USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 740 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 90 HIS :FLIP no HE2:sc= -1.12 F(o=-1.7,f=-1.1) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 ASN : amide:sc= -3.89! C(o=-3.9!,f=-5.9!) USER MOD Set 2.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 74 LYS NZ :NH3+ -112:sc= 0.551 (180deg=0) USER MOD Set 3.2: A 78 GLN : amide:sc= -0.206 K(o=0.34,f=-3.4) USER MOD Set 4.1: A 67 SER OG : rot -173:sc= 1.24 USER MOD Set 4.2: A 86 ASN : amide:sc= 0.218 K(o=1.5,f=-4.5!) USER MOD Set 5.1: A 60 ASN : amide:sc= -0.472 K(o=-0.57,f=-1.2!) USER MOD Set 5.2: A 62 GLN :FLIP amide:sc= -0.0947 F(o=-1.2,f=-0.57) USER MOD Set 6.1: A 42 ASN : amide:sc= -0.16 K(o=-0.13,f=-3.8!) USER MOD Set 6.2: A 57 THR OG1 : rot -160:sc= 0.0287 USER MOD Set 7.1: A 37 ASN : amide:sc= -4.45! C(o=-4.1!,f=-8.4!) USER MOD Set 7.2: A 53 ASN : amide:sc= 0.349 K(o=-4.1,f=-11!) USER MOD Set 8.1: A 21 THR OG1 : rot -55:sc= 0.221 USER MOD Set 8.2: A 31 THR OG1 : rot 180:sc= 0.212 USER MOD Set 9.1: A 19 THR OG1 : rot 180:sc= 0.889 USER MOD Set 9.2: A 33 SER OG : rot -108:sc= 1.03 USER MOD Set10.1: A 11 SER OG : rot 180:sc= 0.629 USER MOD Set10.2: A 20 SER OG : rot 124:sc= 0.69 USER MOD Set11.1: A 7 THR OG1 : rot -160:sc= 0.105 USER MOD Set11.2: A 93 ASN : amide:sc= -0.658 K(o=-0.55,f=-5.6!) USER MOD Set12.1: A 3 LYS NZ :NH3+ -167:sc= -3.25 (180deg=-2.49!) USER MOD Set12.2: A 6 GLN :FLIP amide:sc= -3.05 F(o=-12!,f=-6.3) USER MOD Single : A 1 LEU N :NH3+ -158:sc= -0.0845 (180deg=-0.656) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.864 K(o=-0.86,f=-3!) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 16 SER OG : rot 106:sc= 0.303 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0101 F(o=-1.8!,f=-0.01) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -100:sc=0.000504 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.2) USER MOD Single : A 52 SER OG : rot 34:sc= 0.638 USER MOD Single : A 61 THR OG1 : rot 150:sc= 1.28 USER MOD Single : A 66 SER OG : rot 180:sc= -0.128 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 60:sc= -0.0443 USER MOD Single : A 84 LYS NZ :NH3+ -149:sc= -0.0659 (180deg=-0.677) USER MOD Single : A 99 LYS NZ :NH3+ -154:sc= -0.0699 (180deg=-0.679) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 84.225 11.820 -4.265 1.00 0.30 N ATOM 2 CA LEU A 1 83.249 10.800 -4.741 1.00 0.28 C ATOM 3 C LEU A 1 82.345 10.368 -3.587 1.00 0.26 C ATOM 4 O LEU A 1 82.785 10.179 -2.471 1.00 0.27 O ATOM 5 CB LEU A 1 84.000 9.576 -5.272 1.00 0.29 C ATOM 6 CG LEU A 1 84.900 9.980 -6.446 1.00 0.33 C ATOM 7 CD1 LEU A 1 85.714 8.762 -6.903 1.00 0.34 C ATOM 8 CD2 LEU A 1 84.041 10.502 -7.617 1.00 0.42 C ATOM 0 H1 LEU A 1 84.572 12.373 -5.075 1.00 0.30 H new ATOM 0 H2 LEU A 1 83.760 12.455 -3.586 1.00 0.30 H new ATOM 0 H3 LEU A 1 85.026 11.345 -3.802 1.00 0.30 H new ATOM 0 HA LEU A 1 82.643 11.234 -5.536 1.00 0.28 H new ATOM 0 HB2 LEU A 1 84.602 9.135 -4.477 1.00 0.29 H new ATOM 0 HB3 LEU A 1 83.289 8.815 -5.593 1.00 0.29 H new ATOM 0 HG LEU A 1 85.576 10.773 -6.125 1.00 0.33 H new ATOM 0 HD11 LEU A 1 86.355 9.045 -7.738 1.00 0.34 H new ATOM 0 HD12 LEU A 1 86.330 8.405 -6.077 1.00 0.34 H new ATOM 0 HD13 LEU A 1 85.036 7.969 -7.219 1.00 0.34 H new ATOM 0 HD21 LEU A 1 84.690 10.786 -8.446 1.00 0.42 H new ATOM 0 HD22 LEU A 1 83.357 9.719 -7.944 1.00 0.42 H new ATOM 0 HD23 LEU A 1 83.469 11.370 -7.290 1.00 0.42 H new ATOM 22 N GLY A 2 81.079 10.222 -3.854 1.00 0.24 N ATOM 23 CA GLY A 2 80.124 9.805 -2.790 1.00 0.24 C ATOM 24 C GLY A 2 80.016 10.899 -1.724 1.00 0.25 C ATOM 25 O GLY A 2 80.080 12.065 -2.040 1.00 0.33 O ATOM 0 H GLY A 2 80.661 10.375 -4.772 1.00 0.24 H new ATOM 0 HA2 GLY A 2 79.144 9.612 -3.225 1.00 0.24 H new ATOM 0 HA3 GLY A 2 80.459 8.873 -2.334 1.00 0.24 H new ATOM 29 N LYS A 3 79.842 10.511 -0.469 1.00 0.23 N ATOM 30 CA LYS A 3 79.715 11.474 0.683 1.00 0.23 C ATOM 31 C LYS A 3 78.290 12.045 0.754 1.00 0.19 C ATOM 32 O LYS A 3 78.046 13.063 1.370 1.00 0.20 O ATOM 33 CB LYS A 3 80.749 12.612 0.592 1.00 0.28 C ATOM 34 CG LYS A 3 82.162 12.012 0.584 1.00 0.34 C ATOM 35 CD LYS A 3 83.173 13.062 0.104 1.00 1.04 C ATOM 36 CE LYS A 3 83.087 14.323 0.977 1.00 1.30 C ATOM 37 NZ LYS A 3 82.079 15.253 0.397 1.00 1.98 N ATOM 0 H LYS A 3 79.781 9.531 -0.192 1.00 0.23 H new ATOM 0 HA LYS A 3 79.917 10.919 1.599 1.00 0.23 H new ATOM 0 HB2 LYS A 3 80.585 13.197 -0.313 1.00 0.28 H new ATOM 0 HB3 LYS A 3 80.635 13.292 1.436 1.00 0.28 H new ATOM 0 HG2 LYS A 3 82.427 11.670 1.585 1.00 0.34 H new ATOM 0 HG3 LYS A 3 82.192 11.140 -0.069 1.00 0.34 H new ATOM 0 HD2 LYS A 3 84.182 12.651 0.145 1.00 1.04 H new ATOM 0 HD3 LYS A 3 82.975 13.318 -0.937 1.00 1.04 H new ATOM 0 HE2 LYS A 3 82.808 14.056 1.996 1.00 1.30 H new ATOM 0 HE3 LYS A 3 84.061 14.810 1.030 1.00 1.30 H new ATOM 0 HZ1 LYS A 3 82.170 16.187 0.845 1.00 1.98 H new ATOM 0 HZ2 LYS A 3 82.238 15.343 -0.627 1.00 1.98 H new ATOM 0 HZ3 LYS A 3 81.123 14.879 0.567 1.00 1.98 H new ATOM 51 N PHE A 4 77.350 11.395 0.121 1.00 0.17 N ATOM 52 CA PHE A 4 75.932 11.878 0.130 1.00 0.17 C ATOM 53 C PHE A 4 75.448 12.187 1.557 1.00 0.16 C ATOM 54 O PHE A 4 74.476 12.895 1.733 1.00 0.15 O ATOM 55 CB PHE A 4 75.035 10.787 -0.479 1.00 0.18 C ATOM 56 CG PHE A 4 74.792 9.681 0.531 1.00 0.18 C ATOM 57 CD1 PHE A 4 75.769 8.705 0.755 1.00 0.21 C ATOM 58 CD2 PHE A 4 73.589 9.645 1.248 1.00 0.19 C ATOM 59 CE1 PHE A 4 75.540 7.692 1.693 1.00 0.24 C ATOM 60 CE2 PHE A 4 73.362 8.633 2.186 1.00 0.23 C ATOM 61 CZ PHE A 4 74.337 7.656 2.408 1.00 0.25 C ATOM 0 H PHE A 4 77.504 10.538 -0.410 1.00 0.17 H new ATOM 0 HA PHE A 4 75.878 12.798 -0.452 1.00 0.17 H new ATOM 0 HB2 PHE A 4 74.084 11.220 -0.790 1.00 0.18 H new ATOM 0 HB3 PHE A 4 75.506 10.376 -1.372 1.00 0.18 H new ATOM 0 HD1 PHE A 4 76.698 8.733 0.205 1.00 0.21 H new ATOM 0 HD2 PHE A 4 72.836 10.400 1.076 1.00 0.19 H new ATOM 0 HE1 PHE A 4 76.293 6.937 1.866 1.00 0.24 H new ATOM 0 HE2 PHE A 4 72.434 8.606 2.738 1.00 0.23 H new ATOM 0 HZ PHE A 4 74.162 6.873 3.131 1.00 0.25 H new ATOM 71 N SER A 5 76.066 11.653 2.570 1.00 0.15 N ATOM 72 CA SER A 5 75.570 11.912 3.953 1.00 0.15 C ATOM 73 C SER A 5 75.828 13.362 4.364 1.00 0.14 C ATOM 74 O SER A 5 75.288 13.835 5.346 1.00 0.14 O ATOM 75 CB SER A 5 76.292 10.970 4.916 1.00 0.18 C ATOM 76 OG SER A 5 77.655 11.362 5.020 1.00 0.21 O ATOM 0 H SER A 5 76.888 11.052 2.505 1.00 0.15 H new ATOM 0 HA SER A 5 74.495 11.737 3.984 1.00 0.15 H new ATOM 0 HB2 SER A 5 75.817 10.999 5.897 1.00 0.18 H new ATOM 0 HB3 SER A 5 76.223 9.943 4.559 1.00 0.18 H new ATOM 0 HG SER A 5 78.122 10.762 5.638 1.00 0.21 H new ATOM 82 N GLN A 6 76.631 14.082 3.631 1.00 0.15 N ATOM 83 CA GLN A 6 76.898 15.501 4.000 1.00 0.16 C ATOM 84 C GLN A 6 75.669 16.364 3.710 1.00 0.14 C ATOM 85 O GLN A 6 75.477 17.391 4.330 1.00 0.15 O ATOM 86 CB GLN A 6 78.084 16.039 3.198 1.00 0.20 C ATOM 87 CG GLN A 6 79.373 15.372 3.681 1.00 0.25 C ATOM 88 CD GLN A 6 80.560 15.932 2.894 1.00 0.29 C ATOM 89 OE1 GLN A 6 80.340 16.661 1.834 1.00 0.93 O flip ATOM 90 NE2 GLN A 6 81.699 15.709 3.253 1.00 1.12 N flip ATOM 0 H GLN A 6 77.113 13.751 2.795 1.00 0.15 H new ATOM 0 HA GLN A 6 77.128 15.541 5.065 1.00 0.16 H new ATOM 0 HB2 GLN A 6 77.937 15.843 2.136 1.00 0.20 H new ATOM 0 HB3 GLN A 6 78.156 17.120 3.316 1.00 0.20 H new ATOM 0 HG2 GLN A 6 79.512 15.552 4.747 1.00 0.25 H new ATOM 0 HG3 GLN A 6 79.310 14.292 3.546 1.00 0.25 H new ATOM 0 HE21 GLN A 6 81.870 15.139 4.082 1.00 1.12 H new ATOM 0 HE22 GLN A 6 82.484 16.092 2.726 1.00 1.12 H new ATOM 99 N THR A 7 74.844 15.973 2.763 1.00 0.13 N ATOM 100 CA THR A 7 73.633 16.798 2.431 1.00 0.14 C ATOM 101 C THR A 7 72.358 15.945 2.487 1.00 0.13 C ATOM 102 O THR A 7 71.346 16.321 1.929 1.00 0.14 O ATOM 103 CB THR A 7 73.797 17.402 1.032 1.00 0.16 C ATOM 104 OG1 THR A 7 74.092 16.368 0.104 1.00 0.17 O ATOM 105 CG2 THR A 7 74.939 18.422 1.042 1.00 0.20 C ATOM 0 H THR A 7 74.955 15.124 2.209 1.00 0.13 H new ATOM 0 HA THR A 7 73.540 17.596 3.167 1.00 0.14 H new ATOM 0 HB THR A 7 72.872 17.900 0.741 1.00 0.16 H new ATOM 0 HG1 THR A 7 74.502 16.755 -0.697 1.00 0.17 H new ATOM 0 HG21 THR A 7 75.053 18.850 0.046 1.00 0.20 H new ATOM 0 HG22 THR A 7 74.712 19.216 1.754 1.00 0.20 H new ATOM 0 HG23 THR A 7 75.866 17.928 1.333 1.00 0.20 H new ATOM 113 N CYS A 8 72.382 14.813 3.162 1.00 0.13 N ATOM 114 CA CYS A 8 71.144 13.959 3.262 1.00 0.13 C ATOM 115 C CYS A 8 70.924 13.577 4.732 1.00 0.13 C ATOM 116 O CYS A 8 71.855 13.558 5.513 1.00 0.14 O ATOM 117 CB CYS A 8 71.311 12.696 2.411 1.00 0.12 C ATOM 118 SG CYS A 8 71.578 13.162 0.679 1.00 0.12 S ATOM 0 H CYS A 8 73.201 14.444 3.646 1.00 0.13 H new ATOM 0 HA CYS A 8 70.281 14.514 2.894 1.00 0.13 H new ATOM 0 HB2 CYS A 8 72.154 12.109 2.775 1.00 0.12 H new ATOM 0 HB3 CYS A 8 70.425 12.067 2.497 1.00 0.12 H new ATOM 123 N TYR A 9 69.705 13.289 5.131 1.00 0.13 N ATOM 124 CA TYR A 9 69.461 12.925 6.567 1.00 0.14 C ATOM 125 C TYR A 9 68.312 11.908 6.678 1.00 0.14 C ATOM 126 O TYR A 9 67.642 11.598 5.712 1.00 0.14 O ATOM 127 CB TYR A 9 69.123 14.188 7.367 1.00 0.16 C ATOM 128 CG TYR A 9 67.761 14.701 6.974 1.00 0.18 C ATOM 129 CD1 TYR A 9 67.611 15.521 5.851 1.00 0.23 C ATOM 130 CD2 TYR A 9 66.647 14.354 7.740 1.00 0.21 C ATOM 131 CE1 TYR A 9 66.342 15.993 5.494 1.00 0.27 C ATOM 132 CE2 TYR A 9 65.377 14.824 7.387 1.00 0.26 C ATOM 133 CZ TYR A 9 65.224 15.644 6.263 1.00 0.27 C ATOM 134 OH TYR A 9 63.973 16.109 5.913 1.00 0.33 O ATOM 0 H TYR A 9 68.878 13.290 4.534 1.00 0.13 H new ATOM 0 HA TYR A 9 70.364 12.470 6.974 1.00 0.14 H new ATOM 0 HB2 TYR A 9 69.143 13.968 8.434 1.00 0.16 H new ATOM 0 HB3 TYR A 9 69.876 14.955 7.185 1.00 0.16 H new ATOM 0 HD1 TYR A 9 68.474 15.790 5.259 1.00 0.23 H new ATOM 0 HD2 TYR A 9 66.765 13.721 8.607 1.00 0.21 H new ATOM 0 HE1 TYR A 9 66.225 16.626 4.627 1.00 0.27 H new ATOM 0 HE2 TYR A 9 64.516 14.554 7.981 1.00 0.26 H new ATOM 0 HH TYR A 9 63.309 15.773 6.550 1.00 0.33 H new ATOM 144 N ASN A 10 68.106 11.371 7.855 1.00 0.15 N ATOM 145 CA ASN A 10 67.030 10.347 8.068 1.00 0.16 C ATOM 146 C ASN A 10 67.231 9.169 7.109 1.00 0.15 C ATOM 147 O ASN A 10 66.286 8.612 6.585 1.00 0.16 O ATOM 148 CB ASN A 10 65.640 10.970 7.848 1.00 0.18 C ATOM 149 CG ASN A 10 65.219 11.748 9.100 1.00 0.21 C ATOM 150 OD1 ASN A 10 65.907 11.729 10.101 1.00 0.81 O ATOM 151 ND2 ASN A 10 64.108 12.431 9.087 1.00 0.67 N ATOM 0 H ASN A 10 68.644 11.600 8.691 1.00 0.15 H new ATOM 0 HA ASN A 10 67.092 9.988 9.095 1.00 0.16 H new ATOM 0 HB2 ASN A 10 65.661 11.635 6.985 1.00 0.18 H new ATOM 0 HB3 ASN A 10 64.911 10.189 7.631 1.00 0.18 H new ATOM 0 HD21 ASN A 10 63.818 12.948 9.917 1.00 0.67 H new ATOM 0 HD22 ASN A 10 63.529 12.448 8.247 1.00 0.67 H new ATOM 158 N SER A 11 68.454 8.784 6.882 1.00 0.14 N ATOM 159 CA SER A 11 68.715 7.638 5.970 1.00 0.14 C ATOM 160 C SER A 11 68.218 6.345 6.615 1.00 0.13 C ATOM 161 O SER A 11 68.298 6.154 7.812 1.00 0.14 O ATOM 162 CB SER A 11 70.216 7.524 5.702 1.00 0.15 C ATOM 163 OG SER A 11 70.672 8.722 5.086 1.00 0.18 O ATOM 0 H SER A 11 69.285 9.214 7.289 1.00 0.14 H new ATOM 0 HA SER A 11 68.189 7.803 5.030 1.00 0.14 H new ATOM 0 HB2 SER A 11 70.753 7.354 6.635 1.00 0.15 H new ATOM 0 HB3 SER A 11 70.419 6.669 5.057 1.00 0.15 H new ATOM 0 HG SER A 11 71.634 8.655 4.913 1.00 0.18 H new ATOM 169 N ALA A 12 67.707 5.456 5.809 1.00 0.13 N ATOM 170 CA ALA A 12 67.188 4.160 6.342 1.00 0.13 C ATOM 171 C ALA A 12 67.479 3.052 5.329 1.00 0.13 C ATOM 172 O ALA A 12 67.637 3.300 4.149 1.00 0.13 O ATOM 173 CB ALA A 12 65.677 4.280 6.550 1.00 0.13 C ATOM 0 H ALA A 12 67.625 5.570 4.799 1.00 0.13 H new ATOM 0 HA ALA A 12 67.671 3.923 7.290 1.00 0.13 H new ATOM 0 HB1 ALA A 12 65.287 3.339 6.939 1.00 0.13 H new ATOM 0 HB2 ALA A 12 65.470 5.080 7.261 1.00 0.13 H new ATOM 0 HB3 ALA A 12 65.196 4.506 5.599 1.00 0.13 H new ATOM 179 N ILE A 13 67.553 1.831 5.791 1.00 0.13 N ATOM 180 CA ILE A 13 67.833 0.682 4.874 1.00 0.14 C ATOM 181 C ILE A 13 66.873 -0.467 5.170 1.00 0.14 C ATOM 182 O ILE A 13 66.641 -0.839 6.303 1.00 0.16 O ATOM 183 CB ILE A 13 69.300 0.229 5.027 1.00 0.14 C ATOM 184 CG1 ILE A 13 70.207 1.269 4.349 1.00 0.15 C ATOM 185 CG2 ILE A 13 69.500 -1.137 4.356 1.00 0.16 C ATOM 186 CD1 ILE A 13 71.657 1.105 4.807 1.00 0.17 C ATOM 0 H ILE A 13 67.431 1.577 6.771 1.00 0.13 H new ATOM 0 HA ILE A 13 67.680 0.999 3.843 1.00 0.14 H new ATOM 0 HB ILE A 13 69.549 0.142 6.085 1.00 0.14 H new ATOM 0 HG12 ILE A 13 70.148 1.159 3.266 1.00 0.15 H new ATOM 0 HG13 ILE A 13 69.857 2.274 4.587 1.00 0.15 H new ATOM 0 HG21 ILE A 13 70.538 -1.449 4.469 1.00 0.16 H new ATOM 0 HG22 ILE A 13 68.847 -1.872 4.826 1.00 0.16 H new ATOM 0 HG23 ILE A 13 69.257 -1.061 3.296 1.00 0.16 H new ATOM 0 HD11 ILE A 13 72.281 1.851 4.315 1.00 0.17 H new ATOM 0 HD12 ILE A 13 71.715 1.239 5.887 1.00 0.17 H new ATOM 0 HD13 ILE A 13 72.010 0.107 4.546 1.00 0.17 H new ATOM 198 N GLN A 14 66.322 -1.035 4.131 1.00 0.14 N ATOM 199 CA GLN A 14 65.378 -2.178 4.279 1.00 0.16 C ATOM 200 C GLN A 14 65.760 -3.218 3.230 1.00 0.15 C ATOM 201 O GLN A 14 65.560 -3.024 2.048 1.00 0.15 O ATOM 202 CB GLN A 14 63.946 -1.695 4.033 1.00 0.18 C ATOM 203 CG GLN A 14 62.976 -2.866 4.185 1.00 0.23 C ATOM 204 CD GLN A 14 61.538 -2.357 4.068 1.00 1.00 C ATOM 205 OE1 GLN A 14 61.287 -1.355 3.429 1.00 1.65 O ATOM 206 NE2 GLN A 14 60.579 -3.006 4.668 1.00 1.56 N ATOM 0 H GLN A 14 66.491 -0.748 3.167 1.00 0.14 H new ATOM 0 HA GLN A 14 65.432 -2.602 5.282 1.00 0.16 H new ATOM 0 HB2 GLN A 14 63.692 -0.905 4.740 1.00 0.18 H new ATOM 0 HB3 GLN A 14 63.862 -1.268 3.034 1.00 0.18 H new ATOM 0 HG2 GLN A 14 63.171 -3.615 3.418 1.00 0.23 H new ATOM 0 HG3 GLN A 14 63.124 -3.351 5.150 1.00 0.23 H new ATOM 0 HE21 GLN A 14 60.790 -3.847 5.204 1.00 1.56 H new ATOM 0 HE22 GLN A 14 59.618 -2.672 4.601 1.00 1.56 H new ATOM 215 N GLY A 15 66.340 -4.300 3.646 1.00 0.17 N ATOM 216 CA GLY A 15 66.769 -5.316 2.651 1.00 0.16 C ATOM 217 C GLY A 15 68.017 -4.779 1.942 1.00 0.14 C ATOM 218 O GLY A 15 69.012 -4.485 2.574 1.00 0.14 O ATOM 0 H GLY A 15 66.536 -4.527 4.621 1.00 0.17 H new ATOM 0 HA2 GLY A 15 66.987 -6.264 3.143 1.00 0.16 H new ATOM 0 HA3 GLY A 15 65.973 -5.506 1.931 1.00 0.16 H new ATOM 222 N SER A 16 67.962 -4.612 0.643 1.00 0.12 N ATOM 223 CA SER A 16 69.135 -4.054 -0.111 1.00 0.12 C ATOM 224 C SER A 16 68.779 -2.661 -0.649 1.00 0.11 C ATOM 225 O SER A 16 69.517 -2.072 -1.414 1.00 0.12 O ATOM 226 CB SER A 16 69.458 -4.976 -1.287 1.00 0.14 C ATOM 227 OG SER A 16 68.391 -4.932 -2.226 1.00 0.20 O ATOM 0 H SER A 16 67.151 -4.839 0.067 1.00 0.12 H new ATOM 0 HA SER A 16 69.997 -3.982 0.553 1.00 0.12 H new ATOM 0 HB2 SER A 16 70.389 -4.666 -1.762 1.00 0.14 H new ATOM 0 HB3 SER A 16 69.605 -5.997 -0.934 1.00 0.14 H new ATOM 0 HG SER A 16 68.664 -4.407 -3.007 1.00 0.20 H new ATOM 233 N VAL A 17 67.629 -2.146 -0.285 1.00 0.11 N ATOM 234 CA VAL A 17 67.191 -0.811 -0.811 1.00 0.11 C ATOM 235 C VAL A 17 67.611 0.338 0.114 1.00 0.11 C ATOM 236 O VAL A 17 67.240 0.395 1.271 1.00 0.13 O ATOM 237 CB VAL A 17 65.665 -0.819 -0.948 1.00 0.14 C ATOM 238 CG1 VAL A 17 65.164 0.573 -1.344 1.00 0.16 C ATOM 239 CG2 VAL A 17 65.260 -1.826 -2.026 1.00 0.19 C ATOM 0 H VAL A 17 66.972 -2.593 0.355 1.00 0.11 H new ATOM 0 HA VAL A 17 67.671 -0.648 -1.776 1.00 0.11 H new ATOM 0 HB VAL A 17 65.223 -1.099 0.008 1.00 0.14 H new ATOM 0 HG11 VAL A 17 64.078 0.556 -1.439 1.00 0.16 H new ATOM 0 HG12 VAL A 17 65.450 1.294 -0.578 1.00 0.16 H new ATOM 0 HG13 VAL A 17 65.607 0.861 -2.297 1.00 0.16 H new ATOM 0 HG21 VAL A 17 64.175 -1.835 -2.126 1.00 0.19 H new ATOM 0 HG22 VAL A 17 65.710 -1.542 -2.977 1.00 0.19 H new ATOM 0 HG23 VAL A 17 65.606 -2.820 -1.744 1.00 0.19 H new ATOM 249 N LEU A 18 68.344 1.282 -0.413 1.00 0.11 N ATOM 250 CA LEU A 18 68.740 2.472 0.400 1.00 0.12 C ATOM 251 C LEU A 18 67.717 3.569 0.120 1.00 0.12 C ATOM 252 O LEU A 18 67.432 3.891 -1.016 1.00 0.13 O ATOM 253 CB LEU A 18 70.145 2.948 0.001 1.00 0.14 C ATOM 254 CG LEU A 18 70.460 4.309 0.650 1.00 0.17 C ATOM 255 CD1 LEU A 18 70.362 4.200 2.179 1.00 0.24 C ATOM 256 CD2 LEU A 18 71.881 4.727 0.257 1.00 0.20 C ATOM 0 H LEU A 18 68.687 1.282 -1.374 1.00 0.11 H new ATOM 0 HA LEU A 18 68.762 2.222 1.461 1.00 0.12 H new ATOM 0 HB2 LEU A 18 70.886 2.211 0.310 1.00 0.14 H new ATOM 0 HB3 LEU A 18 70.212 3.032 -1.084 1.00 0.14 H new ATOM 0 HG LEU A 18 69.742 5.052 0.304 1.00 0.17 H new ATOM 0 HD11 LEU A 18 70.587 5.168 2.628 1.00 0.24 H new ATOM 0 HD12 LEU A 18 69.353 3.896 2.458 1.00 0.24 H new ATOM 0 HD13 LEU A 18 71.077 3.459 2.538 1.00 0.24 H new ATOM 0 HD21 LEU A 18 72.116 5.690 0.711 1.00 0.20 H new ATOM 0 HD22 LEU A 18 72.591 3.978 0.608 1.00 0.20 H new ATOM 0 HD23 LEU A 18 71.949 4.811 -0.828 1.00 0.20 H new ATOM 268 N THR A 19 67.165 4.145 1.158 1.00 0.13 N ATOM 269 CA THR A 19 66.144 5.225 0.983 1.00 0.14 C ATOM 270 C THR A 19 66.532 6.420 1.852 1.00 0.14 C ATOM 271 O THR A 19 66.842 6.270 3.017 1.00 0.14 O ATOM 272 CB THR A 19 64.793 4.656 1.421 1.00 0.16 C ATOM 273 OG1 THR A 19 64.459 3.557 0.586 1.00 0.20 O ATOM 274 CG2 THR A 19 63.688 5.710 1.334 1.00 0.19 C ATOM 0 H THR A 19 67.379 3.912 2.128 1.00 0.13 H new ATOM 0 HA THR A 19 66.087 5.557 -0.054 1.00 0.14 H new ATOM 0 HB THR A 19 64.876 4.336 2.460 1.00 0.16 H new ATOM 0 HG1 THR A 19 63.595 3.187 0.863 1.00 0.20 H new ATOM 0 HG21 THR A 19 62.742 5.272 1.652 1.00 0.19 H new ATOM 0 HG22 THR A 19 63.935 6.551 1.982 1.00 0.19 H new ATOM 0 HG23 THR A 19 63.598 6.059 0.305 1.00 0.19 H new ATOM 282 N SER A 20 66.544 7.601 1.312 1.00 0.14 N ATOM 283 CA SER A 20 66.948 8.762 2.162 1.00 0.15 C ATOM 284 C SER A 20 66.401 10.072 1.596 1.00 0.14 C ATOM 285 O SER A 20 66.083 10.179 0.428 1.00 0.14 O ATOM 286 CB SER A 20 68.478 8.835 2.192 1.00 0.16 C ATOM 287 OG SER A 20 68.885 9.865 3.084 1.00 0.22 O ATOM 0 H SER A 20 66.300 7.817 0.345 1.00 0.14 H new ATOM 0 HA SER A 20 66.544 8.622 3.165 1.00 0.15 H new ATOM 0 HB2 SER A 20 68.892 7.878 2.510 1.00 0.16 H new ATOM 0 HB3 SER A 20 68.863 9.032 1.192 1.00 0.16 H new ATOM 0 HG SER A 20 69.485 9.492 3.763 1.00 0.22 H new ATOM 293 N THR A 21 66.319 11.081 2.429 1.00 0.16 N ATOM 294 CA THR A 21 65.827 12.412 1.957 1.00 0.16 C ATOM 295 C THR A 21 67.051 13.276 1.681 1.00 0.15 C ATOM 296 O THR A 21 67.874 13.482 2.551 1.00 0.17 O ATOM 297 CB THR A 21 64.961 13.065 3.037 1.00 0.19 C ATOM 298 OG1 THR A 21 63.798 12.276 3.249 1.00 0.22 O ATOM 299 CG2 THR A 21 64.554 14.469 2.588 1.00 0.25 C ATOM 0 H THR A 21 66.572 11.040 3.416 1.00 0.16 H new ATOM 0 HA THR A 21 65.221 12.301 1.058 1.00 0.16 H new ATOM 0 HB THR A 21 65.528 13.135 3.966 1.00 0.19 H new ATOM 0 HG1 THR A 21 63.330 12.149 2.398 1.00 0.22 H new ATOM 0 HG21 THR A 21 63.937 14.933 3.358 1.00 0.25 H new ATOM 0 HG22 THR A 21 65.447 15.072 2.426 1.00 0.25 H new ATOM 0 HG23 THR A 21 63.987 14.404 1.659 1.00 0.25 H new ATOM 307 N CYS A 22 67.189 13.774 0.474 1.00 0.14 N ATOM 308 CA CYS A 22 68.380 14.615 0.129 1.00 0.15 C ATOM 309 C CYS A 22 67.946 16.002 -0.332 1.00 0.15 C ATOM 310 O CYS A 22 66.842 16.204 -0.801 1.00 0.16 O ATOM 311 CB CYS A 22 69.167 13.923 -0.984 1.00 0.14 C ATOM 312 SG CYS A 22 69.963 12.444 -0.305 1.00 0.14 S ATOM 0 H CYS A 22 66.526 13.634 -0.289 1.00 0.14 H new ATOM 0 HA CYS A 22 69.005 14.730 1.015 1.00 0.15 H new ATOM 0 HB2 CYS A 22 68.502 13.651 -1.803 1.00 0.14 H new ATOM 0 HB3 CYS A 22 69.916 14.600 -1.393 1.00 0.14 H new ATOM 317 N GLU A 23 68.817 16.962 -0.192 1.00 0.18 N ATOM 318 CA GLU A 23 68.488 18.351 -0.603 1.00 0.19 C ATOM 319 C GLU A 23 68.786 18.579 -2.086 1.00 0.19 C ATOM 320 O GLU A 23 69.780 18.131 -2.623 1.00 0.22 O ATOM 321 CB GLU A 23 69.303 19.331 0.236 1.00 0.24 C ATOM 322 CG GLU A 23 68.787 20.748 -0.009 1.00 0.27 C ATOM 323 CD GLU A 23 69.514 21.722 0.921 1.00 0.32 C ATOM 324 OE1 GLU A 23 70.212 21.255 1.806 1.00 0.36 O ATOM 325 OE2 GLU A 23 69.359 22.918 0.734 1.00 0.35 O ATOM 0 H GLU A 23 69.753 16.840 0.194 1.00 0.18 H new ATOM 0 HA GLU A 23 67.422 18.512 -0.443 1.00 0.19 H new ATOM 0 HB2 GLU A 23 69.222 19.079 1.293 1.00 0.24 H new ATOM 0 HB3 GLU A 23 70.359 19.264 -0.028 1.00 0.24 H new ATOM 0 HG2 GLU A 23 68.949 21.031 -1.049 1.00 0.27 H new ATOM 0 HG3 GLU A 23 67.713 20.791 0.169 1.00 0.27 H new ATOM 332 N ARG A 24 67.915 19.307 -2.728 1.00 0.20 N ATOM 333 CA ARG A 24 68.075 19.642 -4.169 1.00 0.23 C ATOM 334 C ARG A 24 69.060 20.805 -4.309 1.00 0.25 C ATOM 335 O ARG A 24 69.225 21.605 -3.408 1.00 0.24 O ATOM 336 CB ARG A 24 66.724 20.100 -4.721 1.00 0.24 C ATOM 337 CG ARG A 24 65.749 18.923 -4.792 1.00 0.34 C ATOM 338 CD ARG A 24 64.366 19.457 -5.176 1.00 0.51 C ATOM 339 NE ARG A 24 63.416 18.319 -5.421 1.00 0.97 N ATOM 340 CZ ARG A 24 63.629 17.431 -6.355 1.00 1.52 C ATOM 341 NH1 ARG A 24 64.621 17.572 -7.190 1.00 1.87 N ATOM 342 NH2 ARG A 24 62.819 16.416 -6.478 1.00 2.24 N ATOM 0 H ARG A 24 67.074 19.694 -2.299 1.00 0.20 H new ATOM 0 HA ARG A 24 68.439 18.768 -4.710 1.00 0.23 H new ATOM 0 HB2 ARG A 24 66.312 20.884 -4.086 1.00 0.24 H new ATOM 0 HB3 ARG A 24 66.857 20.531 -5.713 1.00 0.24 H new ATOM 0 HG2 ARG A 24 66.090 18.193 -5.526 1.00 0.34 H new ATOM 0 HG3 ARG A 24 65.703 18.411 -3.831 1.00 0.34 H new ATOM 0 HD2 ARG A 24 63.982 20.095 -4.380 1.00 0.51 H new ATOM 0 HD3 ARG A 24 64.443 20.074 -6.071 1.00 0.51 H new ATOM 0 HE ARG A 24 62.581 18.238 -4.841 1.00 0.97 H new ATOM 0 HH11 ARG A 24 65.238 18.381 -7.117 1.00 1.87 H new ATOM 0 HH12 ARG A 24 64.780 16.873 -7.916 1.00 1.87 H new ATOM 0 HH21 ARG A 24 62.024 16.319 -5.847 1.00 2.24 H new ATOM 0 HH22 ARG A 24 62.981 15.720 -7.206 1.00 2.24 H new ATOM 356 N THR A 25 69.714 20.901 -5.431 1.00 0.32 N ATOM 357 CA THR A 25 70.697 22.003 -5.639 1.00 0.37 C ATOM 358 C THR A 25 69.985 23.351 -5.525 1.00 0.34 C ATOM 359 O THR A 25 70.523 24.297 -4.985 1.00 0.35 O ATOM 360 CB THR A 25 71.326 21.880 -7.030 1.00 0.45 C ATOM 361 OG1 THR A 25 71.994 20.630 -7.133 1.00 1.12 O ATOM 362 CG2 THR A 25 72.332 23.015 -7.243 1.00 1.23 C ATOM 0 H THR A 25 69.611 20.261 -6.218 1.00 0.32 H new ATOM 0 HA THR A 25 71.477 21.935 -4.881 1.00 0.37 H new ATOM 0 HB THR A 25 70.546 21.943 -7.789 1.00 0.45 H new ATOM 0 HG1 THR A 25 72.397 20.547 -8.023 1.00 1.12 H new ATOM 0 HG21 THR A 25 72.778 22.925 -8.234 1.00 1.23 H new ATOM 0 HG22 THR A 25 71.821 23.974 -7.161 1.00 1.23 H new ATOM 0 HG23 THR A 25 73.114 22.955 -6.486 1.00 1.23 H new ATOM 370 N ASN A 26 68.794 23.458 -6.047 1.00 0.32 N ATOM 371 CA ASN A 26 68.072 24.767 -5.975 1.00 0.30 C ATOM 372 C ASN A 26 67.254 24.834 -4.683 1.00 0.27 C ATOM 373 O ASN A 26 66.246 25.509 -4.610 1.00 0.25 O ATOM 374 CB ASN A 26 67.149 24.922 -7.186 1.00 0.31 C ATOM 375 CG ASN A 26 67.989 25.126 -8.449 1.00 1.30 C ATOM 376 OD1 ASN A 26 69.290 25.156 -8.357 1.00 1.98 O flip ATOM 377 ND2 ASN A 26 67.455 25.256 -9.533 1.00 2.23 N flip ATOM 0 H ASN A 26 68.291 22.705 -6.517 1.00 0.32 H new ATOM 0 HA ASN A 26 68.800 25.578 -5.980 1.00 0.30 H new ATOM 0 HB2 ASN A 26 66.522 24.037 -7.293 1.00 0.31 H new ATOM 0 HB3 ASN A 26 66.481 25.771 -7.040 1.00 0.31 H new ATOM 0 HD21 ASN A 26 66.438 25.233 -9.607 1.00 2.23 H new ATOM 0 HD22 ASN A 26 68.024 25.388 -10.369 1.00 2.23 H new ATOM 384 N GLY A 27 67.682 24.145 -3.656 1.00 0.27 N ATOM 385 CA GLY A 27 66.933 24.175 -2.367 1.00 0.26 C ATOM 386 C GLY A 27 65.694 23.285 -2.462 1.00 0.23 C ATOM 387 O GLY A 27 65.224 22.978 -3.538 1.00 0.22 O ATOM 0 H GLY A 27 68.519 23.563 -3.656 1.00 0.27 H new ATOM 0 HA2 GLY A 27 67.575 23.833 -1.556 1.00 0.26 H new ATOM 0 HA3 GLY A 27 66.639 25.198 -2.131 1.00 0.26 H new ATOM 391 N GLY A 28 65.205 22.813 -1.340 1.00 0.23 N ATOM 392 CA GLY A 28 64.031 21.875 -1.353 1.00 0.23 C ATOM 393 C GLY A 28 64.549 20.475 -1.005 1.00 0.23 C ATOM 394 O GLY A 28 65.706 20.177 -1.223 1.00 0.24 O ATOM 0 H GLY A 28 65.567 23.036 -0.413 1.00 0.23 H new ATOM 0 HA2 GLY A 28 63.278 22.194 -0.632 1.00 0.23 H new ATOM 0 HA3 GLY A 28 63.554 21.873 -2.333 1.00 0.23 H new ATOM 398 N TYR A 29 63.715 19.599 -0.487 1.00 0.22 N ATOM 399 CA TYR A 29 64.187 18.211 -0.154 1.00 0.21 C ATOM 400 C TYR A 29 63.520 17.208 -1.094 1.00 0.20 C ATOM 401 O TYR A 29 62.367 17.343 -1.451 1.00 0.21 O ATOM 402 CB TYR A 29 63.837 17.873 1.303 1.00 0.24 C ATOM 403 CG TYR A 29 64.851 18.521 2.223 1.00 0.27 C ATOM 404 CD1 TYR A 29 66.150 17.993 2.317 1.00 0.27 C ATOM 405 CD2 TYR A 29 64.499 19.652 2.972 1.00 0.31 C ATOM 406 CE1 TYR A 29 67.088 18.597 3.163 1.00 0.32 C ATOM 407 CE2 TYR A 29 65.441 20.254 3.814 1.00 0.35 C ATOM 408 CZ TYR A 29 66.734 19.726 3.910 1.00 0.36 C ATOM 409 OH TYR A 29 67.658 20.322 4.742 1.00 0.42 O ATOM 0 H TYR A 29 62.733 19.783 -0.281 1.00 0.22 H new ATOM 0 HA TYR A 29 65.269 18.159 -0.278 1.00 0.21 H new ATOM 0 HB2 TYR A 29 62.834 18.228 1.540 1.00 0.24 H new ATOM 0 HB3 TYR A 29 63.835 16.793 1.448 1.00 0.24 H new ATOM 0 HD1 TYR A 29 66.424 17.123 1.738 1.00 0.27 H new ATOM 0 HD2 TYR A 29 63.501 20.059 2.899 1.00 0.31 H new ATOM 0 HE1 TYR A 29 68.086 18.191 3.239 1.00 0.32 H new ATOM 0 HE2 TYR A 29 65.170 21.126 4.390 1.00 0.35 H new ATOM 0 HH TYR A 29 67.249 21.094 5.185 1.00 0.42 H new ATOM 419 N ASN A 30 64.252 16.201 -1.496 1.00 0.19 N ATOM 420 CA ASN A 30 63.701 15.167 -2.427 1.00 0.20 C ATOM 421 C ASN A 30 64.017 13.777 -1.881 1.00 0.19 C ATOM 422 O ASN A 30 65.110 13.524 -1.414 1.00 0.21 O ATOM 423 CB ASN A 30 64.363 15.333 -3.798 1.00 0.23 C ATOM 424 CG ASN A 30 63.630 14.479 -4.837 1.00 0.27 C ATOM 425 OD1 ASN A 30 62.416 14.427 -4.847 1.00 0.42 O ATOM 426 ND2 ASN A 30 64.320 13.808 -5.724 1.00 0.35 N ATOM 0 H ASN A 30 65.221 16.048 -1.216 1.00 0.19 H new ATOM 0 HA ASN A 30 62.621 15.286 -2.518 1.00 0.20 H new ATOM 0 HB2 ASN A 30 64.343 16.381 -4.097 1.00 0.23 H new ATOM 0 HB3 ASN A 30 65.411 15.036 -3.744 1.00 0.23 H new ATOM 0 HD21 ASN A 30 63.839 13.242 -6.423 1.00 0.35 H new ATOM 0 HD22 ASN A 30 65.339 13.851 -5.716 1.00 0.35 H new ATOM 433 N THR A 31 63.070 12.870 -1.940 1.00 0.18 N ATOM 434 CA THR A 31 63.313 11.482 -1.431 1.00 0.17 C ATOM 435 C THR A 31 63.486 10.537 -2.619 1.00 0.15 C ATOM 436 O THR A 31 62.733 10.572 -3.570 1.00 0.17 O ATOM 437 CB THR A 31 62.128 11.028 -0.565 1.00 0.21 C ATOM 438 OG1 THR A 31 62.132 11.726 0.671 1.00 0.28 O ATOM 439 CG2 THR A 31 62.217 9.515 -0.316 1.00 0.23 C ATOM 0 H THR A 31 62.137 13.032 -2.320 1.00 0.18 H new ATOM 0 HA THR A 31 64.216 11.468 -0.821 1.00 0.17 H new ATOM 0 HB THR A 31 61.198 11.249 -1.089 1.00 0.21 H new ATOM 0 HG1 THR A 31 61.372 11.431 1.216 1.00 0.28 H new ATOM 0 HG21 THR A 31 61.375 9.197 0.299 1.00 0.23 H new ATOM 0 HG22 THR A 31 62.190 8.987 -1.269 1.00 0.23 H new ATOM 0 HG23 THR A 31 63.149 9.285 0.200 1.00 0.23 H new ATOM 447 N SER A 32 64.476 9.691 -2.571 1.00 0.15 N ATOM 448 CA SER A 32 64.701 8.747 -3.699 1.00 0.16 C ATOM 449 C SER A 32 65.328 7.457 -3.172 1.00 0.16 C ATOM 450 O SER A 32 65.887 7.410 -2.093 1.00 0.17 O ATOM 451 CB SER A 32 65.628 9.394 -4.729 1.00 0.20 C ATOM 452 OG SER A 32 66.943 9.474 -4.195 1.00 0.27 O ATOM 0 H SER A 32 65.139 9.613 -1.800 1.00 0.15 H new ATOM 0 HA SER A 32 63.748 8.512 -4.172 1.00 0.16 H new ATOM 0 HB2 SER A 32 65.632 8.810 -5.649 1.00 0.20 H new ATOM 0 HB3 SER A 32 65.266 10.390 -4.986 1.00 0.20 H new ATOM 0 HG SER A 32 67.107 10.382 -3.865 1.00 0.27 H new ATOM 458 N SER A 33 65.218 6.405 -3.935 1.00 0.16 N ATOM 459 CA SER A 33 65.779 5.088 -3.512 1.00 0.16 C ATOM 460 C SER A 33 66.507 4.440 -4.686 1.00 0.14 C ATOM 461 O SER A 33 66.148 4.612 -5.834 1.00 0.15 O ATOM 462 CB SER A 33 64.633 4.183 -3.048 1.00 0.18 C ATOM 463 OG SER A 33 64.022 4.760 -1.902 1.00 0.24 O ATOM 0 H SER A 33 64.758 6.400 -4.845 1.00 0.16 H new ATOM 0 HA SER A 33 66.484 5.233 -2.694 1.00 0.16 H new ATOM 0 HB2 SER A 33 63.900 4.065 -3.846 1.00 0.18 H new ATOM 0 HB3 SER A 33 65.011 3.188 -2.812 1.00 0.18 H new ATOM 0 HG SER A 33 64.259 4.238 -1.107 1.00 0.24 H new ATOM 469 N ILE A 34 67.532 3.686 -4.396 1.00 0.14 N ATOM 470 CA ILE A 34 68.315 3.007 -5.469 1.00 0.14 C ATOM 471 C ILE A 34 68.763 1.636 -4.953 1.00 0.13 C ATOM 472 O ILE A 34 69.181 1.497 -3.820 1.00 0.16 O ATOM 473 CB ILE A 34 69.538 3.872 -5.804 1.00 0.17 C ATOM 474 CG1 ILE A 34 70.250 3.316 -7.041 1.00 0.21 C ATOM 475 CG2 ILE A 34 70.506 3.882 -4.618 1.00 0.17 C ATOM 476 CD1 ILE A 34 71.315 4.313 -7.504 1.00 0.28 C ATOM 0 H ILE A 34 67.865 3.509 -3.448 1.00 0.14 H new ATOM 0 HA ILE A 34 67.711 2.875 -6.366 1.00 0.14 H new ATOM 0 HB ILE A 34 69.206 4.890 -6.009 1.00 0.17 H new ATOM 0 HG12 ILE A 34 70.711 2.356 -6.808 1.00 0.21 H new ATOM 0 HG13 ILE A 34 69.530 3.139 -7.840 1.00 0.21 H new ATOM 0 HG21 ILE A 34 71.372 4.497 -4.861 1.00 0.17 H new ATOM 0 HG22 ILE A 34 70.004 4.292 -3.742 1.00 0.17 H new ATOM 0 HG23 ILE A 34 70.832 2.864 -4.406 1.00 0.17 H new ATOM 0 HD11 ILE A 34 71.823 3.920 -8.384 1.00 0.28 H new ATOM 0 HD12 ILE A 34 70.841 5.262 -7.753 1.00 0.28 H new ATOM 0 HD13 ILE A 34 72.040 4.468 -6.705 1.00 0.28 H new ATOM 488 N ASP A 35 68.672 0.619 -5.764 1.00 0.14 N ATOM 489 CA ASP A 35 69.082 -0.738 -5.300 1.00 0.14 C ATOM 490 C ASP A 35 70.611 -0.849 -5.305 1.00 0.13 C ATOM 491 O ASP A 35 71.247 -0.754 -6.337 1.00 0.14 O ATOM 492 CB ASP A 35 68.492 -1.801 -6.233 1.00 0.15 C ATOM 493 CG ASP A 35 68.674 -3.183 -5.598 1.00 0.16 C ATOM 494 OD1 ASP A 35 69.386 -3.270 -4.611 1.00 0.18 O ATOM 495 OD2 ASP A 35 68.103 -4.130 -6.113 1.00 0.20 O ATOM 0 H ASP A 35 68.333 0.667 -6.725 1.00 0.14 H new ATOM 0 HA ASP A 35 68.712 -0.896 -4.287 1.00 0.14 H new ATOM 0 HB2 ASP A 35 67.434 -1.603 -6.407 1.00 0.15 H new ATOM 0 HB3 ASP A 35 68.986 -1.765 -7.204 1.00 0.15 H new ATOM 500 N LEU A 36 71.201 -1.078 -4.163 1.00 0.13 N ATOM 501 CA LEU A 36 72.687 -1.224 -4.093 1.00 0.14 C ATOM 502 C LEU A 36 73.070 -2.628 -4.556 1.00 0.13 C ATOM 503 O LEU A 36 74.234 -2.962 -4.664 1.00 0.13 O ATOM 504 CB LEU A 36 73.164 -1.060 -2.647 1.00 0.16 C ATOM 505 CG LEU A 36 72.790 0.318 -2.096 1.00 0.17 C ATOM 506 CD1 LEU A 36 73.040 0.332 -0.586 1.00 0.22 C ATOM 507 CD2 LEU A 36 73.659 1.395 -2.752 1.00 0.24 C ATOM 0 H LEU A 36 70.717 -1.171 -3.270 1.00 0.13 H new ATOM 0 HA LEU A 36 73.146 -0.464 -4.725 1.00 0.14 H new ATOM 0 HB2 LEU A 36 72.720 -1.837 -2.024 1.00 0.16 H new ATOM 0 HB3 LEU A 36 74.245 -1.193 -2.600 1.00 0.16 H new ATOM 0 HG LEU A 36 71.740 0.520 -2.309 1.00 0.17 H new ATOM 0 HD11 LEU A 36 72.777 1.310 -0.183 1.00 0.22 H new ATOM 0 HD12 LEU A 36 72.429 -0.434 -0.109 1.00 0.22 H new ATOM 0 HD13 LEU A 36 74.093 0.130 -0.390 1.00 0.22 H new ATOM 0 HD21 LEU A 36 73.387 2.373 -2.355 1.00 0.24 H new ATOM 0 HD22 LEU A 36 74.709 1.195 -2.538 1.00 0.24 H new ATOM 0 HD23 LEU A 36 73.500 1.384 -3.830 1.00 0.24 H new ATOM 519 N ASN A 37 72.102 -3.456 -4.807 1.00 0.13 N ATOM 520 CA ASN A 37 72.396 -4.853 -5.227 1.00 0.12 C ATOM 521 C ASN A 37 73.208 -4.867 -6.525 1.00 0.11 C ATOM 522 O ASN A 37 74.096 -5.678 -6.697 1.00 0.11 O ATOM 523 CB ASN A 37 71.076 -5.597 -5.431 1.00 0.14 C ATOM 524 CG ASN A 37 71.364 -7.037 -5.838 1.00 0.15 C ATOM 525 OD1 ASN A 37 72.108 -7.283 -6.767 1.00 0.24 O ATOM 526 ND2 ASN A 37 70.801 -8.004 -5.171 1.00 0.22 N ATOM 0 H ASN A 37 71.111 -3.226 -4.739 1.00 0.13 H new ATOM 0 HA ASN A 37 72.984 -5.344 -4.452 1.00 0.12 H new ATOM 0 HB2 ASN A 37 70.489 -5.578 -4.513 1.00 0.14 H new ATOM 0 HB3 ASN A 37 70.482 -5.102 -6.199 1.00 0.14 H new ATOM 0 HD21 ASN A 37 70.984 -8.974 -5.427 1.00 0.22 H new ATOM 0 HD22 ASN A 37 70.178 -7.791 -4.392 1.00 0.22 H new ATOM 533 N SER A 38 72.904 -4.004 -7.448 1.00 0.12 N ATOM 534 CA SER A 38 73.648 -3.996 -8.740 1.00 0.12 C ATOM 535 C SER A 38 75.088 -3.496 -8.561 1.00 0.12 C ATOM 536 O SER A 38 75.798 -3.335 -9.533 1.00 0.13 O ATOM 537 CB SER A 38 72.930 -3.076 -9.727 1.00 0.12 C ATOM 538 OG SER A 38 72.871 -1.762 -9.184 1.00 1.29 O ATOM 0 H SER A 38 72.170 -3.300 -7.366 1.00 0.12 H new ATOM 0 HA SER A 38 73.682 -5.019 -9.114 1.00 0.12 H new ATOM 0 HB2 SER A 38 73.457 -3.065 -10.681 1.00 0.12 H new ATOM 0 HB3 SER A 38 71.924 -3.447 -9.923 1.00 0.12 H new ATOM 0 HG SER A 38 72.413 -1.168 -9.814 1.00 1.29 H new ATOM 544 N VAL A 39 75.526 -3.199 -7.355 1.00 0.12 N ATOM 545 CA VAL A 39 76.925 -2.671 -7.187 1.00 0.13 C ATOM 546 C VAL A 39 77.676 -3.344 -6.014 1.00 0.14 C ATOM 547 O VAL A 39 78.842 -3.076 -5.817 1.00 0.16 O ATOM 548 CB VAL A 39 76.856 -1.147 -6.971 1.00 0.14 C ATOM 549 CG1 VAL A 39 76.596 -0.451 -8.313 1.00 0.15 C ATOM 550 CG2 VAL A 39 75.715 -0.807 -6.006 1.00 0.17 C ATOM 0 H VAL A 39 74.987 -3.297 -6.494 1.00 0.12 H new ATOM 0 HA VAL A 39 77.487 -2.904 -8.091 1.00 0.13 H new ATOM 0 HB VAL A 39 77.802 -0.806 -6.551 1.00 0.14 H new ATOM 0 HG11 VAL A 39 76.547 0.627 -8.160 1.00 0.15 H new ATOM 0 HG12 VAL A 39 77.405 -0.683 -9.006 1.00 0.15 H new ATOM 0 HG13 VAL A 39 75.651 -0.802 -8.728 1.00 0.15 H new ATOM 0 HG21 VAL A 39 75.673 0.272 -5.858 1.00 0.17 H new ATOM 0 HG22 VAL A 39 74.770 -1.153 -6.424 1.00 0.17 H new ATOM 0 HG23 VAL A 39 75.890 -1.298 -5.048 1.00 0.17 H new ATOM 560 N ILE A 40 77.045 -4.215 -5.246 1.00 0.14 N ATOM 561 CA ILE A 40 77.776 -4.885 -4.094 1.00 0.15 C ATOM 562 C ILE A 40 77.915 -6.401 -4.308 1.00 0.13 C ATOM 563 O ILE A 40 76.993 -7.078 -4.715 1.00 0.13 O ATOM 564 CB ILE A 40 77.045 -4.625 -2.773 1.00 0.17 C ATOM 565 CG1 ILE A 40 77.062 -3.121 -2.477 1.00 0.24 C ATOM 566 CG2 ILE A 40 77.768 -5.353 -1.630 1.00 0.17 C ATOM 567 CD1 ILE A 40 76.023 -2.791 -1.406 1.00 0.27 C ATOM 0 H ILE A 40 76.070 -4.491 -5.360 1.00 0.14 H new ATOM 0 HA ILE A 40 78.776 -4.452 -4.054 1.00 0.15 H new ATOM 0 HB ILE A 40 76.020 -4.986 -2.853 1.00 0.17 H new ATOM 0 HG12 ILE A 40 78.054 -2.819 -2.140 1.00 0.24 H new ATOM 0 HG13 ILE A 40 76.850 -2.560 -3.387 1.00 0.24 H new ATOM 0 HG21 ILE A 40 77.246 -5.166 -0.692 1.00 0.17 H new ATOM 0 HG22 ILE A 40 77.781 -6.424 -1.831 1.00 0.17 H new ATOM 0 HG23 ILE A 40 78.792 -4.986 -1.555 1.00 0.17 H new ATOM 0 HD11 ILE A 40 76.040 -1.721 -1.200 1.00 0.27 H new ATOM 0 HD12 ILE A 40 75.032 -3.077 -1.760 1.00 0.27 H new ATOM 0 HD13 ILE A 40 76.255 -3.340 -0.493 1.00 0.27 H new ATOM 579 N GLU A 41 79.092 -6.923 -4.018 1.00 0.14 N ATOM 580 CA GLU A 41 79.366 -8.398 -4.172 1.00 0.13 C ATOM 581 C GLU A 41 79.913 -8.952 -2.857 1.00 0.12 C ATOM 582 O GLU A 41 80.544 -8.248 -2.100 1.00 0.12 O ATOM 583 CB GLU A 41 80.436 -8.618 -5.252 1.00 0.16 C ATOM 584 CG GLU A 41 80.760 -10.114 -5.379 1.00 0.19 C ATOM 585 CD GLU A 41 81.692 -10.330 -6.568 1.00 0.24 C ATOM 586 OE1 GLU A 41 82.054 -9.349 -7.195 1.00 0.33 O ATOM 587 OE2 GLU A 41 82.022 -11.473 -6.838 1.00 0.30 O ATOM 0 H GLU A 41 79.886 -6.381 -3.676 1.00 0.14 H new ATOM 0 HA GLU A 41 78.439 -8.900 -4.448 1.00 0.13 H new ATOM 0 HB2 GLU A 41 80.083 -8.232 -6.208 1.00 0.16 H new ATOM 0 HB3 GLU A 41 81.339 -8.063 -4.998 1.00 0.16 H new ATOM 0 HG2 GLU A 41 81.230 -10.475 -4.464 1.00 0.19 H new ATOM 0 HG3 GLU A 41 79.842 -10.686 -5.513 1.00 0.19 H new ATOM 594 N ASN A 42 79.725 -10.224 -2.602 1.00 0.12 N ATOM 595 CA ASN A 42 80.272 -10.856 -1.365 1.00 0.12 C ATOM 596 C ASN A 42 81.574 -11.563 -1.747 1.00 0.12 C ATOM 597 O ASN A 42 81.570 -12.480 -2.543 1.00 0.12 O ATOM 598 CB ASN A 42 79.262 -11.881 -0.840 1.00 0.14 C ATOM 599 CG ASN A 42 79.790 -12.515 0.449 1.00 0.14 C ATOM 600 OD1 ASN A 42 80.794 -12.087 0.986 1.00 0.19 O ATOM 601 ND2 ASN A 42 79.149 -13.525 0.973 1.00 0.27 N ATOM 0 H ASN A 42 79.207 -10.859 -3.210 1.00 0.12 H new ATOM 0 HA ASN A 42 80.456 -10.111 -0.591 1.00 0.12 H new ATOM 0 HB2 ASN A 42 78.303 -11.397 -0.652 1.00 0.14 H new ATOM 0 HB3 ASN A 42 79.088 -12.652 -1.591 1.00 0.14 H new ATOM 0 HD21 ASN A 42 79.490 -13.955 1.833 1.00 0.27 H new ATOM 0 HD22 ASN A 42 78.307 -13.884 0.523 1.00 0.27 H new ATOM 608 N VAL A 43 82.689 -11.148 -1.191 1.00 0.12 N ATOM 609 CA VAL A 43 83.998 -11.799 -1.531 1.00 0.14 C ATOM 610 C VAL A 43 84.516 -12.575 -0.317 1.00 0.13 C ATOM 611 O VAL A 43 85.086 -12.031 0.607 1.00 0.13 O ATOM 612 CB VAL A 43 85.015 -10.715 -1.938 1.00 0.16 C ATOM 613 CG1 VAL A 43 86.431 -11.308 -1.984 1.00 0.21 C ATOM 614 CG2 VAL A 43 84.652 -10.155 -3.328 1.00 0.22 C ATOM 0 H VAL A 43 82.750 -10.386 -0.516 1.00 0.12 H new ATOM 0 HA VAL A 43 83.859 -12.492 -2.361 1.00 0.14 H new ATOM 0 HB VAL A 43 84.986 -9.913 -1.201 1.00 0.16 H new ATOM 0 HG11 VAL A 43 87.141 -10.533 -2.273 1.00 0.21 H new ATOM 0 HG12 VAL A 43 86.696 -11.694 -1.000 1.00 0.21 H new ATOM 0 HG13 VAL A 43 86.463 -12.118 -2.712 1.00 0.21 H new ATOM 0 HG21 VAL A 43 85.374 -9.389 -3.611 1.00 0.22 H new ATOM 0 HG22 VAL A 43 84.671 -10.961 -4.061 1.00 0.22 H new ATOM 0 HG23 VAL A 43 83.654 -9.718 -3.295 1.00 0.22 H new ATOM 624 N ASP A 44 84.328 -13.858 -0.349 1.00 0.13 N ATOM 625 CA ASP A 44 84.801 -14.749 0.744 1.00 0.14 C ATOM 626 C ASP A 44 84.442 -14.183 2.122 1.00 0.13 C ATOM 627 O ASP A 44 85.211 -14.304 3.055 1.00 0.14 O ATOM 628 CB ASP A 44 86.318 -14.917 0.631 1.00 0.16 C ATOM 629 CG ASP A 44 86.767 -16.106 1.485 1.00 0.17 C ATOM 630 OD1 ASP A 44 86.021 -16.490 2.370 1.00 0.16 O ATOM 631 OD2 ASP A 44 87.853 -16.609 1.240 1.00 0.23 O ATOM 0 H ASP A 44 83.852 -14.343 -1.109 1.00 0.13 H new ATOM 0 HA ASP A 44 84.307 -15.715 0.642 1.00 0.14 H new ATOM 0 HB2 ASP A 44 86.600 -15.076 -0.410 1.00 0.16 H new ATOM 0 HB3 ASP A 44 86.821 -14.008 0.962 1.00 0.16 H new ATOM 636 N GLY A 45 83.277 -13.589 2.268 1.00 0.14 N ATOM 637 CA GLY A 45 82.865 -13.045 3.608 1.00 0.16 C ATOM 638 C GLY A 45 82.799 -11.511 3.644 1.00 0.14 C ATOM 639 O GLY A 45 82.335 -10.960 4.622 1.00 0.13 O ATOM 0 H GLY A 45 82.596 -13.457 1.520 1.00 0.14 H new ATOM 0 HA2 GLY A 45 81.889 -13.451 3.873 1.00 0.16 H new ATOM 0 HA3 GLY A 45 83.569 -13.390 4.365 1.00 0.16 H new ATOM 643 N SER A 46 83.288 -10.795 2.651 1.00 0.14 N ATOM 644 CA SER A 46 83.277 -9.288 2.726 1.00 0.14 C ATOM 645 C SER A 46 82.525 -8.661 1.550 1.00 0.13 C ATOM 646 O SER A 46 82.623 -9.101 0.423 1.00 0.15 O ATOM 647 CB SER A 46 84.721 -8.786 2.718 1.00 0.16 C ATOM 648 OG SER A 46 84.751 -7.439 3.173 1.00 1.34 O ATOM 0 H SER A 46 83.691 -11.183 1.798 1.00 0.14 H new ATOM 0 HA SER A 46 82.764 -8.998 3.643 1.00 0.14 H new ATOM 0 HB2 SER A 46 85.340 -9.413 3.360 1.00 0.16 H new ATOM 0 HB3 SER A 46 85.136 -8.852 1.712 1.00 0.16 H new ATOM 0 HG SER A 46 85.675 -7.114 3.171 1.00 1.34 H new ATOM 654 N LEU A 47 81.803 -7.604 1.816 1.00 0.12 N ATOM 655 CA LEU A 47 81.057 -6.892 0.740 1.00 0.12 C ATOM 656 C LEU A 47 82.025 -6.008 -0.056 1.00 0.13 C ATOM 657 O LEU A 47 82.781 -5.239 0.507 1.00 0.15 O ATOM 658 CB LEU A 47 79.982 -6.006 1.375 1.00 0.14 C ATOM 659 CG LEU A 47 79.046 -6.857 2.237 1.00 0.15 C ATOM 660 CD1 LEU A 47 78.012 -5.942 2.896 1.00 0.25 C ATOM 661 CD2 LEU A 47 78.334 -7.904 1.365 1.00 0.25 C ATOM 0 H LEU A 47 81.698 -7.200 2.747 1.00 0.12 H new ATOM 0 HA LEU A 47 80.595 -7.621 0.075 1.00 0.12 H new ATOM 0 HB2 LEU A 47 80.449 -5.233 1.985 1.00 0.14 H new ATOM 0 HB3 LEU A 47 79.412 -5.497 0.598 1.00 0.14 H new ATOM 0 HG LEU A 47 79.624 -7.375 3.003 1.00 0.15 H new ATOM 0 HD11 LEU A 47 77.339 -6.538 3.513 1.00 0.25 H new ATOM 0 HD12 LEU A 47 78.521 -5.207 3.520 1.00 0.25 H new ATOM 0 HD13 LEU A 47 77.438 -5.428 2.125 1.00 0.25 H new ATOM 0 HD21 LEU A 47 77.670 -8.505 1.987 1.00 0.25 H new ATOM 0 HD22 LEU A 47 77.751 -7.400 0.594 1.00 0.25 H new ATOM 0 HD23 LEU A 47 79.075 -8.551 0.895 1.00 0.25 H new ATOM 673 N LYS A 48 81.997 -6.117 -1.369 1.00 0.13 N ATOM 674 CA LYS A 48 82.910 -5.290 -2.236 1.00 0.16 C ATOM 675 C LYS A 48 82.066 -4.529 -3.267 1.00 0.15 C ATOM 676 O LYS A 48 80.945 -4.886 -3.534 1.00 0.14 O ATOM 677 CB LYS A 48 83.910 -6.202 -2.970 1.00 0.21 C ATOM 678 CG LYS A 48 84.865 -6.881 -1.971 1.00 0.28 C ATOM 679 CD LYS A 48 85.937 -5.893 -1.490 1.00 0.87 C ATOM 680 CE LYS A 48 86.954 -6.628 -0.616 1.00 1.19 C ATOM 681 NZ LYS A 48 88.044 -5.686 -0.235 1.00 1.84 N ATOM 0 H LYS A 48 81.378 -6.746 -1.880 1.00 0.13 H new ATOM 0 HA LYS A 48 83.462 -4.587 -1.612 1.00 0.16 H new ATOM 0 HB2 LYS A 48 83.370 -6.960 -3.536 1.00 0.21 H new ATOM 0 HB3 LYS A 48 84.484 -5.616 -3.688 1.00 0.21 H new ATOM 0 HG2 LYS A 48 84.300 -7.257 -1.118 1.00 0.28 H new ATOM 0 HG3 LYS A 48 85.341 -7.741 -2.442 1.00 0.28 H new ATOM 0 HD2 LYS A 48 86.438 -5.439 -2.345 1.00 0.87 H new ATOM 0 HD3 LYS A 48 85.474 -5.084 -0.925 1.00 0.87 H new ATOM 0 HE2 LYS A 48 86.468 -7.021 0.277 1.00 1.19 H new ATOM 0 HE3 LYS A 48 87.366 -7.481 -1.155 1.00 1.19 H new ATOM 0 HZ1 LYS A 48 88.739 -6.181 0.360 1.00 1.84 H new ATOM 0 HZ2 LYS A 48 88.513 -5.332 -1.093 1.00 1.84 H new ATOM 0 HZ3 LYS A 48 87.642 -4.886 0.295 1.00 1.84 H new ATOM 695 N TRP A 49 82.599 -3.482 -3.842 1.00 0.14 N ATOM 696 CA TRP A 49 81.810 -2.684 -4.842 1.00 0.13 C ATOM 697 C TRP A 49 81.738 -3.394 -6.207 1.00 0.13 C ATOM 698 O TRP A 49 82.509 -3.098 -7.099 1.00 0.13 O ATOM 699 CB TRP A 49 82.486 -1.313 -5.037 1.00 0.13 C ATOM 700 CG TRP A 49 82.174 -0.432 -3.872 1.00 0.13 C ATOM 701 CD1 TRP A 49 83.062 -0.033 -2.930 1.00 0.14 C ATOM 702 CD2 TRP A 49 80.896 0.151 -3.505 1.00 0.15 C ATOM 703 NE1 TRP A 49 82.403 0.761 -2.006 1.00 0.14 N ATOM 704 CE2 TRP A 49 81.066 0.904 -2.321 1.00 0.15 C ATOM 705 CE3 TRP A 49 79.614 0.098 -4.082 1.00 0.18 C ATOM 706 CZ2 TRP A 49 80.003 1.584 -1.735 1.00 0.17 C ATOM 707 CZ3 TRP A 49 78.540 0.781 -3.491 1.00 0.21 C ATOM 708 CH2 TRP A 49 78.735 1.524 -2.319 1.00 0.20 C ATOM 0 H TRP A 49 83.544 -3.142 -3.666 1.00 0.14 H new ATOM 0 HA TRP A 49 80.796 -2.571 -4.458 1.00 0.13 H new ATOM 0 HB2 TRP A 49 83.565 -1.438 -5.133 1.00 0.13 H new ATOM 0 HB3 TRP A 49 82.135 -0.851 -5.960 1.00 0.13 H new ATOM 0 HD1 TRP A 49 84.110 -0.291 -2.904 1.00 0.14 H new ATOM 0 HE1 TRP A 49 82.850 1.187 -1.194 1.00 0.14 H new ATOM 0 HE3 TRP A 49 79.455 -0.472 -4.986 1.00 0.18 H new ATOM 0 HZ2 TRP A 49 80.157 2.156 -0.832 1.00 0.17 H new ATOM 0 HZ3 TRP A 49 77.559 0.734 -3.941 1.00 0.21 H new ATOM 0 HH2 TRP A 49 77.906 2.050 -1.868 1.00 0.20 H new ATOM 719 N GLN A 50 80.823 -4.319 -6.388 1.00 0.12 N ATOM 720 CA GLN A 50 80.718 -5.026 -7.707 1.00 0.13 C ATOM 721 C GLN A 50 79.368 -5.789 -7.762 1.00 0.12 C ATOM 722 O GLN A 50 78.959 -6.366 -6.779 1.00 0.13 O ATOM 723 CB GLN A 50 81.890 -6.016 -7.820 1.00 0.16 C ATOM 724 CG GLN A 50 82.134 -6.409 -9.277 1.00 0.26 C ATOM 725 CD GLN A 50 83.429 -7.213 -9.373 1.00 1.10 C ATOM 726 OE1 GLN A 50 84.171 -7.080 -10.326 1.00 1.88 O ATOM 727 NE2 GLN A 50 83.735 -8.048 -8.419 1.00 1.92 N ATOM 0 H GLN A 50 80.147 -4.614 -5.683 1.00 0.12 H new ATOM 0 HA GLN A 50 80.759 -4.315 -8.532 1.00 0.13 H new ATOM 0 HB2 GLN A 50 82.792 -5.567 -7.404 1.00 0.16 H new ATOM 0 HB3 GLN A 50 81.677 -6.907 -7.230 1.00 0.16 H new ATOM 0 HG2 GLN A 50 81.298 -6.999 -9.651 1.00 0.26 H new ATOM 0 HG3 GLN A 50 82.199 -5.517 -9.900 1.00 0.26 H new ATOM 0 HE21 GLN A 50 83.112 -8.159 -7.619 1.00 1.92 H new ATOM 0 HE22 GLN A 50 84.598 -8.590 -8.473 1.00 1.92 H new ATOM 736 N PRO A 51 78.662 -5.797 -8.886 1.00 0.11 N ATOM 737 CA PRO A 51 77.345 -6.521 -8.990 1.00 0.11 C ATOM 738 C PRO A 51 77.480 -8.040 -8.777 1.00 0.12 C ATOM 739 O PRO A 51 78.454 -8.644 -9.179 1.00 0.14 O ATOM 740 CB PRO A 51 76.859 -6.219 -10.425 1.00 0.13 C ATOM 741 CG PRO A 51 78.079 -5.791 -11.179 1.00 0.15 C ATOM 742 CD PRO A 51 79.003 -5.125 -10.160 1.00 0.14 C ATOM 0 HA PRO A 51 76.652 -6.189 -8.217 1.00 0.11 H new ATOM 0 HB2 PRO A 51 76.406 -7.100 -10.879 1.00 0.13 H new ATOM 0 HB3 PRO A 51 76.102 -5.435 -10.426 1.00 0.13 H new ATOM 0 HG2 PRO A 51 78.567 -6.646 -11.646 1.00 0.15 H new ATOM 0 HG3 PRO A 51 77.818 -5.098 -11.979 1.00 0.15 H new ATOM 0 HD2 PRO A 51 80.052 -5.266 -10.419 1.00 0.14 H new ATOM 0 HD3 PRO A 51 78.830 -4.050 -10.105 1.00 0.14 H new ATOM 750 N SER A 52 76.501 -8.659 -8.156 1.00 0.11 N ATOM 751 CA SER A 52 76.572 -10.138 -7.932 1.00 0.12 C ATOM 752 C SER A 52 75.436 -10.591 -7.000 1.00 0.15 C ATOM 753 O SER A 52 75.412 -11.719 -6.551 1.00 0.32 O ATOM 754 CB SER A 52 77.925 -10.487 -7.302 1.00 0.12 C ATOM 755 OG SER A 52 77.757 -11.514 -6.332 1.00 0.29 O ATOM 0 H SER A 52 75.661 -8.206 -7.797 1.00 0.11 H new ATOM 0 HA SER A 52 76.466 -10.651 -8.888 1.00 0.12 H new ATOM 0 HB2 SER A 52 78.622 -10.814 -8.074 1.00 0.12 H new ATOM 0 HB3 SER A 52 78.358 -9.602 -6.836 1.00 0.12 H new ATOM 0 HG SER A 52 77.039 -12.118 -6.616 1.00 0.29 H new ATOM 761 N ASN A 53 74.495 -9.734 -6.715 1.00 0.16 N ATOM 762 CA ASN A 53 73.361 -10.132 -5.827 1.00 0.16 C ATOM 763 C ASN A 53 73.881 -10.551 -4.442 1.00 0.10 C ATOM 764 O ASN A 53 73.704 -11.673 -4.017 1.00 0.12 O ATOM 765 CB ASN A 53 72.605 -11.301 -6.473 1.00 0.23 C ATOM 766 CG ASN A 53 71.197 -11.404 -5.875 1.00 0.28 C ATOM 767 OD1 ASN A 53 70.820 -10.610 -5.038 1.00 0.27 O ATOM 768 ND2 ASN A 53 70.401 -12.359 -6.275 1.00 0.48 N ATOM 0 H ASN A 53 74.460 -8.774 -7.058 1.00 0.16 H new ATOM 0 HA ASN A 53 72.691 -9.281 -5.700 1.00 0.16 H new ATOM 0 HB2 ASN A 53 72.542 -11.154 -7.551 1.00 0.23 H new ATOM 0 HB3 ASN A 53 73.148 -12.232 -6.310 1.00 0.23 H new ATOM 0 HD21 ASN A 53 69.462 -12.438 -5.884 1.00 0.48 H new ATOM 0 HD22 ASN A 53 70.718 -13.026 -6.978 1.00 0.48 H new ATOM 775 N PHE A 54 74.529 -9.657 -3.741 1.00 0.09 N ATOM 776 CA PHE A 54 75.075 -10.007 -2.388 1.00 0.09 C ATOM 777 C PHE A 54 73.947 -10.435 -1.437 1.00 0.09 C ATOM 778 O PHE A 54 74.090 -11.357 -0.656 1.00 0.14 O ATOM 779 CB PHE A 54 75.808 -8.790 -1.791 1.00 0.11 C ATOM 780 CG PHE A 54 74.818 -7.782 -1.225 1.00 0.10 C ATOM 781 CD1 PHE A 54 74.228 -6.818 -2.056 1.00 0.12 C ATOM 782 CD2 PHE A 54 74.499 -7.816 0.143 1.00 0.11 C ATOM 783 CE1 PHE A 54 73.320 -5.889 -1.518 1.00 0.13 C ATOM 784 CE2 PHE A 54 73.592 -6.889 0.676 1.00 0.12 C ATOM 785 CZ PHE A 54 73.004 -5.926 -0.154 1.00 0.12 C ATOM 0 H PHE A 54 74.706 -8.699 -4.044 1.00 0.09 H new ATOM 0 HA PHE A 54 75.770 -10.838 -2.505 1.00 0.09 H new ATOM 0 HB2 PHE A 54 76.487 -9.120 -1.005 1.00 0.11 H new ATOM 0 HB3 PHE A 54 76.417 -8.315 -2.560 1.00 0.11 H new ATOM 0 HD1 PHE A 54 74.471 -6.789 -3.108 1.00 0.12 H new ATOM 0 HD2 PHE A 54 74.953 -8.557 0.785 1.00 0.11 H new ATOM 0 HE1 PHE A 54 72.866 -5.146 -2.157 1.00 0.13 H new ATOM 0 HE2 PHE A 54 73.347 -6.918 1.727 1.00 0.12 H new ATOM 0 HZ PHE A 54 72.307 -5.212 0.258 1.00 0.12 H new ATOM 795 N ILE A 55 72.837 -9.756 -1.478 1.00 11.77 N ATOM 796 CA ILE A 55 71.722 -10.107 -0.561 1.00 13.68 C ATOM 797 C ILE A 55 71.354 -11.582 -0.739 1.00 0.11 C ATOM 798 O ILE A 55 70.718 -12.181 0.104 1.00 0.12 O ATOM 799 CB ILE A 55 70.533 -9.174 -0.833 1.00 15.58 C ATOM 800 CG1 ILE A 55 69.291 -9.634 -0.057 1.00 16.46 C ATOM 801 CG2 ILE A 55 70.218 -9.097 -2.326 1.00 20.33 C ATOM 802 CD1 ILE A 55 69.598 -9.659 1.443 1.00 19.63 C ATOM 0 H ILE A 55 72.654 -8.974 -2.107 1.00 11.77 H new ATOM 0 HA ILE A 55 72.023 -9.970 0.478 1.00 13.68 H new ATOM 0 HB ILE A 55 70.813 -8.178 -0.491 1.00 15.58 H new ATOM 0 HG12 ILE A 55 68.457 -8.961 -0.256 1.00 16.46 H new ATOM 0 HG13 ILE A 55 68.988 -10.626 -0.392 1.00 16.46 H new ATOM 0 HG21 ILE A 55 69.372 -8.429 -2.485 1.00 20.33 H new ATOM 0 HG22 ILE A 55 71.087 -8.716 -2.862 1.00 20.33 H new ATOM 0 HG23 ILE A 55 69.970 -10.091 -2.697 1.00 20.33 H new ATOM 0 HD11 ILE A 55 68.714 -9.986 1.990 1.00 19.63 H new ATOM 0 HD12 ILE A 55 70.419 -10.349 1.635 1.00 19.63 H new ATOM 0 HD13 ILE A 55 69.880 -8.659 1.773 1.00 19.63 H new ATOM 814 N GLU A 56 71.774 -12.179 -1.815 1.00 0.13 N ATOM 815 CA GLU A 56 71.473 -13.622 -2.020 1.00 0.15 C ATOM 816 C GLU A 56 72.174 -14.424 -0.917 1.00 0.13 C ATOM 817 O GLU A 56 71.700 -15.467 -0.508 1.00 0.14 O ATOM 818 CB GLU A 56 71.989 -14.074 -3.387 1.00 0.19 C ATOM 819 CG GLU A 56 71.480 -15.487 -3.684 1.00 0.23 C ATOM 820 CD GLU A 56 69.968 -15.450 -3.915 1.00 1.10 C ATOM 821 OE1 GLU A 56 69.459 -14.380 -4.206 1.00 1.62 O ATOM 822 OE2 GLU A 56 69.345 -16.491 -3.791 1.00 1.40 O ATOM 0 H GLU A 56 72.311 -11.734 -2.560 1.00 0.13 H new ATOM 0 HA GLU A 56 70.396 -13.785 -1.980 1.00 0.15 H new ATOM 0 HB2 GLU A 56 71.652 -13.384 -4.161 1.00 0.19 H new ATOM 0 HB3 GLU A 56 73.079 -14.059 -3.399 1.00 0.19 H new ATOM 0 HG2 GLU A 56 71.983 -15.888 -4.564 1.00 0.23 H new ATOM 0 HG3 GLU A 56 71.715 -16.151 -2.852 1.00 0.23 H new ATOM 829 N THR A 57 73.307 -13.953 -0.454 1.00 0.12 N ATOM 830 CA THR A 57 74.060 -14.706 0.615 1.00 0.11 C ATOM 831 C THR A 57 74.259 -13.849 1.871 1.00 0.11 C ATOM 832 O THR A 57 75.122 -14.137 2.674 1.00 0.11 O ATOM 833 CB THR A 57 75.426 -15.136 0.075 1.00 0.13 C ATOM 834 OG1 THR A 57 76.161 -13.989 -0.329 1.00 0.14 O ATOM 835 CG2 THR A 57 75.232 -16.069 -1.122 1.00 0.18 C ATOM 0 H THR A 57 73.746 -13.086 -0.764 1.00 0.12 H new ATOM 0 HA THR A 57 73.471 -15.581 0.888 1.00 0.11 H new ATOM 0 HB THR A 57 75.976 -15.660 0.857 1.00 0.13 H new ATOM 0 HG1 THR A 57 76.871 -14.257 -0.948 1.00 0.14 H new ATOM 0 HG21 THR A 57 76.205 -16.375 -1.506 1.00 0.18 H new ATOM 0 HG22 THR A 57 74.672 -16.950 -0.809 1.00 0.18 H new ATOM 0 HG23 THR A 57 74.681 -15.547 -1.904 1.00 0.18 H new ATOM 843 N CYS A 58 73.483 -12.804 2.066 1.00 0.10 N ATOM 844 CA CYS A 58 73.651 -11.956 3.297 1.00 0.11 C ATOM 845 C CYS A 58 72.287 -11.707 3.951 1.00 0.10 C ATOM 846 O CYS A 58 71.254 -11.797 3.320 1.00 0.10 O ATOM 847 CB CYS A 58 74.309 -10.625 2.920 1.00 0.11 C ATOM 848 SG CYS A 58 75.954 -10.944 2.228 1.00 0.12 S ATOM 0 H CYS A 58 72.745 -12.502 1.430 1.00 0.10 H new ATOM 0 HA CYS A 58 74.290 -12.478 4.009 1.00 0.11 H new ATOM 0 HB2 CYS A 58 73.693 -10.095 2.194 1.00 0.11 H new ATOM 0 HB3 CYS A 58 74.389 -9.984 3.798 1.00 0.11 H new ATOM 853 N ARG A 59 72.281 -11.456 5.236 1.00 0.11 N ATOM 854 CA ARG A 59 70.992 -11.257 5.969 1.00 0.11 C ATOM 855 C ARG A 59 71.128 -10.159 7.034 1.00 0.12 C ATOM 856 O ARG A 59 72.191 -9.612 7.255 1.00 0.12 O ATOM 857 CB ARG A 59 70.619 -12.568 6.661 1.00 0.12 C ATOM 858 CG ARG A 59 71.730 -12.953 7.640 1.00 0.15 C ATOM 859 CD ARG A 59 71.485 -14.368 8.165 1.00 0.17 C ATOM 860 NE ARG A 59 72.564 -14.746 9.119 1.00 0.25 N ATOM 861 CZ ARG A 59 72.380 -15.741 9.943 1.00 0.30 C ATOM 862 NH1 ARG A 59 71.248 -16.392 9.937 1.00 0.31 N ATOM 863 NH2 ARG A 59 73.325 -16.082 10.776 1.00 0.39 N ATOM 0 H ARG A 59 73.119 -11.380 5.813 1.00 0.11 H new ATOM 0 HA ARG A 59 70.224 -10.957 5.256 1.00 0.11 H new ATOM 0 HB2 ARG A 59 69.673 -12.457 7.191 1.00 0.12 H new ATOM 0 HB3 ARG A 59 70.480 -13.357 5.922 1.00 0.12 H new ATOM 0 HG2 ARG A 59 72.699 -12.901 7.144 1.00 0.15 H new ATOM 0 HG3 ARG A 59 71.758 -12.246 8.470 1.00 0.15 H new ATOM 0 HD2 ARG A 59 70.515 -14.419 8.660 1.00 0.17 H new ATOM 0 HD3 ARG A 59 71.457 -15.074 7.335 1.00 0.17 H new ATOM 0 HE ARG A 59 73.443 -14.229 9.128 1.00 0.25 H new ATOM 0 HH11 ARG A 59 70.508 -16.123 9.288 1.00 0.31 H new ATOM 0 HH12 ARG A 59 71.104 -17.170 10.581 1.00 0.31 H new ATOM 0 HH21 ARG A 59 74.208 -15.571 10.783 1.00 0.39 H new ATOM 0 HH22 ARG A 59 73.181 -16.860 11.420 1.00 0.39 H new ATOM 877 N ASN A 60 70.046 -9.858 7.710 1.00 0.12 N ATOM 878 CA ASN A 60 70.071 -8.824 8.790 1.00 0.13 C ATOM 879 C ASN A 60 70.796 -7.559 8.320 1.00 0.12 C ATOM 880 O ASN A 60 71.650 -7.039 9.010 1.00 0.13 O ATOM 881 CB ASN A 60 70.776 -9.386 10.027 1.00 0.13 C ATOM 882 CG ASN A 60 70.549 -8.454 11.221 1.00 0.18 C ATOM 883 OD1 ASN A 60 69.710 -7.576 11.171 1.00 1.08 O ATOM 884 ND2 ASN A 60 71.268 -8.611 12.300 1.00 1.14 N ATOM 0 H ASN A 60 69.135 -10.291 7.557 1.00 0.12 H new ATOM 0 HA ASN A 60 69.042 -8.563 9.038 1.00 0.13 H new ATOM 0 HB2 ASN A 60 70.395 -10.382 10.253 1.00 0.13 H new ATOM 0 HB3 ASN A 60 71.844 -9.490 9.833 1.00 0.13 H new ATOM 0 HD21 ASN A 60 71.126 -7.997 13.102 1.00 1.14 H new ATOM 0 HD22 ASN A 60 71.972 -9.348 12.341 1.00 1.14 H new ATOM 891 N THR A 61 70.448 -7.036 7.176 1.00 0.12 N ATOM 892 CA THR A 61 71.111 -5.781 6.720 1.00 0.12 C ATOM 893 C THR A 61 70.533 -4.611 7.518 1.00 0.11 C ATOM 894 O THR A 61 69.333 -4.481 7.661 1.00 0.11 O ATOM 895 CB THR A 61 70.846 -5.543 5.232 1.00 0.14 C ATOM 896 OG1 THR A 61 69.450 -5.615 4.975 1.00 0.22 O ATOM 897 CG2 THR A 61 71.581 -6.585 4.382 1.00 0.24 C ATOM 0 H THR A 61 69.743 -7.417 6.545 1.00 0.12 H new ATOM 0 HA THR A 61 72.186 -5.866 6.877 1.00 0.12 H new ATOM 0 HB THR A 61 71.214 -4.552 4.967 1.00 0.14 H new ATOM 0 HG1 THR A 61 69.226 -5.035 4.218 1.00 0.22 H new ATOM 0 HG21 THR A 61 71.381 -6.400 3.327 1.00 0.24 H new ATOM 0 HG22 THR A 61 72.653 -6.514 4.566 1.00 0.24 H new ATOM 0 HG23 THR A 61 71.232 -7.583 4.648 1.00 0.24 H new ATOM 905 N GLN A 62 71.372 -3.752 8.041 1.00 9.83 N ATOM 906 CA GLN A 62 70.860 -2.586 8.830 1.00 11.89 C ATOM 907 C GLN A 62 71.775 -1.381 8.618 1.00 11.16 C ATOM 908 O GLN A 62 72.875 -1.502 8.117 1.00 9.58 O ATOM 909 CB GLN A 62 70.841 -2.937 10.324 1.00 13.81 C ATOM 910 CG GLN A 62 69.758 -3.982 10.605 1.00 19.41 C ATOM 911 CD GLN A 62 69.733 -4.301 12.104 1.00 22.33 C ATOM 912 OE1 GLN A 62 70.375 -5.347 12.550 1.00 28.20 O flip ATOM 913 NE2 GLN A 62 69.122 -3.592 12.876 1.00 24.17 N flip ATOM 0 H GLN A 62 72.387 -3.806 7.957 1.00 9.83 H new ATOM 0 HA GLN A 62 69.850 -2.349 8.495 1.00 11.89 H new ATOM 0 HB2 GLN A 62 71.815 -3.321 10.628 1.00 13.81 H new ATOM 0 HB3 GLN A 62 70.654 -2.040 10.914 1.00 13.81 H new ATOM 0 HG2 GLN A 62 68.785 -3.608 10.286 1.00 19.41 H new ATOM 0 HG3 GLN A 62 69.955 -4.888 10.033 1.00 19.41 H new ATOM 0 HE21 GLN A 62 68.620 -2.775 12.529 1.00 24.17 H new ATOM 0 HE22 GLN A 62 69.110 -3.813 13.872 1.00 24.17 H new ATOM 922 N LEU A 63 71.327 -0.215 9.001 1.00 0.12 N ATOM 923 CA LEU A 63 72.166 1.005 8.836 1.00 0.13 C ATOM 924 C LEU A 63 73.083 1.137 10.053 1.00 0.13 C ATOM 925 O LEU A 63 72.639 1.098 11.184 1.00 0.14 O ATOM 926 CB LEU A 63 71.243 2.231 8.728 1.00 0.15 C ATOM 927 CG LEU A 63 72.055 3.526 8.534 1.00 0.18 C ATOM 928 CD1 LEU A 63 72.597 3.610 7.102 1.00 0.18 C ATOM 929 CD2 LEU A 63 71.146 4.728 8.797 1.00 0.21 C ATOM 0 H LEU A 63 70.412 -0.056 9.423 1.00 0.12 H new ATOM 0 HA LEU A 63 72.774 0.936 7.934 1.00 0.13 H new ATOM 0 HB2 LEU A 63 70.557 2.100 7.891 1.00 0.15 H new ATOM 0 HB3 LEU A 63 70.635 2.312 9.629 1.00 0.15 H new ATOM 0 HG LEU A 63 72.894 3.526 9.229 1.00 0.18 H new ATOM 0 HD11 LEU A 63 73.168 4.531 6.982 1.00 0.18 H new ATOM 0 HD12 LEU A 63 73.243 2.754 6.907 1.00 0.18 H new ATOM 0 HD13 LEU A 63 71.765 3.605 6.397 1.00 0.18 H new ATOM 0 HD21 LEU A 63 71.713 5.649 8.662 1.00 0.21 H new ATOM 0 HD22 LEU A 63 70.309 4.711 8.099 1.00 0.21 H new ATOM 0 HD23 LEU A 63 70.767 4.681 9.818 1.00 0.21 H new ATOM 941 N ALA A 64 74.365 1.294 9.824 1.00 0.12 N ATOM 942 CA ALA A 64 75.338 1.432 10.954 1.00 0.14 C ATOM 943 C ALA A 64 76.049 2.780 10.845 1.00 0.14 C ATOM 944 O ALA A 64 76.561 3.138 9.804 1.00 0.15 O ATOM 945 CB ALA A 64 76.381 0.319 10.854 1.00 0.14 C ATOM 0 H ALA A 64 74.782 1.333 8.894 1.00 0.12 H new ATOM 0 HA ALA A 64 74.807 1.366 11.904 1.00 0.14 H new ATOM 0 HB1 ALA A 64 77.093 0.413 11.674 1.00 0.14 H new ATOM 0 HB2 ALA A 64 75.886 -0.650 10.913 1.00 0.14 H new ATOM 0 HB3 ALA A 64 76.909 0.399 9.904 1.00 0.14 H new ATOM 951 N GLY A 65 76.099 3.526 11.911 1.00 0.16 N ATOM 952 CA GLY A 65 76.805 4.840 11.870 1.00 0.17 C ATOM 953 C GLY A 65 76.070 5.819 10.947 1.00 0.17 C ATOM 954 O GLY A 65 74.866 5.767 10.791 1.00 0.17 O ATOM 0 H GLY A 65 75.682 3.285 12.810 1.00 0.16 H new ATOM 0 HA2 GLY A 65 76.868 5.257 12.875 1.00 0.17 H new ATOM 0 HA3 GLY A 65 77.827 4.699 11.519 1.00 0.17 H new ATOM 958 N SER A 66 76.802 6.720 10.351 1.00 0.18 N ATOM 959 CA SER A 66 76.190 7.735 9.444 1.00 0.18 C ATOM 960 C SER A 66 76.191 7.248 7.992 1.00 0.17 C ATOM 961 O SER A 66 75.255 7.491 7.254 1.00 0.16 O ATOM 962 CB SER A 66 77.012 9.020 9.528 1.00 0.21 C ATOM 963 OG SER A 66 78.271 8.812 8.902 1.00 1.19 O ATOM 0 H SER A 66 77.814 6.798 10.455 1.00 0.18 H new ATOM 0 HA SER A 66 75.159 7.906 9.754 1.00 0.18 H new ATOM 0 HB2 SER A 66 76.481 9.838 9.041 1.00 0.21 H new ATOM 0 HB3 SER A 66 77.154 9.308 10.570 1.00 0.21 H new ATOM 0 HG SER A 66 78.801 9.635 8.952 1.00 1.19 H new ATOM 969 N SER A 67 77.250 6.603 7.560 1.00 0.17 N ATOM 970 CA SER A 67 77.327 6.153 6.129 1.00 0.17 C ATOM 971 C SER A 67 77.803 4.704 6.010 1.00 0.16 C ATOM 972 O SER A 67 78.149 4.258 4.933 1.00 0.17 O ATOM 973 CB SER A 67 78.336 7.046 5.409 1.00 0.19 C ATOM 974 OG SER A 67 79.608 6.913 6.031 1.00 0.20 O ATOM 0 H SER A 67 78.061 6.369 8.132 1.00 0.17 H new ATOM 0 HA SER A 67 76.331 6.221 5.692 1.00 0.17 H new ATOM 0 HB2 SER A 67 78.401 6.766 4.358 1.00 0.19 H new ATOM 0 HB3 SER A 67 78.009 8.085 5.443 1.00 0.19 H new ATOM 0 HG SER A 67 80.229 7.568 5.649 1.00 0.20 H new ATOM 980 N GLU A 68 77.866 3.964 7.090 1.00 0.15 N ATOM 981 CA GLU A 68 78.370 2.554 7.004 1.00 0.15 C ATOM 982 C GLU A 68 77.210 1.553 6.982 1.00 0.13 C ATOM 983 O GLU A 68 76.283 1.634 7.764 1.00 0.13 O ATOM 984 CB GLU A 68 79.251 2.275 8.222 1.00 0.16 C ATOM 985 CG GLU A 68 80.529 3.112 8.131 1.00 0.22 C ATOM 986 CD GLU A 68 81.402 2.841 9.358 1.00 1.15 C ATOM 987 OE1 GLU A 68 80.918 2.197 10.274 1.00 1.77 O ATOM 988 OE2 GLU A 68 82.538 3.284 9.361 1.00 1.37 O ATOM 0 H GLU A 68 77.592 4.271 8.023 1.00 0.15 H new ATOM 0 HA GLU A 68 78.938 2.439 6.081 1.00 0.15 H new ATOM 0 HB2 GLU A 68 78.711 2.516 9.138 1.00 0.16 H new ATOM 0 HB3 GLU A 68 79.501 1.215 8.268 1.00 0.16 H new ATOM 0 HG2 GLU A 68 81.075 2.864 7.221 1.00 0.22 H new ATOM 0 HG3 GLU A 68 80.280 4.172 8.075 1.00 0.22 H new ATOM 995 N LEU A 69 77.287 0.583 6.105 1.00 0.13 N ATOM 996 CA LEU A 69 76.230 -0.475 6.016 1.00 0.12 C ATOM 997 C LEU A 69 76.792 -1.753 6.651 1.00 0.13 C ATOM 998 O LEU A 69 77.823 -2.255 6.249 1.00 0.14 O ATOM 999 CB LEU A 69 75.870 -0.691 4.530 1.00 0.14 C ATOM 1000 CG LEU A 69 75.221 -2.069 4.288 1.00 0.14 C ATOM 1001 CD1 LEU A 69 74.083 -2.342 5.291 1.00 0.15 C ATOM 1002 CD2 LEU A 69 74.664 -2.093 2.858 1.00 0.18 C ATOM 0 H LEU A 69 78.049 0.477 5.436 1.00 0.13 H new ATOM 0 HA LEU A 69 75.322 -0.186 6.545 1.00 0.12 H new ATOM 0 HB2 LEU A 69 75.187 0.094 4.205 1.00 0.14 H new ATOM 0 HB3 LEU A 69 76.770 -0.602 3.922 1.00 0.14 H new ATOM 0 HG LEU A 69 75.974 -2.845 4.425 1.00 0.14 H new ATOM 0 HD11 LEU A 69 73.649 -3.322 5.091 1.00 0.15 H new ATOM 0 HD12 LEU A 69 74.480 -2.322 6.306 1.00 0.15 H new ATOM 0 HD13 LEU A 69 73.314 -1.576 5.187 1.00 0.15 H new ATOM 0 HD21 LEU A 69 74.200 -3.060 2.665 1.00 0.18 H new ATOM 0 HD22 LEU A 69 73.921 -1.304 2.744 1.00 0.18 H new ATOM 0 HD23 LEU A 69 75.476 -1.932 2.149 1.00 0.18 H new ATOM 1014 N ALA A 70 76.130 -2.260 7.665 1.00 0.12 N ATOM 1015 CA ALA A 70 76.617 -3.490 8.364 1.00 0.12 C ATOM 1016 C ALA A 70 75.709 -4.667 8.010 1.00 0.12 C ATOM 1017 O ALA A 70 74.505 -4.534 7.919 1.00 0.13 O ATOM 1018 CB ALA A 70 76.564 -3.236 9.873 1.00 0.15 C ATOM 0 H ALA A 70 75.266 -1.870 8.040 1.00 0.12 H new ATOM 0 HA ALA A 70 77.637 -3.723 8.058 1.00 0.12 H new ATOM 0 HB1 ALA A 70 76.915 -4.121 10.403 1.00 0.15 H new ATOM 0 HB2 ALA A 70 77.201 -2.387 10.122 1.00 0.15 H new ATOM 0 HB3 ALA A 70 75.538 -3.019 10.170 1.00 0.15 H new ATOM 1024 N ALA A 71 76.280 -5.819 7.809 1.00 0.12 N ATOM 1025 CA ALA A 71 75.458 -7.011 7.460 1.00 0.13 C ATOM 1026 C ALA A 71 76.216 -8.283 7.834 1.00 0.13 C ATOM 1027 O ALA A 71 77.400 -8.260 8.114 1.00 0.14 O ATOM 1028 CB ALA A 71 75.213 -7.067 5.952 1.00 0.15 C ATOM 0 H ALA A 71 77.284 -5.988 7.871 1.00 0.12 H new ATOM 0 HA ALA A 71 74.514 -6.937 7.999 1.00 0.13 H new ATOM 0 HB1 ALA A 71 74.611 -7.944 5.714 1.00 0.15 H new ATOM 0 HB2 ALA A 71 74.685 -6.167 5.635 1.00 0.15 H new ATOM 0 HB3 ALA A 71 76.168 -7.130 5.430 1.00 0.15 H new ATOM 1034 N GLU A 72 75.541 -9.407 7.790 1.00 0.13 N ATOM 1035 CA GLU A 72 76.196 -10.715 8.081 1.00 0.12 C ATOM 1036 C GLU A 72 76.239 -11.467 6.751 1.00 0.12 C ATOM 1037 O GLU A 72 75.246 -11.527 6.054 1.00 0.11 O ATOM 1038 CB GLU A 72 75.354 -11.490 9.103 1.00 0.14 C ATOM 1039 CG GLU A 72 75.297 -10.705 10.416 1.00 0.18 C ATOM 1040 CD GLU A 72 74.334 -11.394 11.386 1.00 0.20 C ATOM 1041 OE1 GLU A 72 73.812 -12.438 11.030 1.00 0.29 O ATOM 1042 OE2 GLU A 72 74.124 -10.859 12.464 1.00 0.36 O ATOM 0 H GLU A 72 74.549 -9.471 7.561 1.00 0.13 H new ATOM 0 HA GLU A 72 77.196 -10.590 8.497 1.00 0.12 H new ATOM 0 HB2 GLU A 72 74.347 -11.647 8.717 1.00 0.14 H new ATOM 0 HB3 GLU A 72 75.787 -12.476 9.274 1.00 0.14 H new ATOM 0 HG2 GLU A 72 76.292 -10.643 10.858 1.00 0.18 H new ATOM 0 HG3 GLU A 72 74.969 -9.683 10.226 1.00 0.18 H new ATOM 1049 N CYS A 73 77.370 -12.013 6.364 1.00 0.12 N ATOM 1050 CA CYS A 73 77.445 -12.719 5.038 1.00 0.12 C ATOM 1051 C CYS A 73 78.140 -14.073 5.154 1.00 0.12 C ATOM 1052 O CYS A 73 78.975 -14.298 6.008 1.00 0.13 O ATOM 1053 CB CYS A 73 78.211 -11.841 4.048 1.00 0.13 C ATOM 1054 SG CYS A 73 77.234 -10.358 3.681 1.00 0.14 S ATOM 0 H CYS A 73 78.237 -12.002 6.901 1.00 0.12 H new ATOM 0 HA CYS A 73 76.427 -12.895 4.690 1.00 0.12 H new ATOM 0 HB2 CYS A 73 79.177 -11.559 4.466 1.00 0.13 H new ATOM 0 HB3 CYS A 73 78.410 -12.396 3.131 1.00 0.13 H new ATOM 1059 N LYS A 74 77.766 -14.980 4.297 1.00 0.13 N ATOM 1060 CA LYS A 74 78.367 -16.341 4.329 1.00 0.13 C ATOM 1061 C LYS A 74 79.761 -16.362 3.712 1.00 0.13 C ATOM 1062 O LYS A 74 80.000 -15.859 2.632 1.00 0.13 O ATOM 1063 CB LYS A 74 77.471 -17.324 3.569 1.00 0.16 C ATOM 1064 CG LYS A 74 76.146 -17.429 4.308 1.00 0.20 C ATOM 1065 CD LYS A 74 75.257 -18.506 3.675 1.00 0.22 C ATOM 1066 CE LYS A 74 75.692 -19.900 4.147 1.00 0.30 C ATOM 1067 NZ LYS A 74 74.582 -20.866 3.917 1.00 0.38 N ATOM 0 H LYS A 74 77.065 -14.836 3.571 1.00 0.13 H new ATOM 0 HA LYS A 74 78.451 -16.635 5.375 1.00 0.13 H new ATOM 0 HB2 LYS A 74 77.310 -16.980 2.547 1.00 0.16 H new ATOM 0 HB3 LYS A 74 77.949 -18.302 3.504 1.00 0.16 H new ATOM 0 HG2 LYS A 74 76.326 -17.669 5.356 1.00 0.20 H new ATOM 0 HG3 LYS A 74 75.634 -16.467 4.285 1.00 0.20 H new ATOM 0 HD2 LYS A 74 74.215 -18.332 3.944 1.00 0.22 H new ATOM 0 HD3 LYS A 74 75.319 -18.446 2.588 1.00 0.22 H new ATOM 0 HE2 LYS A 74 76.584 -20.218 3.607 1.00 0.30 H new ATOM 0 HE3 LYS A 74 75.953 -19.873 5.205 1.00 0.30 H new ATOM 0 HZ1 LYS A 74 74.202 -21.183 4.832 1.00 0.38 H new ATOM 0 HZ2 LYS A 74 73.828 -20.404 3.370 1.00 0.38 H new ATOM 0 HZ3 LYS A 74 74.940 -21.687 3.388 1.00 0.38 H new ATOM 1081 N THR A 75 80.665 -16.989 4.401 1.00 0.13 N ATOM 1082 CA THR A 75 82.059 -17.122 3.900 1.00 0.14 C ATOM 1083 C THR A 75 82.164 -18.424 3.127 1.00 0.15 C ATOM 1084 O THR A 75 81.216 -19.178 3.019 1.00 0.15 O ATOM 1085 CB THR A 75 83.042 -17.160 5.072 1.00 0.15 C ATOM 1086 OG1 THR A 75 82.979 -18.435 5.696 1.00 0.25 O ATOM 1087 CG2 THR A 75 82.683 -16.079 6.088 1.00 0.23 C ATOM 0 H THR A 75 80.496 -17.424 5.308 1.00 0.13 H new ATOM 0 HA THR A 75 82.301 -16.271 3.263 1.00 0.14 H new ATOM 0 HB THR A 75 84.051 -16.980 4.701 1.00 0.15 H new ATOM 0 HG1 THR A 75 83.609 -18.463 6.446 1.00 0.25 H new ATOM 0 HG21 THR A 75 83.387 -16.113 6.919 1.00 0.23 H new ATOM 0 HG22 THR A 75 82.732 -15.100 5.611 1.00 0.23 H new ATOM 0 HG23 THR A 75 81.673 -16.251 6.461 1.00 0.23 H new ATOM 1095 N ARG A 76 83.304 -18.697 2.580 1.00 0.17 N ATOM 1096 CA ARG A 76 83.455 -19.949 1.812 1.00 0.19 C ATOM 1097 C ARG A 76 83.127 -21.127 2.726 1.00 0.18 C ATOM 1098 O ARG A 76 82.788 -22.196 2.258 1.00 0.19 O ATOM 1099 CB ARG A 76 84.895 -20.083 1.305 1.00 0.22 C ATOM 1100 CG ARG A 76 85.172 -18.996 0.266 1.00 0.25 C ATOM 1101 CD ARG A 76 86.589 -19.158 -0.289 1.00 0.35 C ATOM 1102 NE ARG A 76 87.579 -19.034 0.819 1.00 1.36 N ATOM 1103 CZ ARG A 76 88.823 -19.376 0.627 1.00 1.94 C ATOM 1104 NH1 ARG A 76 89.214 -19.788 -0.549 1.00 2.11 N ATOM 1105 NH2 ARG A 76 89.682 -19.293 1.606 1.00 2.94 N ATOM 0 H ARG A 76 84.136 -18.109 2.631 1.00 0.17 H new ATOM 0 HA ARG A 76 82.779 -19.937 0.957 1.00 0.19 H new ATOM 0 HB2 ARG A 76 85.594 -19.993 2.136 1.00 0.22 H new ATOM 0 HB3 ARG A 76 85.047 -21.069 0.865 1.00 0.22 H new ATOM 0 HG2 ARG A 76 84.445 -19.060 -0.544 1.00 0.25 H new ATOM 0 HG3 ARG A 76 85.059 -18.011 0.718 1.00 0.25 H new ATOM 0 HD2 ARG A 76 86.691 -20.129 -0.774 1.00 0.35 H new ATOM 0 HD3 ARG A 76 86.782 -18.400 -1.048 1.00 0.35 H new ATOM 0 HE ARG A 76 87.283 -18.681 1.729 1.00 1.36 H new ATOM 0 HH11 ARG A 76 88.546 -19.843 -1.318 1.00 2.11 H new ATOM 0 HH12 ARG A 76 90.187 -20.055 -0.698 1.00 2.11 H new ATOM 0 HH21 ARG A 76 89.381 -18.961 2.522 1.00 2.94 H new ATOM 0 HH22 ARG A 76 90.655 -19.561 1.455 1.00 2.94 H new ATOM 1119 N ALA A 77 83.259 -20.968 4.029 1.00 0.17 N ATOM 1120 CA ALA A 77 82.989 -22.126 4.939 1.00 0.17 C ATOM 1121 C ALA A 77 81.503 -22.208 5.323 1.00 0.17 C ATOM 1122 O ALA A 77 81.149 -22.963 6.205 1.00 0.17 O ATOM 1123 CB ALA A 77 83.844 -22.012 6.201 1.00 0.17 C ATOM 0 H ALA A 77 83.537 -20.102 4.490 1.00 0.17 H new ATOM 0 HA ALA A 77 83.250 -23.038 4.402 1.00 0.17 H new ATOM 0 HB1 ALA A 77 83.640 -22.859 6.856 1.00 0.17 H new ATOM 0 HB2 ALA A 77 84.899 -22.011 5.927 1.00 0.17 H new ATOM 0 HB3 ALA A 77 83.603 -21.085 6.721 1.00 0.17 H new ATOM 1129 N GLN A 78 80.634 -21.446 4.697 1.00 0.17 N ATOM 1130 CA GLN A 78 79.167 -21.482 5.034 1.00 0.18 C ATOM 1131 C GLN A 78 78.888 -21.005 6.466 1.00 0.18 C ATOM 1132 O GLN A 78 77.982 -21.489 7.113 1.00 0.20 O ATOM 1133 CB GLN A 78 78.602 -22.897 4.850 1.00 0.20 C ATOM 1134 CG GLN A 78 78.777 -23.328 3.392 1.00 0.31 C ATOM 1135 CD GLN A 78 77.878 -22.481 2.488 1.00 0.59 C ATOM 1136 OE1 GLN A 78 76.688 -22.369 2.719 1.00 1.56 O ATOM 1137 NE2 GLN A 78 78.403 -21.871 1.459 1.00 0.41 N ATOM 0 H GLN A 78 80.881 -20.790 3.956 1.00 0.17 H new ATOM 0 HA GLN A 78 78.672 -20.797 4.346 1.00 0.18 H new ATOM 0 HB2 GLN A 78 79.116 -23.595 5.511 1.00 0.20 H new ATOM 0 HB3 GLN A 78 77.547 -22.918 5.123 1.00 0.20 H new ATOM 0 HG2 GLN A 78 79.819 -23.215 3.093 1.00 0.31 H new ATOM 0 HG3 GLN A 78 78.527 -24.383 3.283 1.00 0.31 H new ATOM 0 HE21 GLN A 78 79.400 -21.964 1.265 1.00 0.41 H new ATOM 0 HE22 GLN A 78 77.816 -21.301 0.850 1.00 0.41 H new ATOM 1146 N GLN A 79 79.639 -20.046 6.954 1.00 0.17 N ATOM 1147 CA GLN A 79 79.409 -19.509 8.341 1.00 0.19 C ATOM 1148 C GLN A 79 79.119 -18.002 8.255 1.00 0.17 C ATOM 1149 O GLN A 79 79.792 -17.280 7.551 1.00 0.21 O ATOM 1150 CB GLN A 79 80.665 -19.743 9.185 1.00 0.22 C ATOM 1151 CG GLN A 79 80.811 -21.237 9.496 1.00 1.18 C ATOM 1152 CD GLN A 79 82.169 -21.492 10.151 1.00 1.51 C ATOM 1153 OE1 GLN A 79 82.843 -20.566 10.555 1.00 1.87 O ATOM 1154 NE2 GLN A 79 82.601 -22.717 10.273 1.00 2.23 N ATOM 0 H GLN A 79 80.409 -19.606 6.449 1.00 0.17 H new ATOM 0 HA GLN A 79 78.562 -20.017 8.801 1.00 0.19 H new ATOM 0 HB2 GLN A 79 81.545 -19.386 8.650 1.00 0.22 H new ATOM 0 HB3 GLN A 79 80.602 -19.174 10.112 1.00 0.22 H new ATOM 0 HG2 GLN A 79 80.009 -21.561 10.159 1.00 1.18 H new ATOM 0 HG3 GLN A 79 80.722 -21.820 8.580 1.00 1.18 H new ATOM 0 HE21 GLN A 79 82.034 -23.494 9.933 1.00 2.23 H new ATOM 0 HE22 GLN A 79 83.506 -22.898 10.708 1.00 2.23 H new ATOM 1163 N PHE A 80 78.118 -17.512 8.958 1.00 0.15 N ATOM 1164 CA PHE A 80 77.803 -16.044 8.875 1.00 0.14 C ATOM 1165 C PHE A 80 78.775 -15.242 9.755 1.00 0.13 C ATOM 1166 O PHE A 80 78.906 -15.507 10.935 1.00 0.14 O ATOM 1167 CB PHE A 80 76.373 -15.773 9.383 1.00 0.16 C ATOM 1168 CG PHE A 80 75.341 -16.101 8.328 1.00 0.19 C ATOM 1169 CD1 PHE A 80 75.195 -15.267 7.213 1.00 0.22 C ATOM 1170 CD2 PHE A 80 74.509 -17.219 8.477 1.00 0.24 C ATOM 1171 CE1 PHE A 80 74.224 -15.550 6.248 1.00 0.28 C ATOM 1172 CE2 PHE A 80 73.535 -17.500 7.513 1.00 0.30 C ATOM 1173 CZ PHE A 80 73.393 -16.667 6.398 1.00 0.31 C ATOM 0 H PHE A 80 77.515 -18.055 9.576 1.00 0.15 H new ATOM 0 HA PHE A 80 77.896 -15.740 7.832 1.00 0.14 H new ATOM 0 HB2 PHE A 80 76.184 -16.368 10.276 1.00 0.16 H new ATOM 0 HB3 PHE A 80 76.280 -14.726 9.672 1.00 0.16 H new ATOM 0 HD1 PHE A 80 75.834 -14.404 7.098 1.00 0.22 H new ATOM 0 HD2 PHE A 80 74.620 -17.864 9.336 1.00 0.24 H new ATOM 0 HE1 PHE A 80 74.115 -14.907 5.387 1.00 0.28 H new ATOM 0 HE2 PHE A 80 72.892 -18.360 7.630 1.00 0.30 H new ATOM 0 HZ PHE A 80 72.642 -16.885 5.653 1.00 0.31 H new ATOM 1183 N VAL A 81 79.441 -14.252 9.197 1.00 0.12 N ATOM 1184 CA VAL A 81 80.395 -13.415 10.008 1.00 0.12 C ATOM 1185 C VAL A 81 80.052 -11.937 9.808 1.00 0.12 C ATOM 1186 O VAL A 81 79.374 -11.572 8.869 1.00 0.12 O ATOM 1187 CB VAL A 81 81.840 -13.709 9.582 1.00 0.14 C ATOM 1188 CG1 VAL A 81 81.990 -15.214 9.371 1.00 0.18 C ATOM 1189 CG2 VAL A 81 82.192 -13.051 8.243 1.00 0.16 C ATOM 0 H VAL A 81 79.366 -13.987 8.215 1.00 0.12 H new ATOM 0 HA VAL A 81 80.301 -13.659 11.066 1.00 0.12 H new ATOM 0 HB VAL A 81 82.493 -13.321 10.363 1.00 0.14 H new ATOM 0 HG11 VAL A 81 83.013 -15.439 9.068 1.00 0.18 H new ATOM 0 HG12 VAL A 81 81.764 -15.736 10.301 1.00 0.18 H new ATOM 0 HG13 VAL A 81 81.300 -15.543 8.594 1.00 0.18 H new ATOM 0 HG21 VAL A 81 83.224 -13.286 7.982 1.00 0.16 H new ATOM 0 HG22 VAL A 81 81.526 -13.428 7.466 1.00 0.16 H new ATOM 0 HG23 VAL A 81 82.077 -11.970 8.327 1.00 0.16 H new ATOM 1199 N SER A 82 80.480 -11.085 10.697 1.00 0.15 N ATOM 1200 CA SER A 82 80.141 -9.635 10.569 1.00 0.15 C ATOM 1201 C SER A 82 80.929 -8.970 9.428 1.00 0.16 C ATOM 1202 O SER A 82 82.136 -9.079 9.349 1.00 0.25 O ATOM 1203 CB SER A 82 80.467 -8.927 11.884 1.00 0.23 C ATOM 1204 OG SER A 82 80.102 -7.557 11.783 1.00 0.26 O ATOM 0 H SER A 82 81.050 -11.327 11.508 1.00 0.15 H new ATOM 0 HA SER A 82 79.078 -9.552 10.341 1.00 0.15 H new ATOM 0 HB2 SER A 82 79.930 -9.399 12.707 1.00 0.23 H new ATOM 0 HB3 SER A 82 81.531 -9.017 12.105 1.00 0.23 H new ATOM 0 HG SER A 82 80.308 -7.101 12.625 1.00 0.26 H new ATOM 1210 N THR A 83 80.249 -8.256 8.559 1.00 0.12 N ATOM 1211 CA THR A 83 80.940 -7.550 7.427 1.00 0.17 C ATOM 1212 C THR A 83 80.404 -6.116 7.329 1.00 0.12 C ATOM 1213 O THR A 83 79.315 -5.817 7.778 1.00 0.11 O ATOM 1214 CB THR A 83 80.693 -8.294 6.105 1.00 0.27 C ATOM 1215 OG1 THR A 83 81.225 -7.530 5.031 1.00 0.31 O ATOM 1216 CG2 THR A 83 79.192 -8.515 5.882 1.00 0.29 C ATOM 0 H THR A 83 79.237 -8.131 8.585 1.00 0.12 H new ATOM 0 HA THR A 83 82.013 -7.529 7.616 1.00 0.17 H new ATOM 0 HB THR A 83 81.185 -9.266 6.150 1.00 0.27 H new ATOM 0 HG1 THR A 83 82.188 -7.405 5.164 1.00 0.31 H new ATOM 0 HG21 THR A 83 79.038 -9.043 4.941 1.00 0.29 H new ATOM 0 HG22 THR A 83 78.786 -9.108 6.702 1.00 0.29 H new ATOM 0 HG23 THR A 83 78.684 -7.551 5.845 1.00 0.29 H new ATOM 1224 N LYS A 84 81.165 -5.228 6.739 1.00 0.12 N ATOM 1225 CA LYS A 84 80.701 -3.815 6.609 1.00 0.14 C ATOM 1226 C LYS A 84 81.363 -3.154 5.391 1.00 0.13 C ATOM 1227 O LYS A 84 82.434 -3.531 4.959 1.00 0.15 O ATOM 1228 CB LYS A 84 81.067 -3.032 7.878 1.00 0.25 C ATOM 1229 CG LYS A 84 82.587 -3.037 8.084 1.00 0.34 C ATOM 1230 CD LYS A 84 82.929 -2.259 9.357 1.00 0.48 C ATOM 1231 CE LYS A 84 84.447 -2.124 9.480 1.00 1.17 C ATOM 1232 NZ LYS A 84 85.075 -3.471 9.374 1.00 1.98 N ATOM 0 H LYS A 84 82.085 -5.421 6.343 1.00 0.12 H new ATOM 0 HA LYS A 84 79.619 -3.808 6.476 1.00 0.14 H new ATOM 0 HB2 LYS A 84 80.707 -2.006 7.798 1.00 0.25 H new ATOM 0 HB3 LYS A 84 80.574 -3.476 8.743 1.00 0.25 H new ATOM 0 HG2 LYS A 84 82.951 -4.061 8.161 1.00 0.34 H new ATOM 0 HG3 LYS A 84 83.083 -2.586 7.225 1.00 0.34 H new ATOM 0 HD2 LYS A 84 82.467 -1.272 9.328 1.00 0.48 H new ATOM 0 HD3 LYS A 84 82.527 -2.774 10.230 1.00 0.48 H new ATOM 0 HE2 LYS A 84 84.829 -1.470 8.696 1.00 1.17 H new ATOM 0 HE3 LYS A 84 84.706 -1.664 10.434 1.00 1.17 H new ATOM 0 HZ1 LYS A 84 85.945 -3.494 9.943 1.00 1.98 H new ATOM 0 HZ2 LYS A 84 84.413 -4.192 9.726 1.00 1.98 H new ATOM 0 HZ3 LYS A 84 85.306 -3.669 8.380 1.00 1.98 H new ATOM 1246 N ILE A 85 80.715 -2.155 4.853 1.00 0.13 N ATOM 1247 CA ILE A 85 81.248 -1.415 3.671 1.00 0.13 C ATOM 1248 C ILE A 85 80.904 0.068 3.819 1.00 0.13 C ATOM 1249 O ILE A 85 79.899 0.435 4.394 1.00 0.13 O ATOM 1250 CB ILE A 85 80.627 -1.964 2.384 1.00 0.14 C ATOM 1251 CG1 ILE A 85 81.282 -1.291 1.173 1.00 0.17 C ATOM 1252 CG2 ILE A 85 79.125 -1.687 2.366 1.00 0.16 C ATOM 1253 CD1 ILE A 85 80.843 -2.014 -0.104 1.00 0.20 C ATOM 0 H ILE A 85 79.816 -1.813 5.192 1.00 0.13 H new ATOM 0 HA ILE A 85 82.329 -1.541 3.619 1.00 0.13 H new ATOM 0 HB ILE A 85 80.792 -3.041 2.341 1.00 0.14 H new ATOM 0 HG12 ILE A 85 80.996 -0.240 1.127 1.00 0.17 H new ATOM 0 HG13 ILE A 85 82.367 -1.322 1.268 1.00 0.17 H new ATOM 0 HG21 ILE A 85 78.693 -2.082 1.446 1.00 0.16 H new ATOM 0 HG22 ILE A 85 78.656 -2.170 3.223 1.00 0.16 H new ATOM 0 HG23 ILE A 85 78.953 -0.612 2.416 1.00 0.16 H new ATOM 0 HD11 ILE A 85 81.306 -1.539 -0.969 1.00 0.20 H new ATOM 0 HD12 ILE A 85 81.151 -3.058 -0.055 1.00 0.20 H new ATOM 0 HD13 ILE A 85 79.758 -1.960 -0.198 1.00 0.20 H new ATOM 1265 N ASN A 86 81.748 0.920 3.308 1.00 0.13 N ATOM 1266 CA ASN A 86 81.504 2.390 3.416 1.00 0.14 C ATOM 1267 C ASN A 86 80.669 2.871 2.220 1.00 0.13 C ATOM 1268 O ASN A 86 81.134 2.878 1.105 1.00 0.13 O ATOM 1269 CB ASN A 86 82.855 3.107 3.416 1.00 0.15 C ATOM 1270 CG ASN A 86 82.678 4.549 3.894 1.00 0.17 C ATOM 1271 OD1 ASN A 86 81.571 5.044 3.980 1.00 0.17 O ATOM 1272 ND2 ASN A 86 83.733 5.251 4.206 1.00 0.23 N ATOM 0 H ASN A 86 82.603 0.661 2.816 1.00 0.13 H new ATOM 0 HA ASN A 86 80.961 2.608 4.335 1.00 0.14 H new ATOM 0 HB2 ASN A 86 83.555 2.582 4.066 1.00 0.15 H new ATOM 0 HB3 ASN A 86 83.282 3.097 2.413 1.00 0.15 H new ATOM 0 HD21 ASN A 86 83.629 6.215 4.522 1.00 0.23 H new ATOM 0 HD22 ASN A 86 84.662 4.835 4.134 1.00 0.23 H new ATOM 1279 N LEU A 87 79.453 3.297 2.451 1.00 0.13 N ATOM 1280 CA LEU A 87 78.594 3.801 1.328 1.00 0.13 C ATOM 1281 C LEU A 87 79.160 5.116 0.782 1.00 0.13 C ATOM 1282 O LEU A 87 78.841 5.521 -0.317 1.00 0.13 O ATOM 1283 CB LEU A 87 77.170 4.069 1.835 1.00 0.14 C ATOM 1284 CG LEU A 87 76.616 2.836 2.547 1.00 0.15 C ATOM 1285 CD1 LEU A 87 75.144 3.074 2.894 1.00 0.18 C ATOM 1286 CD2 LEU A 87 76.738 1.606 1.644 1.00 0.21 C ATOM 0 H LEU A 87 79.014 3.319 3.371 1.00 0.13 H new ATOM 0 HA LEU A 87 78.579 3.044 0.544 1.00 0.13 H new ATOM 0 HB2 LEU A 87 77.174 4.919 2.517 1.00 0.14 H new ATOM 0 HB3 LEU A 87 76.524 4.335 0.999 1.00 0.14 H new ATOM 0 HG LEU A 87 77.187 2.661 3.459 1.00 0.15 H new ATOM 0 HD11 LEU A 87 74.744 2.197 3.402 1.00 0.18 H new ATOM 0 HD12 LEU A 87 75.060 3.942 3.548 1.00 0.18 H new ATOM 0 HD13 LEU A 87 74.579 3.253 1.979 1.00 0.18 H new ATOM 0 HD21 LEU A 87 76.340 0.733 2.162 1.00 0.21 H new ATOM 0 HD22 LEU A 87 76.174 1.771 0.726 1.00 0.21 H new ATOM 0 HD23 LEU A 87 77.787 1.436 1.400 1.00 0.21 H new ATOM 1298 N ASP A 88 79.953 5.812 1.544 1.00 0.14 N ATOM 1299 CA ASP A 88 80.480 7.122 1.058 1.00 0.15 C ATOM 1300 C ASP A 88 81.477 6.945 -0.096 1.00 0.15 C ATOM 1301 O ASP A 88 81.837 7.904 -0.746 1.00 0.15 O ATOM 1302 CB ASP A 88 81.169 7.852 2.214 1.00 0.17 C ATOM 1303 CG ASP A 88 80.118 8.328 3.221 1.00 0.18 C ATOM 1304 OD1 ASP A 88 78.964 8.435 2.840 1.00 0.19 O ATOM 1305 OD2 ASP A 88 80.484 8.575 4.358 1.00 0.22 O ATOM 0 H ASP A 88 80.260 5.536 2.477 1.00 0.14 H new ATOM 0 HA ASP A 88 79.637 7.704 0.687 1.00 0.15 H new ATOM 0 HB2 ASP A 88 81.882 7.188 2.703 1.00 0.17 H new ATOM 0 HB3 ASP A 88 81.735 8.703 1.834 1.00 0.17 H new ATOM 1310 N ASP A 89 81.964 5.758 -0.350 1.00 0.16 N ATOM 1311 CA ASP A 89 82.960 5.575 -1.452 1.00 0.17 C ATOM 1312 C ASP A 89 82.383 5.935 -2.825 1.00 0.16 C ATOM 1313 O ASP A 89 83.088 6.452 -3.669 1.00 0.16 O ATOM 1314 CB ASP A 89 83.409 4.113 -1.515 1.00 0.20 C ATOM 1315 CG ASP A 89 84.269 3.777 -0.293 1.00 0.23 C ATOM 1316 OD1 ASP A 89 84.884 4.685 0.243 1.00 0.27 O ATOM 1317 OD2 ASP A 89 84.303 2.616 0.082 1.00 0.26 O ATOM 0 H ASP A 89 81.717 4.908 0.156 1.00 0.16 H new ATOM 0 HA ASP A 89 83.794 6.241 -1.228 1.00 0.17 H new ATOM 0 HB2 ASP A 89 82.539 3.458 -1.549 1.00 0.20 H new ATOM 0 HB3 ASP A 89 83.976 3.937 -2.429 1.00 0.20 H new ATOM 1322 N HIS A 90 81.143 5.587 -3.102 1.00 0.16 N ATOM 1323 CA HIS A 90 80.590 5.847 -4.478 1.00 0.17 C ATOM 1324 C HIS A 90 79.133 6.336 -4.454 1.00 0.16 C ATOM 1325 O HIS A 90 78.612 6.764 -5.467 1.00 0.17 O ATOM 1326 CB HIS A 90 80.678 4.531 -5.255 1.00 0.21 C ATOM 1327 CG HIS A 90 82.122 4.107 -5.304 1.00 0.22 C ATOM 1328 ND1 HIS A 90 82.832 3.151 -4.609 1.00 0.26 N flip ATOM 1329 CD2 HIS A 90 83.043 4.732 -6.133 1.00 0.25 C flip ATOM 1330 CE1 HIS A 90 84.167 3.191 -5.002 1.00 0.29 C flip ATOM 1331 NE2 HIS A 90 84.241 4.159 -5.920 1.00 0.28 N flip ATOM 0 H HIS A 90 80.499 5.142 -2.448 1.00 0.16 H new ATOM 0 HA HIS A 90 81.171 6.641 -4.947 1.00 0.17 H new ATOM 0 HB2 HIS A 90 80.073 3.764 -4.772 1.00 0.21 H new ATOM 0 HB3 HIS A 90 80.285 4.659 -6.264 1.00 0.21 H new ATOM 0 HD1 HIS A 90 82.440 2.514 -3.915 1.00 0.26 H new ATOM 0 HD2 HIS A 90 82.835 5.535 -6.825 1.00 0.25 H new ATOM 0 HE1 HIS A 90 84.973 2.570 -4.641 1.00 0.29 H new ATOM 1339 N ILE A 91 78.460 6.286 -3.336 1.00 0.15 N ATOM 1340 CA ILE A 91 77.038 6.761 -3.312 1.00 0.14 C ATOM 1341 C ILE A 91 77.016 8.274 -3.114 1.00 0.14 C ATOM 1342 O ILE A 91 77.352 8.777 -2.061 1.00 0.15 O ATOM 1343 CB ILE A 91 76.272 6.069 -2.174 1.00 0.15 C ATOM 1344 CG1 ILE A 91 76.171 4.552 -2.458 1.00 0.16 C ATOM 1345 CG2 ILE A 91 74.871 6.680 -2.057 1.00 0.17 C ATOM 1346 CD1 ILE A 91 75.457 4.312 -3.805 1.00 0.17 C ATOM 0 H ILE A 91 78.823 5.942 -2.447 1.00 0.15 H new ATOM 0 HA ILE A 91 76.556 6.513 -4.258 1.00 0.14 H new ATOM 0 HB ILE A 91 76.805 6.215 -1.234 1.00 0.15 H new ATOM 0 HG12 ILE A 91 77.168 4.111 -2.482 1.00 0.16 H new ATOM 0 HG13 ILE A 91 75.624 4.059 -1.654 1.00 0.16 H new ATOM 0 HG21 ILE A 91 74.327 6.190 -1.250 1.00 0.17 H new ATOM 0 HG22 ILE A 91 74.955 7.745 -1.843 1.00 0.17 H new ATOM 0 HG23 ILE A 91 74.333 6.540 -2.995 1.00 0.17 H new ATOM 0 HD11 ILE A 91 75.391 3.241 -3.996 1.00 0.17 H new ATOM 0 HD12 ILE A 91 74.454 4.736 -3.766 1.00 0.17 H new ATOM 0 HD13 ILE A 91 76.021 4.789 -4.606 1.00 0.17 H new ATOM 1358 N ALA A 92 76.630 8.999 -4.142 1.00 0.15 N ATOM 1359 CA ALA A 92 76.599 10.496 -4.042 1.00 0.16 C ATOM 1360 C ALA A 92 75.177 11.036 -4.203 1.00 0.16 C ATOM 1361 O ALA A 92 74.272 10.355 -4.644 1.00 0.15 O ATOM 1362 CB ALA A 92 77.459 11.126 -5.145 1.00 0.17 C ATOM 0 H ALA A 92 76.336 8.620 -5.042 1.00 0.15 H new ATOM 0 HA ALA A 92 76.985 10.755 -3.056 1.00 0.16 H new ATOM 0 HB1 ALA A 92 77.425 12.212 -5.057 1.00 0.17 H new ATOM 0 HB2 ALA A 92 78.489 10.786 -5.042 1.00 0.17 H new ATOM 0 HB3 ALA A 92 77.075 10.829 -6.121 1.00 0.17 H new ATOM 1368 N ASN A 93 75.005 12.290 -3.873 1.00 0.17 N ATOM 1369 CA ASN A 93 73.681 12.967 -4.010 1.00 0.18 C ATOM 1370 C ASN A 93 73.794 13.975 -5.151 1.00 0.18 C ATOM 1371 O ASN A 93 74.513 14.950 -5.048 1.00 0.19 O ATOM 1372 CB ASN A 93 73.355 13.706 -2.710 1.00 0.20 C ATOM 1373 CG ASN A 93 72.104 14.566 -2.899 1.00 0.20 C ATOM 1374 OD1 ASN A 93 71.208 14.205 -3.638 1.00 0.34 O ATOM 1375 ND2 ASN A 93 72.006 15.695 -2.254 1.00 0.34 N ATOM 0 H ASN A 93 75.746 12.887 -3.505 1.00 0.17 H new ATOM 0 HA ASN A 93 72.894 12.241 -4.214 1.00 0.18 H new ATOM 0 HB2 ASN A 93 73.196 12.989 -1.904 1.00 0.20 H new ATOM 0 HB3 ASN A 93 74.197 14.333 -2.417 1.00 0.20 H new ATOM 0 HD21 ASN A 93 71.177 16.278 -2.369 1.00 0.34 H new ATOM 0 HD22 ASN A 93 72.759 15.996 -1.635 1.00 0.34 H new ATOM 1382 N ILE A 94 73.087 13.757 -6.234 1.00 0.18 N ATOM 1383 CA ILE A 94 73.143 14.714 -7.389 1.00 0.18 C ATOM 1384 C ILE A 94 71.755 15.327 -7.550 1.00 0.18 C ATOM 1385 O ILE A 94 70.828 14.701 -8.020 1.00 0.17 O ATOM 1386 CB ILE A 94 73.543 13.928 -8.646 1.00 0.19 C ATOM 1387 CG1 ILE A 94 75.007 13.474 -8.503 1.00 0.26 C ATOM 1388 CG2 ILE A 94 73.418 14.778 -9.916 1.00 0.24 C ATOM 1389 CD1 ILE A 94 75.377 12.401 -9.542 1.00 0.23 C ATOM 0 H ILE A 94 72.471 12.955 -6.370 1.00 0.18 H new ATOM 0 HA ILE A 94 73.872 15.508 -7.225 1.00 0.18 H new ATOM 0 HB ILE A 94 72.870 13.076 -8.738 1.00 0.19 H new ATOM 0 HG12 ILE A 94 75.667 14.334 -8.618 1.00 0.26 H new ATOM 0 HG13 ILE A 94 75.169 13.080 -7.500 1.00 0.26 H new ATOM 0 HG21 ILE A 94 73.711 14.184 -10.782 1.00 0.24 H new ATOM 0 HG22 ILE A 94 72.385 15.107 -10.034 1.00 0.24 H new ATOM 0 HG23 ILE A 94 74.069 15.649 -9.837 1.00 0.24 H new ATOM 0 HD11 ILE A 94 76.418 12.108 -9.407 1.00 0.23 H new ATOM 0 HD12 ILE A 94 74.735 11.530 -9.410 1.00 0.23 H new ATOM 0 HD13 ILE A 94 75.241 12.804 -10.546 1.00 0.23 H new ATOM 1401 N ASP A 95 71.630 16.562 -7.171 1.00 0.18 N ATOM 1402 CA ASP A 95 70.334 17.278 -7.311 1.00 0.18 C ATOM 1403 C ASP A 95 69.235 16.648 -6.440 1.00 0.18 C ATOM 1404 O ASP A 95 68.075 16.671 -6.799 1.00 0.18 O ATOM 1405 CB ASP A 95 69.911 17.246 -8.785 1.00 0.18 C ATOM 1406 CG ASP A 95 68.912 18.374 -9.062 1.00 0.19 C ATOM 1407 OD1 ASP A 95 68.315 18.856 -8.113 1.00 0.22 O ATOM 1408 OD2 ASP A 95 68.765 18.738 -10.216 1.00 0.22 O ATOM 0 H ASP A 95 72.382 17.117 -6.763 1.00 0.18 H new ATOM 0 HA ASP A 95 70.468 18.305 -6.973 1.00 0.18 H new ATOM 0 HB2 ASP A 95 70.785 17.356 -9.426 1.00 0.18 H new ATOM 0 HB3 ASP A 95 69.461 16.282 -9.023 1.00 0.18 H new ATOM 1413 N GLY A 96 69.567 16.103 -5.296 1.00 0.18 N ATOM 1414 CA GLY A 96 68.505 15.508 -4.424 1.00 0.18 C ATOM 1415 C GLY A 96 68.220 14.053 -4.816 1.00 0.18 C ATOM 1416 O GLY A 96 67.362 13.414 -4.240 1.00 0.19 O ATOM 0 H GLY A 96 70.517 16.044 -4.930 1.00 0.18 H new ATOM 0 HA2 GLY A 96 68.819 15.552 -3.381 1.00 0.18 H new ATOM 0 HA3 GLY A 96 67.591 16.096 -4.506 1.00 0.18 H new ATOM 1420 N THR A 97 68.933 13.521 -5.780 1.00 0.17 N ATOM 1421 CA THR A 97 68.702 12.096 -6.204 1.00 0.18 C ATOM 1422 C THR A 97 70.005 11.303 -6.055 1.00 0.17 C ATOM 1423 O THR A 97 71.078 11.791 -6.354 1.00 0.18 O ATOM 1424 CB THR A 97 68.233 12.073 -7.663 1.00 0.21 C ATOM 1425 OG1 THR A 97 66.941 12.663 -7.742 1.00 0.24 O ATOM 1426 CG2 THR A 97 68.169 10.628 -8.167 1.00 0.23 C ATOM 0 H THR A 97 69.666 14.009 -6.294 1.00 0.17 H new ATOM 0 HA THR A 97 67.936 11.641 -5.575 1.00 0.18 H new ATOM 0 HB THR A 97 68.935 12.633 -8.281 1.00 0.21 H new ATOM 0 HG1 THR A 97 66.634 12.654 -8.672 1.00 0.24 H new ATOM 0 HG21 THR A 97 67.835 10.619 -9.205 1.00 0.23 H new ATOM 0 HG22 THR A 97 69.158 10.175 -8.100 1.00 0.23 H new ATOM 0 HG23 THR A 97 67.468 10.060 -7.555 1.00 0.23 H new ATOM 1434 N LEU A 98 69.924 10.086 -5.576 1.00 0.17 N ATOM 1435 CA LEU A 98 71.163 9.273 -5.392 1.00 0.17 C ATOM 1436 C LEU A 98 71.584 8.639 -6.717 1.00 0.16 C ATOM 1437 O LEU A 98 70.777 8.098 -7.447 1.00 0.17 O ATOM 1438 CB LEU A 98 70.912 8.147 -4.383 1.00 0.18 C ATOM 1439 CG LEU A 98 70.500 8.707 -3.016 1.00 0.18 C ATOM 1440 CD1 LEU A 98 70.349 7.533 -2.047 1.00 0.22 C ATOM 1441 CD2 LEU A 98 71.572 9.684 -2.495 1.00 0.26 C ATOM 0 H LEU A 98 69.056 9.623 -5.306 1.00 0.17 H new ATOM 0 HA LEU A 98 71.949 9.935 -5.029 1.00 0.17 H new ATOM 0 HB2 LEU A 98 70.130 7.486 -4.759 1.00 0.18 H new ATOM 0 HB3 LEU A 98 71.814 7.545 -4.275 1.00 0.18 H new ATOM 0 HG LEU A 98 69.559 9.249 -3.103 1.00 0.18 H new ATOM 0 HD11 LEU A 98 70.056 7.906 -1.066 1.00 0.22 H new ATOM 0 HD12 LEU A 98 69.585 6.850 -2.419 1.00 0.22 H new ATOM 0 HD13 LEU A 98 71.299 7.004 -1.965 1.00 0.22 H new ATOM 0 HD21 LEU A 98 71.267 10.074 -1.524 1.00 0.26 H new ATOM 0 HD22 LEU A 98 72.523 9.161 -2.394 1.00 0.26 H new ATOM 0 HD23 LEU A 98 71.685 10.509 -3.198 1.00 0.26 H new ATOM 1453 N LYS A 99 72.858 8.687 -7.017 1.00 0.16 N ATOM 1454 CA LYS A 99 73.378 8.073 -8.274 1.00 0.16 C ATOM 1455 C LYS A 99 74.781 7.506 -8.003 1.00 0.16 C ATOM 1456 O LYS A 99 75.641 8.187 -7.474 1.00 0.18 O ATOM 1457 CB LYS A 99 73.452 9.138 -9.381 1.00 0.17 C ATOM 1458 CG LYS A 99 72.053 9.366 -9.976 1.00 0.19 C ATOM 1459 CD LYS A 99 72.127 10.405 -11.097 1.00 0.23 C ATOM 1460 CE LYS A 99 70.779 10.480 -11.821 1.00 0.66 C ATOM 1461 NZ LYS A 99 70.501 9.180 -12.496 1.00 1.38 N ATOM 0 H LYS A 99 73.568 9.132 -6.435 1.00 0.16 H new ATOM 0 HA LYS A 99 72.712 7.274 -8.599 1.00 0.16 H new ATOM 0 HB2 LYS A 99 73.842 10.072 -8.975 1.00 0.17 H new ATOM 0 HB3 LYS A 99 74.142 8.817 -10.162 1.00 0.17 H new ATOM 0 HG2 LYS A 99 71.656 8.428 -10.363 1.00 0.19 H new ATOM 0 HG3 LYS A 99 71.368 9.705 -9.199 1.00 0.19 H new ATOM 0 HD2 LYS A 99 72.384 11.381 -10.685 1.00 0.23 H new ATOM 0 HD3 LYS A 99 72.915 10.139 -11.802 1.00 0.23 H new ATOM 0 HE2 LYS A 99 69.985 10.709 -11.110 1.00 0.66 H new ATOM 0 HE3 LYS A 99 70.793 11.286 -12.554 1.00 0.66 H new ATOM 0 HZ1 LYS A 99 69.870 9.338 -13.307 1.00 1.38 H new ATOM 0 HZ2 LYS A 99 71.394 8.763 -12.828 1.00 1.38 H new ATOM 0 HZ3 LYS A 99 70.045 8.531 -11.824 1.00 1.38 H new ATOM 1475 N TYR A 100 75.023 6.269 -8.356 1.00 0.16 N ATOM 1476 CA TYR A 100 76.368 5.657 -8.124 1.00 0.17 C ATOM 1477 C TYR A 100 77.380 6.275 -9.097 1.00 0.21 C ATOM 1478 O TYR A 100 77.091 6.475 -10.260 1.00 0.22 O ATOM 1479 CB TYR A 100 76.284 4.148 -8.400 1.00 0.17 C ATOM 1480 CG TYR A 100 77.658 3.530 -8.268 1.00 0.19 C ATOM 1481 CD1 TYR A 100 78.560 3.603 -9.338 1.00 0.25 C ATOM 1482 CD2 TYR A 100 78.039 2.895 -7.075 1.00 0.19 C ATOM 1483 CE1 TYR A 100 79.836 3.038 -9.219 1.00 0.29 C ATOM 1484 CE2 TYR A 100 79.317 2.331 -6.958 1.00 0.24 C ATOM 1485 CZ TYR A 100 80.215 2.404 -8.030 1.00 0.28 C ATOM 1486 OH TYR A 100 81.474 1.851 -7.915 1.00 0.33 O ATOM 0 H TYR A 100 74.342 5.652 -8.798 1.00 0.16 H new ATOM 0 HA TYR A 100 76.680 5.838 -7.095 1.00 0.17 H new ATOM 0 HB2 TYR A 100 75.594 3.678 -7.699 1.00 0.17 H new ATOM 0 HB3 TYR A 100 75.890 3.973 -9.401 1.00 0.17 H new ATOM 0 HD1 TYR A 100 78.271 4.095 -10.255 1.00 0.25 H new ATOM 0 HD2 TYR A 100 77.347 2.841 -6.247 1.00 0.19 H new ATOM 0 HE1 TYR A 100 80.529 3.092 -10.046 1.00 0.29 H new ATOM 0 HE2 TYR A 100 79.609 1.840 -6.041 1.00 0.24 H new ATOM 0 HH TYR A 100 81.576 1.451 -7.026 1.00 0.33 H new ATOM 1496 N GLU A 101 78.577 6.554 -8.641 1.00 0.26 N ATOM 1497 CA GLU A 101 79.612 7.132 -9.554 1.00 0.33 C ATOM 1498 C GLU A 101 81.006 6.793 -9.021 1.00 0.40 C ATOM 1499 O GLU A 101 81.867 6.477 -9.827 1.00 1.14 O ATOM 1500 CB GLU A 101 79.447 8.655 -9.657 1.00 0.41 C ATOM 1501 CG GLU A 101 79.711 9.319 -8.302 1.00 0.45 C ATOM 1502 CD GLU A 101 79.451 10.823 -8.426 1.00 1.09 C ATOM 1503 OE1 GLU A 101 80.052 11.437 -9.293 1.00 1.69 O ATOM 1504 OE2 GLU A 101 78.651 11.332 -7.661 1.00 1.44 O ATOM 1505 OXT GLU A 101 81.192 6.859 -7.816 1.00 1.12 O ATOM 0 H GLU A 101 78.881 6.407 -7.679 1.00 0.26 H new ATOM 0 HA GLU A 101 79.487 6.703 -10.548 1.00 0.33 H new ATOM 0 HB2 GLU A 101 80.136 9.051 -10.403 1.00 0.41 H new ATOM 0 HB3 GLU A 101 78.439 8.895 -9.995 1.00 0.41 H new ATOM 0 HG2 GLU A 101 79.064 8.887 -7.538 1.00 0.45 H new ATOM 0 HG3 GLU A 101 80.739 9.139 -7.988 1.00 0.45 H new TER 1512 GLU A 101