A 121 -7.159 14.490 23.973 1.00 0.00 O ATOM 1709 CB MET A 121 -9.493 14.001 21.689 1.00 0.00 C ATOM 1710 CG MET A 121 -9.958 13.143 22.867 1.00 0.00 C ATOM 1711 SD MET A 121 -10.807 11.671 22.244 1.00 0.00 S ATOM 1712 CE MET A 121 -12.231 12.521 21.520 1.00 0.00 C ATOM 0 H MET A 121 -8.631 15.778 20.167 1.00 0.00 H new ATOM 0 HA MET A 121 -9.177 15.688 22.992 1.00 0.00 H new ATOM 0 HB2 MET A 121 -10.354 14.388 21.145 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.919 13.395 20.988 1.00 0.00 H new ATOM 0 HG2 MET A 121 -9.104 12.852 23.478 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.627 13.718 23.508 1.00 0.00 H new ATOM 0 HE1 MET A 121 -13.079 11.837 21.475 1.00 0.00 H new ATOM 0 HE2 MET A 121 -12.492 13.382 22.135 1.00 0.00 H new ATOM 0 HE3 MET A 121 -11.981 12.856 20.513 1.00 0.00 H new ATOM 1722 N PHE A 122 -6.401 14.257 21.925 1.00 0.00 N ATOM 1723 CA PHE A 122 -5.107 13.709 22.419 1.00 0.00 C ATOM 1724 C PHE A 122 -4.424 14.742 23.318 1.00 0.00 C ATOM 1725 O PHE A 122 -3.727 14.401 24.253 1.00 0.00 O ATOM 1726 CB PHE A 122 -4.202 13.387 21.228 1.00 0.00 C ATOM 1727 CG PHE A 122 -4.819 12.271 20.419 1.00 0.00 C ATOM 1728 CD1 PHE A 122 -4.548 10.937 20.745 1.00 0.00 C ATOM 1729 CD2 PHE A 122 -5.662 12.571 19.342 1.00 0.00 C ATOM 1730 CE1 PHE A 122 -5.122 9.903 19.996 1.00 0.00 C ATOM 1731 CE2 PHE A 122 -6.236 11.536 18.593 1.00 0.00 C ATOM 1732 CZ PHE A 122 -5.965 10.202 18.920 1.00 0.00 C ATOM 0 H PHE A 122 -6.484 14.329 20.911 1.00 0.00 H new ATOM 0 HA PHE A 122 -5.292 12.799 22.990 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.071 14.273 20.606 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.212 13.094 21.578 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.896 10.705 21.574 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.870 13.600 19.089 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -4.914 8.874 20.249 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.888 11.767 17.763 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.407 9.404 18.342 1.00 0.00 H new ATOM 1742 N ALA A 123 -4.618 16.003 23.044 1.00 0.00 N ATOM 1743 CA ALA A 123 -3.980 17.055 23.886 1.00 0.00 C ATOM 1744 C ALA A 123 -4.455 16.911 25.332 1.00 0.00 C ATOM 1745 O ALA A 123 -3.712 17.133 26.267 1.00 0.00 O ATOM 1746 CB ALA A 123 -4.369 18.437 23.357 1.00 0.00 C ATOM 0 H ALA A 123 -5.190 16.350 22.274 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.897 16.942 23.847 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -3.903 19.207 23.972 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -4.029 18.541 22.327 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -5.453 18.549 23.395 1.00 0.00 H new