USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 885 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 74 SER OG : rot 180:sc= -0.0242 USER MOD Set 1.2: A 85 SER OG : rot 82:sc= 0.171 USER MOD Set 1.3: A 88 ASN : amide:sc= -1.7 K(o=-1.6,f=-3.7!) USER MOD Set 2.1: A 1 ALA N :NH3+ 145:sc= -0.705 (180deg=-2.75!) USER MOD Set 2.2: A 72 ASN : amide:sc= -0.549 X(o=-1.3,f=-1.2) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 107 SER OG : rot -17:sc= 1.01 USER MOD Set 4.1: A 8 MET CE :methyl 168:sc= -0.71 (180deg=-1.4) USER MOD Set 4.2: A 73 TYR OH : rot 168:sc= 1.24 USER MOD Single : A 4 GLN :FLIP amide:sc= -1.16 F(o=-1.8!,f=-1.2) USER MOD Single : A 6 ASN : amide:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.01! C(o=-2!,f=-3.1!) USER MOD Single : A 24 ASN : amide:sc=-0.00595 K(o=-0.006,f=-0.75) USER MOD Single : A 25 TYR OH : rot 180:sc= -2.4! USER MOD Single : A 28 TYR OH : rot 154:sc= 0.894 USER MOD Single : A 34 SER OG : rot 49:sc= 1.09 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 47 THR OG1 : rot 87:sc= 0.593 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -3.19 F(o=-4.9!,f=-3.2) USER MOD Single : A 50 ASN : amide:sc= -0.146 K(o=-0.15,f=-3!) USER MOD Single : A 52 TYR OH : rot -63:sc= 0.329 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.331) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -170:sc= -0.193 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc=-0.00583 X(o=-0.0058,f=-0.11) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -160:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.00091) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.045 USER MOD Single : A 89 ASN : amide:sc= -0.996! C(o=-1!,f=-14!) USER MOD Single : A 97 ASN : amide:sc= -0.0638 K(o=-0.064,f=-2.2!) USER MOD Single : A 101 ASN : amide:sc= -0.178 K(o=-0.18,f=-2.4!) USER MOD Single : A 108 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0111) USER MOD Single : A 111 TYR OH : rot 78:sc= -0.903 USER MOD Single : A 112 ASN : amide:sc= -0.549! X(o=-0.55!,f=-0.71) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-2.2!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN :FLIP amide:sc= -0.0563 F(o=-2.2,f=-0.056) USER MOD Single : A 120 LYS NZ :NH3+ -117:sc= -0.139 (180deg=-0.977) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 87.437 -8.332 -3.521 1.00 0.00 N ATOM 2 CA ALA A 1 87.989 -7.176 -4.286 1.00 0.00 C ATOM 3 C ALA A 1 87.517 -5.858 -3.665 1.00 0.00 C ATOM 4 O ALA A 1 88.234 -5.216 -2.925 1.00 0.00 O ATOM 5 CB ALA A 1 87.433 -7.334 -5.702 1.00 0.00 C ATOM 0 H1 ALA A 1 87.229 -9.113 -4.175 1.00 0.00 H new ATOM 0 H2 ALA A 1 88.134 -8.647 -2.816 1.00 0.00 H new ATOM 0 H3 ALA A 1 86.563 -8.043 -3.038 1.00 0.00 H new ATOM 0 HA ALA A 1 89.079 -7.158 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 1 87.795 -6.519 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 1 87.763 -8.286 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 1 86.344 -7.311 -5.670 1.00 0.00 H new ATOM 13 N LEU A 2 86.313 -5.449 -3.964 1.00 0.00 N ATOM 14 CA LEU A 2 85.797 -4.172 -3.393 1.00 0.00 C ATOM 15 C LEU A 2 85.127 -4.427 -2.039 1.00 0.00 C ATOM 16 O LEU A 2 85.601 -3.993 -1.009 1.00 0.00 O ATOM 17 CB LEU A 2 84.775 -3.665 -4.412 1.00 0.00 C ATOM 18 CG LEU A 2 85.082 -2.208 -4.761 1.00 0.00 C ATOM 19 CD1 LEU A 2 84.563 -1.899 -6.166 1.00 0.00 C ATOM 20 CD2 LEU A 2 84.393 -1.287 -3.751 1.00 0.00 C ATOM 0 H LEU A 2 85.666 -5.943 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 2 86.593 -3.447 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 2 84.807 -4.280 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 2 83.767 -3.748 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 2 86.159 -2.046 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 2 84.782 -0.861 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 2 85.051 -2.555 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 2 83.486 -2.061 -6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 2 84.611 -0.248 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 2 83.316 -1.450 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 2 84.761 -1.506 -2.749 1.00 0.00 H new ATOM 32 N TRP A 3 84.024 -5.127 -2.034 1.00 0.00 N ATOM 33 CA TRP A 3 83.325 -5.406 -0.746 1.00 0.00 C ATOM 34 C TRP A 3 84.287 -6.055 0.254 1.00 0.00 C ATOM 35 O TRP A 3 84.140 -5.915 1.452 1.00 0.00 O ATOM 36 CB TRP A 3 82.189 -6.367 -1.111 1.00 0.00 C ATOM 37 CG TRP A 3 82.739 -7.740 -1.338 1.00 0.00 C ATOM 38 CD1 TRP A 3 83.327 -8.165 -2.479 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.761 -8.873 -0.420 1.00 0.00 C ATOM 40 NE1 TRP A 3 83.710 -9.485 -2.320 1.00 0.00 N ATOM 41 CE2 TRP A 3 83.383 -9.966 -1.070 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.310 -9.056 0.899 1.00 0.00 C ATOM 43 CZ2 TRP A 3 83.548 -11.196 -0.434 1.00 0.00 C ATOM 44 CZ3 TRP A 3 82.475 -10.294 1.542 1.00 0.00 C ATOM 45 CH2 TRP A 3 83.093 -11.361 0.876 1.00 0.00 C ATOM 0 H TRP A 3 83.578 -5.517 -2.864 1.00 0.00 H new ATOM 0 HA TRP A 3 82.952 -4.497 -0.274 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.449 -6.390 -0.311 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.679 -6.017 -2.008 1.00 0.00 H new ATOM 0 HD1 TRP A 3 83.474 -7.571 -3.369 1.00 0.00 H new ATOM 0 HE1 TRP A 3 84.178 -10.035 -3.040 1.00 0.00 H new ATOM 0 HE3 TRP A 3 81.834 -8.239 1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 84.025 -12.016 -0.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 82.124 -10.424 2.555 1.00 0.00 H new ATOM 0 HH2 TRP A 3 83.217 -12.310 1.376 1.00 0.00 H new ATOM 56 N GLN A 4 85.268 -6.767 -0.228 1.00 0.00 N ATOM 57 CA GLN A 4 86.236 -7.425 0.695 1.00 0.00 C ATOM 58 C GLN A 4 87.106 -6.373 1.387 1.00 0.00 C ATOM 59 O GLN A 4 87.482 -6.520 2.533 1.00 0.00 O ATOM 60 CB GLN A 4 87.087 -8.325 -0.201 1.00 0.00 C ATOM 61 CG GLN A 4 86.317 -9.611 -0.510 1.00 0.00 C ATOM 62 CD GLN A 4 87.286 -10.794 -0.537 1.00 0.00 C ATOM 63 OE1 GLN A 4 86.821 -12.005 -0.393 1.00 0.00 O flip ATOM 64 NE2 GLN A 4 88.477 -10.614 -0.691 1.00 0.00 N flip ATOM 0 H GLN A 4 85.441 -6.922 -1.221 1.00 0.00 H new ATOM 0 HA GLN A 4 85.738 -7.990 1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.335 -7.805 -1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 4 88.029 -8.562 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.547 -9.776 0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 4 85.810 -9.521 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 4 88.839 -9.667 -0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 4 89.115 -11.410 -0.708 1.00 0.00 H new ATOM 73 N PHE A 5 87.429 -5.312 0.700 1.00 0.00 N ATOM 74 CA PHE A 5 88.273 -4.252 1.322 1.00 0.00 C ATOM 75 C PHE A 5 87.527 -3.604 2.491 1.00 0.00 C ATOM 76 O PHE A 5 88.056 -3.461 3.575 1.00 0.00 O ATOM 77 CB PHE A 5 88.519 -3.234 0.207 1.00 0.00 C ATOM 78 CG PHE A 5 89.148 -1.986 0.784 1.00 0.00 C ATOM 79 CD1 PHE A 5 89.837 -2.042 2.003 1.00 0.00 C ATOM 80 CD2 PHE A 5 89.044 -0.772 0.096 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.419 -0.885 2.533 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.627 0.386 0.626 1.00 0.00 C ATOM 83 CZ PHE A 5 90.314 0.329 1.845 1.00 0.00 C ATOM 0 H PHE A 5 87.146 -5.133 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 5 89.207 -4.647 1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 5 89.172 -3.664 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.579 -2.985 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 5 89.919 -2.979 2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 5 88.514 -0.728 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 5 90.949 -0.929 3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.547 1.323 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.763 1.222 2.254 1.00 0.00 H new ATOM 93 N ASN A 6 86.298 -3.215 2.282 1.00 0.00 N ATOM 94 CA ASN A 6 85.521 -2.581 3.385 1.00 0.00 C ATOM 95 C ASN A 6 85.475 -3.515 4.598 1.00 0.00 C ATOM 96 O ASN A 6 85.652 -3.096 5.724 1.00 0.00 O ATOM 97 CB ASN A 6 84.119 -2.373 2.813 1.00 0.00 C ATOM 98 CG ASN A 6 83.965 -0.921 2.357 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.544 -0.519 1.366 1.00 0.00 O ATOM 100 ND2 ASN A 6 83.206 -0.112 3.042 1.00 0.00 N ATOM 0 H ASN A 6 85.800 -3.309 1.397 1.00 0.00 H new ATOM 0 HA ASN A 6 85.965 -1.644 3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 6 83.953 -3.049 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.368 -2.610 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 6 83.098 0.858 2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 6 82.720 -0.449 3.873 1.00 0.00 H new ATOM 107 N GLY A 7 85.243 -4.781 4.374 1.00 0.00 N ATOM 108 CA GLY A 7 85.192 -5.743 5.511 1.00 0.00 C ATOM 109 C GLY A 7 86.407 -5.526 6.412 1.00 0.00 C ATOM 110 O GLY A 7 86.285 -5.363 7.610 1.00 0.00 O ATOM 0 H GLY A 7 85.087 -5.190 3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.273 -5.602 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.181 -6.766 5.136 1.00 0.00 H new ATOM 114 N MET A 8 87.582 -5.519 5.846 1.00 0.00 N ATOM 115 CA MET A 8 88.806 -5.309 6.671 1.00 0.00 C ATOM 116 C MET A 8 88.649 -4.052 7.532 1.00 0.00 C ATOM 117 O MET A 8 88.829 -4.083 8.732 1.00 0.00 O ATOM 118 CB MET A 8 89.939 -5.127 5.662 1.00 0.00 C ATOM 119 CG MET A 8 90.275 -6.476 5.023 1.00 0.00 C ATOM 120 SD MET A 8 91.735 -6.296 3.966 1.00 0.00 S ATOM 121 CE MET A 8 91.870 -8.032 3.472 1.00 0.00 C ATOM 0 H MET A 8 87.748 -5.650 4.848 1.00 0.00 H new ATOM 0 HA MET A 8 88.995 -6.141 7.349 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.645 -4.412 4.894 1.00 0.00 H new ATOM 0 HB3 MET A 8 90.819 -4.718 6.158 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.463 -7.220 5.797 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.429 -6.833 4.435 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.578 -8.122 2.648 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.220 -8.625 4.317 1.00 0.00 H new ATOM 0 HE3 MET A 8 90.894 -8.396 3.153 1.00 0.00 H new ATOM 131 N ILE A 9 88.312 -2.947 6.924 1.00 0.00 N ATOM 132 CA ILE A 9 88.141 -1.688 7.705 1.00 0.00 C ATOM 133 C ILE A 9 87.353 -1.964 8.988 1.00 0.00 C ATOM 134 O ILE A 9 87.569 -1.340 10.007 1.00 0.00 O ATOM 135 CB ILE A 9 87.354 -0.755 6.784 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.247 -0.310 5.623 1.00 0.00 C ATOM 137 CG2 ILE A 9 86.897 0.473 7.573 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.432 0.548 4.654 1.00 0.00 C ATOM 0 H ILE A 9 88.148 -2.861 5.921 1.00 0.00 H new ATOM 0 HA ILE A 9 89.095 -1.256 8.005 1.00 0.00 H new ATOM 0 HB ILE A 9 86.484 -1.281 6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.098 0.257 6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.649 -1.181 5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 9 86.336 1.139 6.917 1.00 0.00 H new ATOM 0 HG22 ILE A 9 86.261 0.158 8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 9 87.768 0.999 7.965 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.067 0.865 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 9 86.596 -0.035 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.051 1.425 5.177 1.00 0.00 H new ATOM 150 N LYS A 10 86.438 -2.894 8.944 1.00 0.00 N ATOM 151 CA LYS A 10 85.635 -3.207 10.161 1.00 0.00 C ATOM 152 C LYS A 10 86.465 -4.044 11.140 1.00 0.00 C ATOM 153 O LYS A 10 86.394 -3.861 12.339 1.00 0.00 O ATOM 154 CB LYS A 10 84.433 -4.001 9.652 1.00 0.00 C ATOM 155 CG LYS A 10 83.324 -3.032 9.236 1.00 0.00 C ATOM 156 CD LYS A 10 82.061 -3.820 8.882 1.00 0.00 C ATOM 157 CE LYS A 10 80.962 -3.510 9.900 1.00 0.00 C ATOM 158 NZ LYS A 10 80.779 -4.774 10.665 1.00 0.00 N ATOM 0 H LYS A 10 86.212 -3.450 8.119 1.00 0.00 H new ATOM 0 HA LYS A 10 85.327 -2.309 10.696 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.725 -4.622 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.071 -4.673 10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.114 -2.334 10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.647 -2.439 8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 10 81.726 -3.558 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 10 82.276 -4.889 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.252 -2.690 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 10 80.038 -3.211 9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 80.040 -4.641 11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 80.497 -5.535 10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 81.673 -5.030 11.131 1.00 0.00 H new ATOM 172 N CYS A 11 87.258 -4.954 10.641 1.00 0.00 N ATOM 173 CA CYS A 11 88.091 -5.785 11.545 1.00 0.00 C ATOM 174 C CYS A 11 88.977 -4.874 12.389 1.00 0.00 C ATOM 175 O CYS A 11 89.063 -5.006 13.594 1.00 0.00 O ATOM 176 CB CYS A 11 88.944 -6.648 10.617 1.00 0.00 C ATOM 177 SG CYS A 11 89.944 -7.791 11.604 1.00 0.00 S ATOM 0 H CYS A 11 87.362 -5.155 9.646 1.00 0.00 H new ATOM 0 HA CYS A 11 87.497 -6.394 12.227 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.305 -7.205 9.932 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.590 -6.016 10.007 1.00 0.00 H new ATOM 182 N LYS A 12 89.627 -3.942 11.755 1.00 0.00 N ATOM 183 CA LYS A 12 90.506 -3.000 12.504 1.00 0.00 C ATOM 184 C LYS A 12 89.644 -2.010 13.293 1.00 0.00 C ATOM 185 O LYS A 12 90.049 -1.497 14.317 1.00 0.00 O ATOM 186 CB LYS A 12 91.316 -2.269 11.432 1.00 0.00 C ATOM 187 CG LYS A 12 92.321 -3.234 10.801 1.00 0.00 C ATOM 188 CD LYS A 12 93.736 -2.861 11.245 1.00 0.00 C ATOM 189 CE LYS A 12 93.900 -3.164 12.735 1.00 0.00 C ATOM 190 NZ LYS A 12 95.180 -2.510 13.123 1.00 0.00 N ATOM 0 H LYS A 12 89.589 -3.790 10.747 1.00 0.00 H new ATOM 0 HA LYS A 12 91.152 -3.511 13.218 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.650 -1.871 10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.839 -1.420 11.873 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.094 -4.258 11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.247 -3.193 9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.470 -3.422 10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.921 -1.804 11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 12 93.064 -2.769 13.312 1.00 0.00 H new ATOM 0 HE3 LYS A 12 93.934 -4.238 12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.361 -2.674 14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 95.959 -2.911 12.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 95.115 -1.487 12.944 1.00 0.00 H new ATOM 204 N ILE A 13 88.456 -1.745 12.821 1.00 0.00 N ATOM 205 CA ILE A 13 87.559 -0.793 13.539 1.00 0.00 C ATOM 206 C ILE A 13 86.113 -1.293 13.483 1.00 0.00 C ATOM 207 O ILE A 13 85.321 -0.819 12.693 1.00 0.00 O ATOM 208 CB ILE A 13 87.698 0.532 12.789 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.178 0.828 12.540 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.089 1.658 13.625 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.310 2.157 11.793 1.00 0.00 C ATOM 0 H ILE A 13 88.067 -2.147 11.968 1.00 0.00 H new ATOM 0 HA ILE A 13 87.823 -0.691 14.592 1.00 0.00 H new ATOM 0 HB ILE A 13 87.176 0.463 11.835 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.715 0.875 13.487 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.628 0.024 11.958 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.188 2.603 13.090 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.034 1.450 13.802 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.610 1.725 14.580 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.364 2.371 11.614 1.00 0.00 H new ATOM 0 HD12 ILE A 13 88.786 2.092 10.839 1.00 0.00 H new ATOM 0 HD13 ILE A 13 88.874 2.956 12.393 1.00 0.00 H new ATOM 223 N PRO A 14 85.822 -2.242 14.329 1.00 0.00 N ATOM 224 CA PRO A 14 84.461 -2.829 14.384 1.00 0.00 C ATOM 225 C PRO A 14 83.481 -1.860 15.053 1.00 0.00 C ATOM 226 O PRO A 14 82.315 -1.810 14.713 1.00 0.00 O ATOM 227 CB PRO A 14 84.648 -4.084 15.230 1.00 0.00 C ATOM 228 CG PRO A 14 85.857 -3.814 16.071 1.00 0.00 C ATOM 229 CD PRO A 14 86.730 -2.852 15.304 1.00 0.00 C ATOM 0 HA PRO A 14 84.047 -3.041 13.398 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.772 -4.275 15.850 1.00 0.00 H new ATOM 0 HB3 PRO A 14 84.793 -4.964 14.603 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.569 -3.389 17.033 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.395 -4.739 16.279 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.170 -2.102 15.962 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.555 -3.368 14.812 1.00 0.00 H new ATOM 237 N SER A 15 83.942 -1.094 16.002 1.00 0.00 N ATOM 238 CA SER A 15 83.034 -0.134 16.691 1.00 0.00 C ATOM 239 C SER A 15 82.620 0.988 15.734 1.00 0.00 C ATOM 240 O SER A 15 81.726 1.760 16.019 1.00 0.00 O ATOM 241 CB SER A 15 83.856 0.426 17.850 1.00 0.00 C ATOM 242 OG SER A 15 84.803 1.358 17.344 1.00 0.00 O ATOM 0 H SER A 15 84.908 -1.091 16.330 1.00 0.00 H new ATOM 0 HA SER A 15 82.116 -0.610 17.035 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.202 0.911 18.574 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.367 -0.382 18.373 1.00 0.00 H new ATOM 0 HG SER A 15 85.332 1.722 18.085 1.00 0.00 H new ATOM 248 N SER A 16 83.262 1.083 14.601 1.00 0.00 N ATOM 249 CA SER A 16 82.902 2.157 13.631 1.00 0.00 C ATOM 250 C SER A 16 82.653 1.557 12.245 1.00 0.00 C ATOM 251 O SER A 16 83.183 0.518 11.904 1.00 0.00 O ATOM 252 CB SER A 16 84.113 3.088 13.603 1.00 0.00 C ATOM 253 OG SER A 16 83.673 4.434 13.713 1.00 0.00 O ATOM 0 H SER A 16 84.018 0.465 14.306 1.00 0.00 H new ATOM 0 HA SER A 16 81.991 2.683 13.917 1.00 0.00 H new ATOM 0 HB2 SER A 16 84.791 2.847 14.422 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.671 2.950 12.677 1.00 0.00 H new ATOM 0 HG SER A 16 84.448 5.034 13.697 1.00 0.00 H new ATOM 259 N GLU A 17 81.852 2.202 11.444 1.00 0.00 N ATOM 260 CA GLU A 17 81.568 1.667 10.082 1.00 0.00 C ATOM 261 C GLU A 17 82.091 2.633 9.014 1.00 0.00 C ATOM 262 O GLU A 17 82.038 3.834 9.184 1.00 0.00 O ATOM 263 CB GLU A 17 80.045 1.562 10.013 1.00 0.00 C ATOM 264 CG GLU A 17 79.574 0.398 10.887 1.00 0.00 C ATOM 265 CD GLU A 17 79.229 0.916 12.285 1.00 0.00 C ATOM 266 OE1 GLU A 17 79.721 1.973 12.642 1.00 0.00 O ATOM 267 OE2 GLU A 17 78.480 0.245 12.976 1.00 0.00 O ATOM 0 H GLU A 17 81.381 3.077 11.673 1.00 0.00 H new ATOM 0 HA GLU A 17 82.053 0.707 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.590 2.493 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.727 1.409 8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 17 78.702 -0.078 10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 17 80.354 -0.361 10.951 1.00 0.00 H new ATOM 274 N PRO A 18 82.579 2.068 7.944 1.00 0.00 N ATOM 275 CA PRO A 18 83.119 2.884 6.829 1.00 0.00 C ATOM 276 C PRO A 18 81.982 3.565 6.062 1.00 0.00 C ATOM 277 O PRO A 18 82.071 4.721 5.697 1.00 0.00 O ATOM 278 CB PRO A 18 83.834 1.862 5.950 1.00 0.00 C ATOM 279 CG PRO A 18 83.164 0.559 6.249 1.00 0.00 C ATOM 280 CD PRO A 18 82.672 0.629 7.672 1.00 0.00 C ATOM 0 HA PRO A 18 83.778 3.685 7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.745 2.118 4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.899 1.820 6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.335 0.386 5.563 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.860 -0.270 6.123 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.705 0.138 7.785 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.362 0.137 8.358 1.00 0.00 H new ATOM 288 N LEU A 19 80.914 2.857 5.814 1.00 0.00 N ATOM 289 CA LEU A 19 79.774 3.467 5.070 1.00 0.00 C ATOM 290 C LEU A 19 79.175 4.619 5.879 1.00 0.00 C ATOM 291 O LEU A 19 78.645 5.565 5.332 1.00 0.00 O ATOM 292 CB LEU A 19 78.756 2.337 4.909 1.00 0.00 C ATOM 293 CG LEU A 19 79.400 1.177 4.150 1.00 0.00 C ATOM 294 CD1 LEU A 19 79.487 -0.047 5.066 1.00 0.00 C ATOM 295 CD2 LEU A 19 78.549 0.837 2.924 1.00 0.00 C ATOM 0 H LEU A 19 80.781 1.885 6.093 1.00 0.00 H new ATOM 0 HA LEU A 19 80.080 3.879 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.413 2.000 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 19 77.879 2.697 4.370 1.00 0.00 H new ATOM 0 HG LEU A 19 80.402 1.463 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 19 79.946 -0.874 4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 19 80.091 0.195 5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 19 78.485 -0.334 5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.007 0.010 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.547 0.551 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.486 1.708 2.272 1.00 0.00 H new ATOM 307 N LEU A 20 79.256 4.547 7.180 1.00 0.00 N ATOM 308 CA LEU A 20 78.693 5.638 8.026 1.00 0.00 C ATOM 309 C LEU A 20 79.809 6.578 8.491 1.00 0.00 C ATOM 310 O LEU A 20 79.570 7.544 9.188 1.00 0.00 O ATOM 311 CB LEU A 20 78.060 4.923 9.221 1.00 0.00 C ATOM 312 CG LEU A 20 76.937 4.007 8.732 1.00 0.00 C ATOM 313 CD1 LEU A 20 76.655 2.934 9.786 1.00 0.00 C ATOM 314 CD2 LEU A 20 75.671 4.833 8.497 1.00 0.00 C ATOM 0 H LEU A 20 79.688 3.779 7.694 1.00 0.00 H new ATOM 0 HA LEU A 20 77.970 6.249 7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 20 78.814 4.341 9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.666 5.653 9.928 1.00 0.00 H new ATOM 0 HG LEU A 20 77.240 3.530 7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 20 75.855 2.282 9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 20 77.556 2.344 9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.353 3.411 10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 20 74.870 4.181 8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.370 5.311 9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 20 75.869 5.597 7.745 1.00 0.00 H new ATOM 326 N ASP A 21 81.026 6.302 8.111 1.00 0.00 N ATOM 327 CA ASP A 21 82.156 7.178 8.531 1.00 0.00 C ATOM 328 C ASP A 21 83.100 7.423 7.352 1.00 0.00 C ATOM 329 O ASP A 21 83.208 8.524 6.848 1.00 0.00 O ATOM 330 CB ASP A 21 82.870 6.397 9.636 1.00 0.00 C ATOM 331 CG ASP A 21 83.422 7.371 10.678 1.00 0.00 C ATOM 332 OD1 ASP A 21 84.457 7.963 10.418 1.00 0.00 O ATOM 333 OD2 ASP A 21 82.801 7.507 11.719 1.00 0.00 O ATOM 0 H ASP A 21 81.287 5.507 7.527 1.00 0.00 H new ATOM 0 HA ASP A 21 81.817 8.155 8.875 1.00 0.00 H new ATOM 0 HB2 ASP A 21 82.178 5.699 10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 21 83.681 5.805 9.211 1.00 0.00 H new ATOM 338 N PHE A 22 83.784 6.405 6.907 1.00 0.00 N ATOM 339 CA PHE A 22 84.720 6.578 5.759 1.00 0.00 C ATOM 340 C PHE A 22 83.978 6.373 4.437 1.00 0.00 C ATOM 341 O PHE A 22 84.461 5.715 3.538 1.00 0.00 O ATOM 342 CB PHE A 22 85.786 5.497 5.948 1.00 0.00 C ATOM 343 CG PHE A 22 86.231 5.473 7.391 1.00 0.00 C ATOM 344 CD1 PHE A 22 86.756 6.629 7.979 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.115 4.297 8.140 1.00 0.00 C ATOM 346 CE1 PHE A 22 87.166 6.609 9.317 1.00 0.00 C ATOM 347 CE2 PHE A 22 86.526 4.277 9.478 1.00 0.00 C ATOM 348 CZ PHE A 22 87.051 5.433 10.066 1.00 0.00 C ATOM 0 H PHE A 22 83.736 5.460 7.289 1.00 0.00 H new ATOM 0 HA PHE A 22 85.154 7.577 5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.386 4.524 5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 22 86.638 5.694 5.297 1.00 0.00 H new ATOM 0 HD1 PHE A 22 86.845 7.537 7.400 1.00 0.00 H new ATOM 0 HD2 PHE A 22 85.709 3.405 7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 22 87.571 7.501 9.771 1.00 0.00 H new ATOM 0 HE2 PHE A 22 86.438 3.369 10.056 1.00 0.00 H new ATOM 0 HZ PHE A 22 87.368 5.417 11.098 1.00 0.00 H new ATOM 358 N ASN A 23 82.805 6.932 4.311 1.00 0.00 N ATOM 359 CA ASN A 23 82.034 6.768 3.046 1.00 0.00 C ATOM 360 C ASN A 23 82.324 7.932 2.095 1.00 0.00 C ATOM 361 O ASN A 23 81.873 9.043 2.299 1.00 0.00 O ATOM 362 CB ASN A 23 80.565 6.770 3.473 1.00 0.00 C ATOM 363 CG ASN A 23 80.237 8.087 4.178 1.00 0.00 C ATOM 364 OD1 ASN A 23 80.452 8.224 5.366 1.00 0.00 O ATOM 365 ND2 ASN A 23 79.719 9.070 3.492 1.00 0.00 N ATOM 0 H ASN A 23 82.348 7.495 5.029 1.00 0.00 H new ATOM 0 HA ASN A 23 82.300 5.854 2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 23 79.922 6.642 2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 23 80.369 5.930 4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.495 9.952 3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 23 79.538 8.956 2.495 1.00 0.00 H new ATOM 372 N ASN A 24 83.072 7.685 1.055 1.00 0.00 N ATOM 373 CA ASN A 24 83.393 8.774 0.087 1.00 0.00 C ATOM 374 C ASN A 24 83.973 9.986 0.822 1.00 0.00 C ATOM 375 O ASN A 24 83.273 10.928 1.139 1.00 0.00 O ATOM 376 CB ASN A 24 82.057 9.129 -0.568 1.00 0.00 C ATOM 377 CG ASN A 24 82.284 10.193 -1.642 1.00 0.00 C ATOM 378 OD1 ASN A 24 83.268 10.155 -2.354 1.00 0.00 O ATOM 379 ND2 ASN A 24 81.410 11.149 -1.791 1.00 0.00 N ATOM 0 H ASN A 24 83.476 6.775 0.833 1.00 0.00 H new ATOM 0 HA ASN A 24 84.137 8.466 -0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.609 8.239 -1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.358 9.498 0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 24 81.553 11.864 -2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 24 80.584 11.182 -1.194 1.00 0.00 H new ATOM 386 N TYR A 25 85.249 9.968 1.093 1.00 0.00 N ATOM 387 CA TYR A 25 85.881 11.116 1.807 1.00 0.00 C ATOM 388 C TYR A 25 87.170 11.528 1.083 1.00 0.00 C ATOM 389 O TYR A 25 87.622 10.860 0.176 1.00 0.00 O ATOM 390 CB TYR A 25 86.176 10.578 3.216 1.00 0.00 C ATOM 391 CG TYR A 25 87.364 11.294 3.819 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.663 10.886 3.492 1.00 0.00 C ATOM 393 CD2 TYR A 25 87.167 12.361 4.703 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.765 11.545 4.049 1.00 0.00 C ATOM 395 CE2 TYR A 25 88.269 13.020 5.261 1.00 0.00 C ATOM 396 CZ TYR A 25 89.568 12.613 4.933 1.00 0.00 C ATOM 397 OH TYR A 25 90.655 13.261 5.483 1.00 0.00 O ATOM 0 H TYR A 25 85.883 9.207 0.851 1.00 0.00 H new ATOM 0 HA TYR A 25 85.247 12.002 1.842 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.302 10.712 3.853 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.375 9.507 3.168 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.815 10.063 2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.165 12.676 4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.767 11.230 3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.117 13.842 5.944 1.00 0.00 H new ATOM 0 HH TYR A 25 90.344 13.979 6.073 1.00 0.00 H new ATOM 407 N GLY A 26 87.762 12.623 1.479 1.00 0.00 N ATOM 408 CA GLY A 26 89.019 13.070 0.816 1.00 0.00 C ATOM 409 C GLY A 26 88.893 12.903 -0.697 1.00 0.00 C ATOM 410 O GLY A 26 87.815 12.717 -1.225 1.00 0.00 O ATOM 0 H GLY A 26 87.429 13.226 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.219 14.113 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 26 89.863 12.488 1.186 1.00 0.00 H new ATOM 414 N CYS A 27 89.988 12.971 -1.396 1.00 0.00 N ATOM 415 CA CYS A 27 89.941 12.818 -2.878 1.00 0.00 C ATOM 416 C CYS A 27 90.259 11.375 -3.282 1.00 0.00 C ATOM 417 O CYS A 27 89.996 10.962 -4.394 1.00 0.00 O ATOM 418 CB CYS A 27 91.014 13.770 -3.405 1.00 0.00 C ATOM 419 SG CYS A 27 90.335 15.443 -3.518 1.00 0.00 S ATOM 0 H CYS A 27 90.918 13.126 -1.006 1.00 0.00 H new ATOM 0 HA CYS A 27 88.954 13.045 -3.282 1.00 0.00 H new ATOM 0 HB2 CYS A 27 91.880 13.762 -2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 27 91.359 13.439 -4.385 1.00 0.00 H new ATOM 424 N TYR A 28 90.828 10.606 -2.394 1.00 0.00 N ATOM 425 CA TYR A 28 91.163 9.194 -2.742 1.00 0.00 C ATOM 426 C TYR A 28 90.195 8.225 -2.057 1.00 0.00 C ATOM 427 O TYR A 28 89.932 7.146 -2.550 1.00 0.00 O ATOM 428 CB TYR A 28 92.588 8.989 -2.226 1.00 0.00 C ATOM 429 CG TYR A 28 93.542 9.821 -3.050 1.00 0.00 C ATOM 430 CD1 TYR A 28 93.961 9.367 -4.306 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.005 11.046 -2.557 1.00 0.00 C ATOM 432 CE1 TYR A 28 94.845 10.139 -5.069 1.00 0.00 C ATOM 433 CE2 TYR A 28 94.889 11.818 -3.320 1.00 0.00 C ATOM 434 CZ TYR A 28 95.309 11.364 -4.576 1.00 0.00 C ATOM 435 OH TYR A 28 96.180 12.125 -5.329 1.00 0.00 O ATOM 0 H TYR A 28 91.075 10.892 -1.446 1.00 0.00 H new ATOM 0 HA TYR A 28 91.084 9.005 -3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.652 9.275 -1.176 1.00 0.00 H new ATOM 0 HB3 TYR A 28 92.861 7.935 -2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 28 93.603 8.422 -4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 28 93.680 11.396 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.169 9.789 -6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.247 12.763 -2.940 1.00 0.00 H new ATOM 0 HH TYR A 28 96.088 13.069 -5.082 1.00 0.00 H new ATOM 445 N CYS A 29 89.663 8.597 -0.925 1.00 0.00 N ATOM 446 CA CYS A 29 88.712 7.690 -0.219 1.00 0.00 C ATOM 447 C CYS A 29 87.324 7.776 -0.861 1.00 0.00 C ATOM 448 O CYS A 29 86.390 8.285 -0.274 1.00 0.00 O ATOM 449 CB CYS A 29 88.667 8.198 1.224 1.00 0.00 C ATOM 450 SG CYS A 29 90.335 8.182 1.923 1.00 0.00 S ATOM 0 H CYS A 29 89.844 9.486 -0.459 1.00 0.00 H new ATOM 0 HA CYS A 29 89.024 6.647 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.259 9.208 1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.005 7.570 1.821 1.00 0.00 H new ATOM 455 N GLY A 30 87.180 7.282 -2.060 1.00 0.00 N ATOM 456 CA GLY A 30 85.852 7.337 -2.733 1.00 0.00 C ATOM 457 C GLY A 30 85.868 6.451 -3.980 1.00 0.00 C ATOM 458 O GLY A 30 85.766 5.244 -3.898 1.00 0.00 O ATOM 0 H GLY A 30 87.924 6.843 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.073 7.003 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.616 8.365 -3.009 1.00 0.00 H new ATOM 462 N LEU A 31 85.990 7.043 -5.138 1.00 0.00 N ATOM 463 CA LEU A 31 86.007 6.234 -6.391 1.00 0.00 C ATOM 464 C LEU A 31 87.257 6.555 -7.215 1.00 0.00 C ATOM 465 O LEU A 31 87.554 5.894 -8.191 1.00 0.00 O ATOM 466 CB LEU A 31 84.745 6.652 -7.146 1.00 0.00 C ATOM 467 CG LEU A 31 84.033 5.410 -7.683 1.00 0.00 C ATOM 468 CD1 LEU A 31 82.704 5.223 -6.947 1.00 0.00 C ATOM 469 CD2 LEU A 31 83.765 5.583 -9.179 1.00 0.00 C ATOM 0 H LEU A 31 86.079 8.051 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 31 86.028 5.163 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 31 84.080 7.207 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.005 7.318 -7.968 1.00 0.00 H new ATOM 0 HG LEU A 31 84.663 4.535 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 31 82.197 4.337 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 31 82.893 5.100 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 31 82.074 6.098 -7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 31 83.257 4.698 -9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 31 83.136 6.459 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 31 84.710 5.716 -9.705 1.00 0.00 H new ATOM 481 N GLY A 32 87.991 7.564 -6.834 1.00 0.00 N ATOM 482 CA GLY A 32 89.219 7.923 -7.600 1.00 0.00 C ATOM 483 C GLY A 32 90.065 8.904 -6.788 1.00 0.00 C ATOM 484 O GLY A 32 90.003 8.936 -5.574 1.00 0.00 O ATOM 0 H GLY A 32 87.794 8.155 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 32 89.797 7.026 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 32 88.945 8.369 -8.556 1.00 0.00 H new ATOM 488 N GLY A 33 90.856 9.707 -7.447 1.00 0.00 N ATOM 489 CA GLY A 33 91.706 10.687 -6.714 1.00 0.00 C ATOM 490 C GLY A 33 92.648 11.382 -7.698 1.00 0.00 C ATOM 491 O GLY A 33 93.109 10.789 -8.653 1.00 0.00 O ATOM 0 H GLY A 33 90.950 9.726 -8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 33 91.079 11.424 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 33 92.282 10.178 -5.941 1.00 0.00 H new ATOM 495 N SER A 34 92.939 12.635 -7.476 1.00 0.00 N ATOM 496 CA SER A 34 93.852 13.363 -8.404 1.00 0.00 C ATOM 497 C SER A 34 94.227 14.728 -7.820 1.00 0.00 C ATOM 498 O SER A 34 93.433 15.647 -7.806 1.00 0.00 O ATOM 499 CB SER A 34 93.051 13.536 -9.694 1.00 0.00 C ATOM 500 OG SER A 34 93.457 12.550 -10.635 1.00 0.00 O ATOM 0 H SER A 34 92.585 13.186 -6.694 1.00 0.00 H new ATOM 0 HA SER A 34 94.784 12.823 -8.571 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.985 13.442 -9.489 1.00 0.00 H new ATOM 0 HB3 SER A 34 93.210 14.534 -10.104 1.00 0.00 H new ATOM 0 HG SER A 34 93.466 11.670 -10.204 1.00 0.00 H new ATOM 506 N GLY A 35 95.432 14.866 -7.338 1.00 0.00 N ATOM 507 CA GLY A 35 95.856 16.171 -6.759 1.00 0.00 C ATOM 508 C GLY A 35 96.286 15.973 -5.305 1.00 0.00 C ATOM 509 O GLY A 35 96.108 14.917 -4.730 1.00 0.00 O ATOM 0 H GLY A 35 96.140 14.132 -7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 35 96.680 16.587 -7.339 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.036 16.887 -6.812 1.00 0.00 H new ATOM 513 N THR A 36 96.852 16.985 -4.705 1.00 0.00 N ATOM 514 CA THR A 36 97.295 16.863 -3.287 1.00 0.00 C ATOM 515 C THR A 36 96.162 16.300 -2.423 1.00 0.00 C ATOM 516 O THR A 36 95.003 16.567 -2.671 1.00 0.00 O ATOM 517 CB THR A 36 97.633 18.292 -2.858 1.00 0.00 C ATOM 518 OG1 THR A 36 98.794 18.732 -3.554 1.00 0.00 O ATOM 519 CG2 THR A 36 97.886 18.333 -1.348 1.00 0.00 C ATOM 0 H THR A 36 97.027 17.892 -5.137 1.00 0.00 H new ATOM 0 HA THR A 36 98.144 16.188 -3.176 1.00 0.00 H new ATOM 0 HB THR A 36 96.797 18.950 -3.096 1.00 0.00 H new ATOM 0 HG1 THR A 36 99.011 19.648 -3.282 1.00 0.00 H new ATOM 0 HG21 THR A 36 98.126 19.353 -1.047 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.992 18.000 -0.820 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.720 17.676 -1.101 1.00 0.00 H new ATOM 527 N PRO A 37 96.540 15.539 -1.432 1.00 0.00 N ATOM 528 CA PRO A 37 95.543 14.936 -0.515 1.00 0.00 C ATOM 529 C PRO A 37 94.941 16.011 0.394 1.00 0.00 C ATOM 530 O PRO A 37 95.343 17.157 0.364 1.00 0.00 O ATOM 531 CB PRO A 37 96.360 13.928 0.289 1.00 0.00 C ATOM 532 CG PRO A 37 97.765 14.435 0.232 1.00 0.00 C ATOM 533 CD PRO A 37 97.914 15.174 -1.073 1.00 0.00 C ATOM 0 HA PRO A 37 94.703 14.473 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.005 13.863 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.284 12.928 -0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.971 15.095 1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.475 13.610 0.292 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.545 16.056 -0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.373 14.547 -1.837 1.00 0.00 H new ATOM 541 N VAL A 38 93.974 15.655 1.194 1.00 0.00 N ATOM 542 CA VAL A 38 93.345 16.666 2.094 1.00 0.00 C ATOM 543 C VAL A 38 93.705 16.390 3.557 1.00 0.00 C ATOM 544 O VAL A 38 93.762 17.291 4.370 1.00 0.00 O ATOM 545 CB VAL A 38 91.841 16.507 1.873 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.532 16.617 0.379 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.396 15.135 2.386 1.00 0.00 C ATOM 0 H VAL A 38 93.592 14.712 1.264 1.00 0.00 H new ATOM 0 HA VAL A 38 93.689 17.677 1.876 1.00 0.00 H new ATOM 0 HB VAL A 38 91.307 17.289 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.460 16.504 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 38 91.852 17.592 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 38 92.064 15.834 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.324 15.018 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.929 14.354 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.619 15.055 3.450 1.00 0.00 H new ATOM 557 N ASP A 39 93.946 15.154 3.901 1.00 0.00 N ATOM 558 CA ASP A 39 94.296 14.834 5.316 1.00 0.00 C ATOM 559 C ASP A 39 95.069 13.515 5.391 1.00 0.00 C ATOM 560 O ASP A 39 95.475 12.964 4.387 1.00 0.00 O ATOM 561 CB ASP A 39 92.953 14.711 6.037 1.00 0.00 C ATOM 562 CG ASP A 39 93.092 15.237 7.467 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.343 16.421 7.620 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.943 14.447 8.385 1.00 0.00 O ATOM 0 H ASP A 39 93.916 14.355 3.268 1.00 0.00 H new ATOM 0 HA ASP A 39 94.933 15.597 5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.188 15.275 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.629 13.670 6.051 1.00 0.00 H new ATOM 569 N ASP A 40 95.277 13.006 6.575 1.00 0.00 N ATOM 570 CA ASP A 40 96.025 11.724 6.718 1.00 0.00 C ATOM 571 C ASP A 40 95.182 10.554 6.204 1.00 0.00 C ATOM 572 O ASP A 40 95.675 9.674 5.528 1.00 0.00 O ATOM 573 CB ASP A 40 96.282 11.581 8.219 1.00 0.00 C ATOM 574 CG ASP A 40 97.180 12.726 8.695 1.00 0.00 C ATOM 575 OD1 ASP A 40 97.625 13.491 7.856 1.00 0.00 O ATOM 576 OD2 ASP A 40 97.405 12.817 9.890 1.00 0.00 O ATOM 0 H ASP A 40 94.961 13.423 7.451 1.00 0.00 H new ATOM 0 HA ASP A 40 96.951 11.722 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 40 95.338 11.595 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.756 10.622 8.428 1.00 0.00 H new ATOM 581 N LEU A 41 93.915 10.534 6.516 1.00 0.00 N ATOM 582 CA LEU A 41 93.054 9.416 6.035 1.00 0.00 C ATOM 583 C LEU A 41 93.051 9.384 4.505 1.00 0.00 C ATOM 584 O LEU A 41 93.179 8.341 3.893 1.00 0.00 O ATOM 585 CB LEU A 41 91.655 9.723 6.566 1.00 0.00 C ATOM 586 CG LEU A 41 90.807 8.453 6.518 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.449 7.376 7.393 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.402 8.759 7.040 1.00 0.00 C ATOM 0 H LEU A 41 93.441 11.239 7.080 1.00 0.00 H new ATOM 0 HA LEU A 41 93.409 8.445 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 41 91.715 10.095 7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.190 10.507 5.968 1.00 0.00 H new ATOM 0 HG LEU A 41 90.746 8.097 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 41 90.843 6.470 7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.451 7.157 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.511 7.732 8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 41 88.796 7.854 7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.465 9.115 8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 41 88.942 9.527 6.418 1.00 0.00 H new ATOM 600 N ASP A 42 92.915 10.522 3.881 1.00 0.00 N ATOM 601 CA ASP A 42 92.914 10.555 2.393 1.00 0.00 C ATOM 602 C ASP A 42 94.238 9.993 1.871 1.00 0.00 C ATOM 603 O ASP A 42 94.279 9.288 0.882 1.00 0.00 O ATOM 604 CB ASP A 42 92.769 12.035 2.028 1.00 0.00 C ATOM 605 CG ASP A 42 92.676 12.183 0.507 1.00 0.00 C ATOM 606 OD1 ASP A 42 91.745 11.639 -0.065 1.00 0.00 O ATOM 607 OD2 ASP A 42 93.535 12.839 -0.058 1.00 0.00 O ATOM 0 H ASP A 42 92.805 11.428 4.337 1.00 0.00 H new ATOM 0 HA ASP A 42 92.114 9.956 1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 42 91.878 12.450 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 42 93.622 12.598 2.407 1.00 0.00 H new ATOM 612 N ARG A 43 95.320 10.293 2.538 1.00 0.00 N ATOM 613 CA ARG A 43 96.640 9.769 2.094 1.00 0.00 C ATOM 614 C ARG A 43 96.596 8.245 2.030 1.00 0.00 C ATOM 615 O ARG A 43 97.178 7.629 1.159 1.00 0.00 O ATOM 616 CB ARG A 43 97.624 10.222 3.171 1.00 0.00 C ATOM 617 CG ARG A 43 98.079 11.648 2.872 1.00 0.00 C ATOM 618 CD ARG A 43 99.581 11.656 2.587 1.00 0.00 C ATOM 619 NE ARG A 43 99.801 10.575 1.596 1.00 0.00 N ATOM 620 CZ ARG A 43 100.923 10.515 0.934 1.00 0.00 C ATOM 621 NH1 ARG A 43 101.172 11.385 -0.005 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.795 9.583 1.208 1.00 0.00 N ATOM 0 H ARG A 43 95.345 10.879 3.372 1.00 0.00 H new ATOM 0 HA ARG A 43 96.920 10.129 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.152 10.177 4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.484 9.552 3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.534 12.043 2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 43 97.855 12.297 3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 43 99.901 12.621 2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.154 11.477 3.497 1.00 0.00 H new ATOM 0 HE ARG A 43 99.074 9.878 1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 43 100.489 12.112 -0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 43 102.049 11.339 -0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 43 101.599 8.901 1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 43 102.672 9.537 0.690 1.00 0.00 H new ATOM 636 N CYS A 44 95.905 7.633 2.950 1.00 0.00 N ATOM 637 CA CYS A 44 95.817 6.153 2.948 1.00 0.00 C ATOM 638 C CYS A 44 95.166 5.684 1.648 1.00 0.00 C ATOM 639 O CYS A 44 95.624 4.759 1.006 1.00 0.00 O ATOM 640 CB CYS A 44 94.934 5.799 4.146 1.00 0.00 C ATOM 641 SG CYS A 44 95.544 6.643 5.627 1.00 0.00 S ATOM 0 H CYS A 44 95.398 8.098 3.703 1.00 0.00 H new ATOM 0 HA CYS A 44 96.795 5.677 3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 44 93.903 6.091 3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 44 94.935 4.721 4.304 1.00 0.00 H new ATOM 646 N CYS A 45 94.099 6.322 1.256 1.00 0.00 N ATOM 647 CA CYS A 45 93.409 5.926 -0.004 1.00 0.00 C ATOM 648 C CYS A 45 94.314 6.200 -1.208 1.00 0.00 C ATOM 649 O CYS A 45 94.405 5.402 -2.120 1.00 0.00 O ATOM 650 CB CYS A 45 92.155 6.798 -0.057 1.00 0.00 C ATOM 651 SG CYS A 45 91.092 6.398 1.350 1.00 0.00 S ATOM 0 H CYS A 45 93.673 7.103 1.755 1.00 0.00 H new ATOM 0 HA CYS A 45 93.165 4.864 -0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.430 7.853 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.620 6.630 -0.992 1.00 0.00 H new ATOM 656 N GLN A 46 94.995 7.314 -1.215 1.00 0.00 N ATOM 657 CA GLN A 46 95.902 7.617 -2.357 1.00 0.00 C ATOM 658 C GLN A 46 96.891 6.466 -2.525 1.00 0.00 C ATOM 659 O GLN A 46 97.137 5.992 -3.615 1.00 0.00 O ATOM 660 CB GLN A 46 96.631 8.900 -1.959 1.00 0.00 C ATOM 661 CG GLN A 46 97.802 9.136 -2.914 1.00 0.00 C ATOM 662 CD GLN A 46 98.469 10.464 -2.583 1.00 0.00 C ATOM 663 OE1 GLN A 46 98.074 11.146 -1.658 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.474 10.863 -3.307 1.00 0.00 N ATOM 0 H GLN A 46 94.963 8.024 -0.483 1.00 0.00 H new ATOM 0 HA GLN A 46 95.371 7.738 -3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 46 95.945 9.746 -1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 46 96.993 8.822 -0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.524 8.324 -2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.449 9.142 -3.945 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.804 10.289 -4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.932 11.750 -3.099 1.00 0.00 H new ATOM 673 N THR A 47 97.448 6.008 -1.438 1.00 0.00 N ATOM 674 CA THR A 47 98.410 4.880 -1.508 1.00 0.00 C ATOM 675 C THR A 47 97.678 3.607 -1.935 1.00 0.00 C ATOM 676 O THR A 47 98.236 2.737 -2.572 1.00 0.00 O ATOM 677 CB THR A 47 98.951 4.735 -0.086 1.00 0.00 C ATOM 678 OG1 THR A 47 99.469 5.984 0.351 1.00 0.00 O ATOM 679 CG2 THR A 47 100.062 3.683 -0.062 1.00 0.00 C ATOM 0 H THR A 47 97.275 6.371 -0.501 1.00 0.00 H new ATOM 0 HA THR A 47 99.208 5.053 -2.230 1.00 0.00 H new ATOM 0 HB THR A 47 98.145 4.422 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.748 6.517 0.747 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.446 3.582 0.953 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.663 2.725 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.870 3.991 -0.726 1.00 0.00 H new ATOM 687 N HIS A 48 96.422 3.503 -1.592 1.00 0.00 N ATOM 688 CA HIS A 48 95.636 2.301 -1.980 1.00 0.00 C ATOM 689 C HIS A 48 95.534 2.238 -3.500 1.00 0.00 C ATOM 690 O HIS A 48 95.850 1.241 -4.118 1.00 0.00 O ATOM 691 CB HIS A 48 94.258 2.517 -1.356 1.00 0.00 C ATOM 692 CG HIS A 48 93.384 1.325 -1.633 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.982 0.280 -0.840 1.00 0.00 N flip ATOM 694 CD2 HIS A 48 92.800 1.110 -2.870 1.00 0.00 C flip ATOM 695 CE1 HIS A 48 92.161 -0.574 -1.572 1.00 0.00 C flip ATOM 696 NE2 HIS A 48 92.085 -0.027 -2.789 1.00 0.00 N flip ATOM 0 H HIS A 48 95.907 4.203 -1.058 1.00 0.00 H new ATOM 0 HA HIS A 48 96.088 1.368 -1.643 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.355 2.667 -0.281 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.801 3.418 -1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 48 92.900 1.740 -3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 48 91.688 -1.483 -1.230 1.00 0.00 H new ATOM 0 HE2 HIS A 48 91.550 -0.423 -3.562 1.00 0.00 H new ATOM 704 N ASP A 49 95.106 3.308 -4.105 1.00 0.00 N ATOM 705 CA ASP A 49 94.992 3.332 -5.582 1.00 0.00 C ATOM 706 C ASP A 49 96.363 3.056 -6.198 1.00 0.00 C ATOM 707 O ASP A 49 96.501 2.273 -7.117 1.00 0.00 O ATOM 708 CB ASP A 49 94.517 4.745 -5.919 1.00 0.00 C ATOM 709 CG ASP A 49 93.000 4.829 -5.744 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.297 4.558 -6.704 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.566 5.163 -4.654 1.00 0.00 O ATOM 0 H ASP A 49 94.829 4.170 -3.635 1.00 0.00 H new ATOM 0 HA ASP A 49 94.305 2.579 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.009 5.470 -5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 49 94.790 4.997 -6.944 1.00 0.00 H new ATOM 716 N ASN A 50 97.380 3.694 -5.687 1.00 0.00 N ATOM 717 CA ASN A 50 98.747 3.474 -6.222 1.00 0.00 C ATOM 718 C ASN A 50 99.145 2.005 -6.055 1.00 0.00 C ATOM 719 O ASN A 50 99.917 1.468 -6.825 1.00 0.00 O ATOM 720 CB ASN A 50 99.651 4.375 -5.380 1.00 0.00 C ATOM 721 CG ASN A 50 99.764 5.751 -6.041 1.00 0.00 C ATOM 722 OD1 ASN A 50 99.365 5.927 -7.175 1.00 0.00 O ATOM 723 ND2 ASN A 50 100.295 6.740 -5.375 1.00 0.00 N ATOM 0 H ASN A 50 97.319 4.361 -4.918 1.00 0.00 H new ATOM 0 HA ASN A 50 98.820 3.705 -7.285 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.245 4.476 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.639 3.926 -5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.375 7.661 -5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 50 100.630 6.592 -4.423 1.00 0.00 H new ATOM 730 N CYS A 51 98.621 1.351 -5.053 1.00 0.00 N ATOM 731 CA CYS A 51 98.966 -0.083 -4.836 1.00 0.00 C ATOM 732 C CYS A 51 98.286 -0.951 -5.899 1.00 0.00 C ATOM 733 O CYS A 51 98.869 -1.880 -6.422 1.00 0.00 O ATOM 734 CB CYS A 51 98.428 -0.415 -3.443 1.00 0.00 C ATOM 735 SG CYS A 51 99.269 -1.883 -2.802 1.00 0.00 S ATOM 0 H CYS A 51 97.969 1.748 -4.376 1.00 0.00 H new ATOM 0 HA CYS A 51 100.037 -0.269 -4.910 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.585 0.429 -2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.353 -0.590 -3.489 1.00 0.00 H new ATOM 740 N TYR A 52 97.058 -0.649 -6.227 1.00 0.00 N ATOM 741 CA TYR A 52 96.346 -1.454 -7.263 1.00 0.00 C ATOM 742 C TYR A 52 97.043 -1.291 -8.614 1.00 0.00 C ATOM 743 O TYR A 52 96.989 -2.158 -9.464 1.00 0.00 O ATOM 744 CB TYR A 52 94.931 -0.875 -7.314 1.00 0.00 C ATOM 745 CG TYR A 52 94.064 -1.573 -6.293 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.434 -1.568 -4.943 1.00 0.00 C ATOM 747 CD2 TYR A 52 92.893 -2.225 -6.696 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.632 -2.214 -3.995 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.091 -2.873 -5.749 1.00 0.00 C ATOM 750 CZ TYR A 52 92.460 -2.867 -4.398 1.00 0.00 C ATOM 751 OH TYR A 52 91.670 -3.505 -3.463 1.00 0.00 O ATOM 0 H TYR A 52 96.518 0.117 -5.824 1.00 0.00 H new ATOM 0 HA TYR A 52 96.338 -2.519 -7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 52 94.957 0.196 -7.113 1.00 0.00 H new ATOM 0 HB3 TYR A 52 94.510 -1.002 -8.312 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.338 -1.066 -4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.608 -2.228 -7.738 1.00 0.00 H new ATOM 0 HE1 TYR A 52 93.917 -2.209 -2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.188 -3.377 -6.060 1.00 0.00 H new ATOM 0 HH TYR A 52 92.174 -4.240 -3.055 1.00 0.00 H new ATOM 761 N LYS A 53 97.712 -0.189 -8.811 1.00 0.00 N ATOM 762 CA LYS A 53 98.429 0.025 -10.100 1.00 0.00 C ATOM 763 C LYS A 53 99.734 -0.750 -10.045 1.00 0.00 C ATOM 764 O LYS A 53 100.048 -1.545 -10.908 1.00 0.00 O ATOM 765 CB LYS A 53 98.726 1.530 -10.192 1.00 0.00 C ATOM 766 CG LYS A 53 97.597 2.350 -9.562 1.00 0.00 C ATOM 767 CD LYS A 53 96.942 3.228 -10.630 1.00 0.00 C ATOM 768 CE LYS A 53 95.431 3.288 -10.390 1.00 0.00 C ATOM 769 NZ LYS A 53 94.971 4.502 -11.120 1.00 0.00 N ATOM 0 H LYS A 53 97.793 0.572 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 53 97.846 -0.307 -10.959 1.00 0.00 H new ATOM 0 HB2 LYS A 53 99.666 1.751 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 53 98.850 1.817 -11.236 1.00 0.00 H new ATOM 0 HG2 LYS A 53 96.855 1.686 -9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 53 97.991 2.971 -8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.365 4.232 -10.600 1.00 0.00 H new ATOM 0 HD3 LYS A 53 97.147 2.826 -11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 53 94.936 2.392 -10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 53 95.203 3.357 -9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.943 4.610 -11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.453 5.340 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.195 4.405 -12.131 1.00 0.00 H new ATOM 783 N GLN A 54 100.487 -0.522 -9.011 1.00 0.00 N ATOM 784 CA GLN A 54 101.774 -1.240 -8.851 1.00 0.00 C ATOM 785 C GLN A 54 101.531 -2.742 -8.981 1.00 0.00 C ATOM 786 O GLN A 54 102.353 -3.476 -9.495 1.00 0.00 O ATOM 787 CB GLN A 54 102.257 -0.892 -7.443 1.00 0.00 C ATOM 788 CG GLN A 54 102.787 0.542 -7.422 1.00 0.00 C ATOM 789 CD GLN A 54 103.206 0.912 -5.997 1.00 0.00 C ATOM 790 OE1 GLN A 54 102.977 0.163 -5.069 1.00 0.00 O ATOM 791 NE2 GLN A 54 103.815 2.047 -5.784 1.00 0.00 N ATOM 0 H GLN A 54 100.264 0.136 -8.265 1.00 0.00 H new ATOM 0 HA GLN A 54 102.510 -0.959 -9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.439 -0.999 -6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.040 -1.584 -7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 54 103.637 0.637 -8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 54 102.019 1.230 -7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 54 104.008 2.676 -6.563 1.00 0.00 H new ATOM 0 HE22 GLN A 54 104.098 2.304 -4.838 1.00 0.00 H new ATOM 800 N ALA A 55 100.397 -3.200 -8.525 1.00 0.00 N ATOM 801 CA ALA A 55 100.085 -4.653 -8.627 1.00 0.00 C ATOM 802 C ALA A 55 99.824 -5.019 -10.088 1.00 0.00 C ATOM 803 O ALA A 55 100.128 -6.108 -10.531 1.00 0.00 O ATOM 804 CB ALA A 55 98.821 -4.849 -7.789 1.00 0.00 C ATOM 0 H ALA A 55 99.673 -2.630 -8.086 1.00 0.00 H new ATOM 0 HA ALA A 55 100.902 -5.283 -8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.527 -5.898 -7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.018 -4.552 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.016 -4.236 -8.196 1.00 0.00 H new ATOM 810 N LYS A 56 99.269 -4.113 -10.843 1.00 0.00 N ATOM 811 CA LYS A 56 98.999 -4.406 -12.277 1.00 0.00 C ATOM 812 C LYS A 56 100.324 -4.544 -13.033 1.00 0.00 C ATOM 813 O LYS A 56 100.537 -5.489 -13.765 1.00 0.00 O ATOM 814 CB LYS A 56 98.206 -3.200 -12.786 1.00 0.00 C ATOM 815 CG LYS A 56 96.742 -3.340 -12.365 1.00 0.00 C ATOM 816 CD LYS A 56 95.941 -2.146 -12.890 1.00 0.00 C ATOM 817 CE LYS A 56 94.963 -2.621 -13.967 1.00 0.00 C ATOM 818 NZ LYS A 56 95.824 -3.088 -15.089 1.00 0.00 N ATOM 0 H LYS A 56 98.991 -3.183 -10.529 1.00 0.00 H new ATOM 0 HA LYS A 56 98.450 -5.337 -12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 56 98.625 -2.278 -12.382 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.279 -3.135 -13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.328 -4.269 -12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.669 -3.391 -11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 56 95.397 -1.672 -12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 56 96.615 -1.395 -13.302 1.00 0.00 H new ATOM 0 HE2 LYS A 56 94.327 -3.425 -13.596 1.00 0.00 H new ATOM 0 HE3 LYS A 56 94.303 -1.814 -14.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 95.283 -3.059 -15.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 96.656 -2.469 -15.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 96.135 -4.063 -14.905 1.00 0.00 H new ATOM 832 N LYS A 57 101.214 -3.606 -12.859 1.00 0.00 N ATOM 833 CA LYS A 57 102.524 -3.677 -13.560 1.00 0.00 C ATOM 834 C LYS A 57 103.259 -4.967 -13.186 1.00 0.00 C ATOM 835 O LYS A 57 103.987 -5.531 -13.979 1.00 0.00 O ATOM 836 CB LYS A 57 103.301 -2.457 -13.065 1.00 0.00 C ATOM 837 CG LYS A 57 102.999 -1.254 -13.960 1.00 0.00 C ATOM 838 CD LYS A 57 104.310 -0.586 -14.377 1.00 0.00 C ATOM 839 CE LYS A 57 105.148 -0.282 -13.133 1.00 0.00 C ATOM 840 NZ LYS A 57 106.287 0.538 -13.631 1.00 0.00 N ATOM 0 H LYS A 57 101.088 -2.791 -12.259 1.00 0.00 H new ATOM 0 HA LYS A 57 102.412 -3.680 -14.644 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.027 -2.233 -12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.370 -2.668 -13.072 1.00 0.00 H new ATOM 0 HG2 LYS A 57 102.445 -1.574 -14.842 1.00 0.00 H new ATOM 0 HG3 LYS A 57 102.368 -0.541 -13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 57 104.865 -1.239 -15.051 1.00 0.00 H new ATOM 0 HD3 LYS A 57 104.104 0.335 -14.923 1.00 0.00 H new ATOM 0 HE2 LYS A 57 104.567 0.260 -12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 57 105.498 -1.199 -12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 106.909 0.787 -12.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 106.826 -0.007 -14.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 105.923 1.407 -14.071 1.00 0.00 H new ATOM 854 N LEU A 58 103.078 -5.433 -11.981 1.00 0.00 N ATOM 855 CA LEU A 58 103.768 -6.680 -11.548 1.00 0.00 C ATOM 856 C LEU A 58 103.637 -7.764 -12.621 1.00 0.00 C ATOM 857 O LEU A 58 102.594 -7.931 -13.223 1.00 0.00 O ATOM 858 CB LEU A 58 103.050 -7.106 -10.268 1.00 0.00 C ATOM 859 CG LEU A 58 103.947 -6.834 -9.060 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.083 -6.721 -7.802 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.940 -7.988 -8.892 1.00 0.00 C ATOM 0 H LEU A 58 102.480 -5.002 -11.276 1.00 0.00 H new ATOM 0 HA LEU A 58 104.835 -6.523 -11.387 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.112 -6.560 -10.167 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.799 -8.166 -10.316 1.00 0.00 H new ATOM 0 HG LEU A 58 104.493 -5.903 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 58 103.720 -6.527 -6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.373 -5.902 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.539 -7.653 -7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.580 -7.795 -8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.394 -8.918 -8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.554 -8.073 -9.789 1.00 0.00 H new ATOM 873 N ASP A 59 104.682 -8.508 -12.862 1.00 0.00 N ATOM 874 CA ASP A 59 104.605 -9.583 -13.893 1.00 0.00 C ATOM 875 C ASP A 59 103.528 -10.597 -13.505 1.00 0.00 C ATOM 876 O ASP A 59 102.575 -10.814 -14.230 1.00 0.00 O ATOM 877 CB ASP A 59 105.985 -10.240 -13.892 1.00 0.00 C ATOM 878 CG ASP A 59 106.237 -10.897 -15.252 1.00 0.00 C ATOM 879 OD1 ASP A 59 105.915 -10.280 -16.254 1.00 0.00 O ATOM 880 OD2 ASP A 59 106.745 -12.006 -15.268 1.00 0.00 O ATOM 0 H ASP A 59 105.583 -8.419 -12.392 1.00 0.00 H new ATOM 0 HA ASP A 59 104.344 -9.195 -14.878 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.754 -9.495 -13.688 1.00 0.00 H new ATOM 0 HB3 ASP A 59 106.044 -10.986 -13.099 1.00 0.00 H new ATOM 885 N SER A 60 103.668 -11.220 -12.367 1.00 0.00 N ATOM 886 CA SER A 60 102.653 -12.218 -11.930 1.00 0.00 C ATOM 887 C SER A 60 101.245 -11.690 -12.212 1.00 0.00 C ATOM 888 O SER A 60 100.387 -12.404 -12.693 1.00 0.00 O ATOM 889 CB SER A 60 102.875 -12.377 -10.427 1.00 0.00 C ATOM 890 OG SER A 60 101.899 -13.268 -9.902 1.00 0.00 O ATOM 0 H SER A 60 104.444 -11.080 -11.720 1.00 0.00 H new ATOM 0 HA SER A 60 102.750 -13.167 -12.457 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.877 -12.761 -10.234 1.00 0.00 H new ATOM 0 HB3 SER A 60 102.804 -11.408 -9.932 1.00 0.00 H new ATOM 0 HG SER A 60 101.935 -13.252 -8.923 1.00 0.00 H new ATOM 896 N CYS A 61 101.002 -10.442 -11.919 1.00 0.00 N ATOM 897 CA CYS A 61 99.651 -9.869 -12.174 1.00 0.00 C ATOM 898 C CYS A 61 99.453 -9.646 -13.676 1.00 0.00 C ATOM 899 O CYS A 61 98.371 -9.819 -14.202 1.00 0.00 O ATOM 900 CB CYS A 61 99.638 -8.537 -11.425 1.00 0.00 C ATOM 901 SG CYS A 61 99.851 -8.841 -9.654 1.00 0.00 S ATOM 0 H CYS A 61 101.680 -9.796 -11.515 1.00 0.00 H new ATOM 0 HA CYS A 61 98.849 -10.528 -11.841 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.436 -7.892 -11.793 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.698 -8.015 -11.605 1.00 0.00 H new ATOM 906 N LYS A 62 100.491 -9.265 -14.368 1.00 0.00 N ATOM 907 CA LYS A 62 100.365 -9.033 -15.836 1.00 0.00 C ATOM 908 C LYS A 62 100.062 -10.350 -16.557 1.00 0.00 C ATOM 909 O LYS A 62 99.428 -10.370 -17.593 1.00 0.00 O ATOM 910 CB LYS A 62 101.726 -8.486 -16.269 1.00 0.00 C ATOM 911 CG LYS A 62 101.710 -6.959 -16.188 1.00 0.00 C ATOM 912 CD LYS A 62 102.758 -6.385 -17.145 1.00 0.00 C ATOM 913 CE LYS A 62 102.078 -5.944 -18.443 1.00 0.00 C ATOM 914 NZ LYS A 62 103.041 -6.301 -19.522 1.00 0.00 N ATOM 0 H LYS A 62 101.421 -9.104 -13.981 1.00 0.00 H new ATOM 0 HA LYS A 62 99.554 -8.346 -16.077 1.00 0.00 H new ATOM 0 HB2 LYS A 62 102.512 -8.887 -15.628 1.00 0.00 H new ATOM 0 HB3 LYS A 62 101.951 -8.805 -17.287 1.00 0.00 H new ATOM 0 HG2 LYS A 62 100.721 -6.581 -16.446 1.00 0.00 H new ATOM 0 HG3 LYS A 62 101.918 -6.636 -15.168 1.00 0.00 H new ATOM 0 HD2 LYS A 62 103.264 -5.538 -16.681 1.00 0.00 H new ATOM 0 HD3 LYS A 62 103.520 -7.134 -17.358 1.00 0.00 H new ATOM 0 HE2 LYS A 62 101.124 -6.452 -18.581 1.00 0.00 H new ATOM 0 HE3 LYS A 62 101.871 -4.874 -18.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 102.645 -6.029 -20.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 103.938 -5.797 -19.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 103.213 -7.327 -19.508 1.00 0.00 H new ATOM 928 N VAL A 63 100.511 -11.450 -16.017 1.00 0.00 N ATOM 929 CA VAL A 63 100.248 -12.764 -16.675 1.00 0.00 C ATOM 930 C VAL A 63 99.011 -13.428 -16.064 1.00 0.00 C ATOM 931 O VAL A 63 98.830 -14.625 -16.156 1.00 0.00 O ATOM 932 CB VAL A 63 101.497 -13.602 -16.400 1.00 0.00 C ATOM 933 CG1 VAL A 63 102.731 -12.876 -16.938 1.00 0.00 C ATOM 934 CG2 VAL A 63 101.645 -13.812 -14.892 1.00 0.00 C ATOM 0 H VAL A 63 101.047 -11.497 -15.151 1.00 0.00 H new ATOM 0 HA VAL A 63 100.054 -12.658 -17.742 1.00 0.00 H new ATOM 0 HB VAL A 63 101.402 -14.568 -16.896 1.00 0.00 H new ATOM 0 HG11 VAL A 63 103.620 -13.475 -16.741 1.00 0.00 H new ATOM 0 HG12 VAL A 63 102.625 -12.726 -18.012 1.00 0.00 H new ATOM 0 HG13 VAL A 63 102.828 -11.909 -16.444 1.00 0.00 H new ATOM 0 HG21 VAL A 63 102.535 -14.409 -14.693 1.00 0.00 H new ATOM 0 HG22 VAL A 63 101.739 -12.845 -14.398 1.00 0.00 H new ATOM 0 HG23 VAL A 63 100.767 -14.331 -14.509 1.00 0.00 H new ATOM 944 N LEU A 64 98.159 -12.660 -15.442 1.00 0.00 N ATOM 945 CA LEU A 64 96.933 -13.250 -14.830 1.00 0.00 C ATOM 946 C LEU A 64 95.687 -12.726 -15.546 1.00 0.00 C ATOM 947 O LEU A 64 95.066 -13.423 -16.324 1.00 0.00 O ATOM 948 CB LEU A 64 96.952 -12.784 -13.373 1.00 0.00 C ATOM 949 CG LEU A 64 97.816 -13.734 -12.544 1.00 0.00 C ATOM 950 CD1 LEU A 64 97.920 -13.213 -11.110 1.00 0.00 C ATOM 951 CD2 LEU A 64 97.178 -15.124 -12.533 1.00 0.00 C ATOM 0 H LEU A 64 98.258 -11.651 -15.331 1.00 0.00 H new ATOM 0 HA LEU A 64 96.913 -14.337 -14.907 1.00 0.00 H new ATOM 0 HB2 LEU A 64 97.345 -11.769 -13.310 1.00 0.00 H new ATOM 0 HB3 LEU A 64 95.937 -12.758 -12.975 1.00 0.00 H new ATOM 0 HG LEU A 64 98.812 -13.792 -12.983 1.00 0.00 H new ATOM 0 HD11 LEU A 64 98.536 -13.891 -10.520 1.00 0.00 H new ATOM 0 HD12 LEU A 64 98.374 -12.222 -11.115 1.00 0.00 H new ATOM 0 HD13 LEU A 64 96.924 -13.154 -10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 64 97.794 -15.802 -11.942 1.00 0.00 H new ATOM 0 HD22 LEU A 64 96.182 -15.064 -12.095 1.00 0.00 H new ATOM 0 HD23 LEU A 64 97.104 -15.498 -13.554 1.00 0.00 H new ATOM 963 N VAL A 65 95.320 -11.501 -15.294 1.00 0.00 N ATOM 964 CA VAL A 65 94.127 -10.927 -15.958 1.00 0.00 C ATOM 965 C VAL A 65 94.276 -9.418 -16.075 1.00 0.00 C ATOM 966 O VAL A 65 93.319 -8.682 -16.206 1.00 0.00 O ATOM 967 CB VAL A 65 92.968 -11.281 -15.044 1.00 0.00 C ATOM 968 CG1 VAL A 65 91.668 -10.711 -15.614 1.00 0.00 C ATOM 969 CG2 VAL A 65 92.856 -12.803 -14.923 1.00 0.00 C ATOM 0 H VAL A 65 95.801 -10.872 -14.651 1.00 0.00 H new ATOM 0 HA VAL A 65 93.982 -11.312 -16.967 1.00 0.00 H new ATOM 0 HB VAL A 65 93.144 -10.853 -14.057 1.00 0.00 H new ATOM 0 HG11 VAL A 65 90.839 -10.967 -14.955 1.00 0.00 H new ATOM 0 HG12 VAL A 65 91.749 -9.627 -15.691 1.00 0.00 H new ATOM 0 HG13 VAL A 65 91.489 -11.132 -16.603 1.00 0.00 H new ATOM 0 HG21 VAL A 65 92.023 -13.056 -14.266 1.00 0.00 H new ATOM 0 HG22 VAL A 65 92.684 -13.235 -15.909 1.00 0.00 H new ATOM 0 HG23 VAL A 65 93.780 -13.204 -14.507 1.00 0.00 H new ATOM 979 N ASP A 66 95.486 -8.975 -16.031 1.00 0.00 N ATOM 980 CA ASP A 66 95.780 -7.516 -16.136 1.00 0.00 C ATOM 981 C ASP A 66 94.718 -6.699 -15.398 1.00 0.00 C ATOM 982 O ASP A 66 94.129 -5.789 -15.946 1.00 0.00 O ATOM 983 CB ASP A 66 95.747 -7.213 -17.635 1.00 0.00 C ATOM 984 CG ASP A 66 96.237 -5.784 -17.877 1.00 0.00 C ATOM 985 OD1 ASP A 66 97.438 -5.574 -17.830 1.00 0.00 O ATOM 986 OD2 ASP A 66 95.402 -4.923 -18.105 1.00 0.00 O ATOM 0 H ASP A 66 96.309 -9.568 -15.925 1.00 0.00 H new ATOM 0 HA ASP A 66 96.739 -7.258 -15.687 1.00 0.00 H new ATOM 0 HB2 ASP A 66 96.377 -7.921 -18.174 1.00 0.00 H new ATOM 0 HB3 ASP A 66 94.734 -7.331 -18.019 1.00 0.00 H new ATOM 991 N ASN A 67 94.469 -7.016 -14.158 1.00 0.00 N ATOM 992 CA ASN A 67 93.446 -6.255 -13.384 1.00 0.00 C ATOM 993 C ASN A 67 93.206 -6.912 -12.021 1.00 0.00 C ATOM 994 O ASN A 67 92.676 -8.002 -11.944 1.00 0.00 O ATOM 995 CB ASN A 67 92.174 -6.317 -14.232 1.00 0.00 C ATOM 996 CG ASN A 67 91.606 -4.908 -14.407 1.00 0.00 C ATOM 997 OD1 ASN A 67 91.508 -4.158 -13.457 1.00 0.00 O ATOM 998 ND2 ASN A 67 91.224 -4.514 -15.591 1.00 0.00 N ATOM 0 H ASN A 67 94.929 -7.769 -13.646 1.00 0.00 H new ATOM 0 HA ASN A 67 93.762 -5.230 -13.192 1.00 0.00 H new ATOM 0 HB2 ASN A 67 92.395 -6.755 -15.206 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.436 -6.961 -13.753 1.00 0.00 H new ATOM 0 HD21 ASN A 67 90.843 -3.576 -15.718 1.00 0.00 H new ATOM 0 HD22 ASN A 67 91.306 -5.144 -16.389 1.00 0.00 H new ATOM 1005 N PRO A 68 93.601 -6.219 -10.987 1.00 0.00 N ATOM 1006 CA PRO A 68 93.420 -6.739 -9.609 1.00 0.00 C ATOM 1007 C PRO A 68 91.945 -6.668 -9.207 1.00 0.00 C ATOM 1008 O PRO A 68 91.488 -7.397 -8.349 1.00 0.00 O ATOM 1009 CB PRO A 68 94.262 -5.795 -8.755 1.00 0.00 C ATOM 1010 CG PRO A 68 94.339 -4.526 -9.543 1.00 0.00 C ATOM 1011 CD PRO A 68 94.246 -4.902 -11.000 1.00 0.00 C ATOM 0 HA PRO A 68 93.718 -7.782 -9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 68 93.802 -5.628 -7.781 1.00 0.00 H new ATOM 0 HB3 PRO A 68 95.254 -6.207 -8.572 1.00 0.00 H new ATOM 0 HG2 PRO A 68 93.529 -3.851 -9.267 1.00 0.00 H new ATOM 0 HG3 PRO A 68 95.273 -4.002 -9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 68 93.659 -4.176 -11.563 1.00 0.00 H new ATOM 0 HD3 PRO A 68 95.231 -4.945 -11.465 1.00 0.00 H new ATOM 1019 N TYR A 69 91.196 -5.795 -9.825 1.00 0.00 N ATOM 1020 CA TYR A 69 89.751 -5.675 -9.482 1.00 0.00 C ATOM 1021 C TYR A 69 89.047 -7.017 -9.699 1.00 0.00 C ATOM 1022 O TYR A 69 88.541 -7.621 -8.775 1.00 0.00 O ATOM 1023 CB TYR A 69 89.202 -4.621 -10.444 1.00 0.00 C ATOM 1024 CG TYR A 69 89.176 -3.264 -9.752 1.00 0.00 C ATOM 1025 CD1 TYR A 69 88.676 -3.152 -8.449 1.00 0.00 C ATOM 1026 CD2 TYR A 69 89.651 -2.129 -10.420 1.00 0.00 C ATOM 1027 CE1 TYR A 69 88.652 -1.905 -7.814 1.00 0.00 C ATOM 1028 CE2 TYR A 69 89.626 -0.882 -9.785 1.00 0.00 C ATOM 1029 CZ TYR A 69 89.127 -0.769 -8.482 1.00 0.00 C ATOM 1030 OH TYR A 69 89.102 0.460 -7.857 1.00 0.00 O ATOM 0 H TYR A 69 91.523 -5.160 -10.553 1.00 0.00 H new ATOM 0 HA TYR A 69 89.594 -5.396 -8.440 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.822 -4.573 -11.339 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.198 -4.896 -10.766 1.00 0.00 H new ATOM 0 HD1 TYR A 69 88.309 -4.028 -7.934 1.00 0.00 H new ATOM 0 HD2 TYR A 69 90.037 -2.216 -11.425 1.00 0.00 H new ATOM 0 HE1 TYR A 69 88.267 -1.819 -6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 69 89.992 -0.006 -10.301 1.00 0.00 H new ATOM 0 HH TYR A 69 89.469 1.141 -8.459 1.00 0.00 H new ATOM 1040 N THR A 70 89.012 -7.487 -10.916 1.00 0.00 N ATOM 1041 CA THR A 70 88.345 -8.786 -11.193 1.00 0.00 C ATOM 1042 C THR A 70 88.910 -9.869 -10.274 1.00 0.00 C ATOM 1043 O THR A 70 88.279 -10.874 -10.015 1.00 0.00 O ATOM 1044 CB THR A 70 88.672 -9.098 -12.655 1.00 0.00 C ATOM 1045 OG1 THR A 70 90.080 -9.226 -12.805 1.00 0.00 O ATOM 1046 CG2 THR A 70 88.160 -7.965 -13.548 1.00 0.00 C ATOM 0 H THR A 70 89.418 -7.025 -11.730 1.00 0.00 H new ATOM 0 HA THR A 70 87.270 -8.746 -11.018 1.00 0.00 H new ATOM 0 HB THR A 70 88.189 -10.031 -12.946 1.00 0.00 H new ATOM 0 HG1 THR A 70 90.321 -9.108 -13.748 1.00 0.00 H new ATOM 0 HG21 THR A 70 88.394 -8.188 -14.589 1.00 0.00 H new ATOM 0 HG22 THR A 70 87.081 -7.869 -13.431 1.00 0.00 H new ATOM 0 HG23 THR A 70 88.641 -7.030 -13.261 1.00 0.00 H new ATOM 1054 N ASN A 71 90.101 -9.669 -9.781 1.00 0.00 N ATOM 1055 CA ASN A 71 90.719 -10.682 -8.879 1.00 0.00 C ATOM 1056 C ASN A 71 90.139 -10.564 -7.467 1.00 0.00 C ATOM 1057 O ASN A 71 90.070 -9.490 -6.902 1.00 0.00 O ATOM 1058 CB ASN A 71 92.210 -10.347 -8.876 1.00 0.00 C ATOM 1059 CG ASN A 71 92.963 -11.373 -8.026 1.00 0.00 C ATOM 1060 OD1 ASN A 71 93.893 -11.032 -7.322 1.00 0.00 O ATOM 1061 ND2 ASN A 71 92.597 -12.626 -8.060 1.00 0.00 N ATOM 0 H ASN A 71 90.675 -8.846 -9.964 1.00 0.00 H new ATOM 0 HA ASN A 71 90.529 -11.702 -9.213 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.596 -10.350 -9.895 1.00 0.00 H new ATOM 0 HB3 ASN A 71 92.367 -9.344 -8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 71 93.092 -13.317 -7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 71 91.817 -12.913 -8.650 1.00 0.00 H new ATOM 1068 N ASN A 72 89.725 -11.660 -6.892 1.00 0.00 N ATOM 1069 CA ASN A 72 89.155 -11.610 -5.515 1.00 0.00 C ATOM 1070 C ASN A 72 90.035 -12.411 -4.551 1.00 0.00 C ATOM 1071 O ASN A 72 89.916 -13.615 -4.441 1.00 0.00 O ATOM 1072 CB ASN A 72 87.771 -12.249 -5.633 1.00 0.00 C ATOM 1073 CG ASN A 72 86.868 -11.359 -6.489 1.00 0.00 C ATOM 1074 OD1 ASN A 72 86.177 -10.502 -5.973 1.00 0.00 O ATOM 1075 ND2 ASN A 72 86.847 -11.523 -7.782 1.00 0.00 N ATOM 0 H ASN A 72 89.757 -12.587 -7.316 1.00 0.00 H new ATOM 0 HA ASN A 72 89.101 -10.593 -5.128 1.00 0.00 H new ATOM 0 HB2 ASN A 72 87.853 -13.239 -6.081 1.00 0.00 H new ATOM 0 HB3 ASN A 72 87.335 -12.382 -4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 72 86.251 -10.932 -8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 72 87.427 -12.242 -8.214 1.00 0.00 H new ATOM 1082 N TYR A 73 90.919 -11.750 -3.856 1.00 0.00 N ATOM 1083 CA TYR A 73 91.808 -12.472 -2.902 1.00 0.00 C ATOM 1084 C TYR A 73 91.030 -12.873 -1.647 1.00 0.00 C ATOM 1085 O TYR A 73 90.021 -12.282 -1.316 1.00 0.00 O ATOM 1086 CB TYR A 73 92.903 -11.466 -2.550 1.00 0.00 C ATOM 1087 CG TYR A 73 92.305 -10.351 -1.728 1.00 0.00 C ATOM 1088 CD1 TYR A 73 92.037 -10.551 -0.368 1.00 0.00 C ATOM 1089 CD2 TYR A 73 92.012 -9.120 -2.326 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.476 -9.519 0.394 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.452 -8.088 -1.564 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.184 -8.288 -0.204 1.00 0.00 C ATOM 1093 OH TYR A 73 90.630 -7.271 0.547 1.00 0.00 O ATOM 0 H TYR A 73 91.064 -10.742 -3.907 1.00 0.00 H new ATOM 0 HA TYR A 73 92.212 -13.389 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 73 93.700 -11.958 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 73 93.351 -11.064 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 73 92.263 -11.501 0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 73 92.218 -8.966 -3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 73 91.269 -9.673 1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.227 -7.138 -2.025 1.00 0.00 H new ATOM 0 HH TYR A 73 90.666 -6.433 0.040 1.00 0.00 H new ATOM 1103 N SER A 74 91.494 -13.869 -0.944 1.00 0.00 N ATOM 1104 CA SER A 74 90.784 -14.303 0.293 1.00 0.00 C ATOM 1105 C SER A 74 91.510 -13.764 1.527 1.00 0.00 C ATOM 1106 O SER A 74 92.661 -13.380 1.461 1.00 0.00 O ATOM 1107 CB SER A 74 90.836 -15.830 0.264 1.00 0.00 C ATOM 1108 OG SER A 74 90.395 -16.337 1.517 1.00 0.00 O ATOM 0 H SER A 74 92.334 -14.401 -1.172 1.00 0.00 H new ATOM 0 HA SER A 74 89.760 -13.933 0.337 1.00 0.00 H new ATOM 0 HB2 SER A 74 90.205 -16.212 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 74 91.852 -16.167 0.059 1.00 0.00 H new ATOM 0 HG SER A 74 90.425 -17.316 1.503 1.00 0.00 H new ATOM 1114 N TYR A 75 90.851 -13.730 2.652 1.00 0.00 N ATOM 1115 CA TYR A 75 91.514 -13.214 3.883 1.00 0.00 C ATOM 1116 C TYR A 75 90.674 -13.548 5.119 1.00 0.00 C ATOM 1117 O TYR A 75 89.668 -14.225 5.035 1.00 0.00 O ATOM 1118 CB TYR A 75 91.606 -11.698 3.676 1.00 0.00 C ATOM 1119 CG TYR A 75 90.259 -11.049 3.978 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.171 -11.256 3.122 1.00 0.00 C ATOM 1121 CD2 TYR A 75 90.112 -10.245 5.115 1.00 0.00 C ATOM 1122 CE1 TYR A 75 87.935 -10.660 3.403 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.877 -9.649 5.396 1.00 0.00 C ATOM 1124 CZ TYR A 75 87.788 -9.857 4.540 1.00 0.00 C ATOM 1125 OH TYR A 75 86.571 -9.268 4.817 1.00 0.00 O ATOM 0 H TYR A 75 89.885 -14.036 2.772 1.00 0.00 H new ATOM 0 HA TYR A 75 92.495 -13.660 4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.375 -11.280 4.326 1.00 0.00 H new ATOM 0 HB3 TYR A 75 91.903 -11.480 2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.285 -11.875 2.245 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.952 -10.085 5.775 1.00 0.00 H new ATOM 0 HE1 TYR A 75 87.096 -10.820 2.743 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.764 -9.029 6.273 1.00 0.00 H new ATOM 0 HH TYR A 75 86.641 -8.745 5.643 1.00 0.00 H new ATOM 1135 N SER A 76 91.079 -13.077 6.266 1.00 0.00 N ATOM 1136 CA SER A 76 90.306 -13.366 7.507 1.00 0.00 C ATOM 1137 C SER A 76 90.547 -12.268 8.544 1.00 0.00 C ATOM 1138 O SER A 76 91.389 -11.411 8.367 1.00 0.00 O ATOM 1139 CB SER A 76 90.843 -14.706 8.007 1.00 0.00 C ATOM 1140 OG SER A 76 89.812 -15.683 7.932 1.00 0.00 O ATOM 0 H SER A 76 91.912 -12.504 6.398 1.00 0.00 H new ATOM 0 HA SER A 76 89.232 -13.402 7.327 1.00 0.00 H new ATOM 0 HB2 SER A 76 91.698 -15.016 7.405 1.00 0.00 H new ATOM 0 HB3 SER A 76 91.194 -14.610 9.034 1.00 0.00 H new ATOM 0 HG SER A 76 90.154 -16.544 8.251 1.00 0.00 H new ATOM 1146 N CYS A 77 89.819 -12.286 9.626 1.00 0.00 N ATOM 1147 CA CYS A 77 90.015 -11.241 10.671 1.00 0.00 C ATOM 1148 C CYS A 77 90.191 -11.895 12.036 1.00 0.00 C ATOM 1149 O CYS A 77 89.922 -13.065 12.222 1.00 0.00 O ATOM 1150 CB CYS A 77 88.743 -10.396 10.637 1.00 0.00 C ATOM 1151 SG CYS A 77 88.675 -9.292 12.071 1.00 0.00 S ATOM 0 H CYS A 77 89.098 -12.977 9.832 1.00 0.00 H new ATOM 0 HA CYS A 77 90.904 -10.637 10.490 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.713 -9.810 9.718 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.868 -11.046 10.629 1.00 0.00 H new ATOM 1156 N SER A 78 90.645 -11.137 12.989 1.00 0.00 N ATOM 1157 CA SER A 78 90.858 -11.682 14.366 1.00 0.00 C ATOM 1158 C SER A 78 91.737 -10.725 15.177 1.00 0.00 C ATOM 1159 O SER A 78 92.561 -10.018 14.632 1.00 0.00 O ATOM 1160 CB SER A 78 91.573 -13.021 14.174 1.00 0.00 C ATOM 1161 OG SER A 78 92.463 -13.238 15.261 1.00 0.00 O ATOM 0 H SER A 78 90.882 -10.151 12.877 1.00 0.00 H new ATOM 0 HA SER A 78 89.919 -11.801 14.906 1.00 0.00 H new ATOM 0 HB2 SER A 78 90.845 -13.830 14.118 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.123 -13.021 13.233 1.00 0.00 H new ATOM 0 HG SER A 78 92.922 -14.096 15.142 1.00 0.00 H new ATOM 1167 N ASN A 79 91.569 -10.700 16.472 1.00 0.00 N ATOM 1168 CA ASN A 79 92.397 -9.788 17.316 1.00 0.00 C ATOM 1169 C ASN A 79 92.532 -8.426 16.636 1.00 0.00 C ATOM 1170 O ASN A 79 93.614 -7.892 16.495 1.00 0.00 O ATOM 1171 CB ASN A 79 93.761 -10.472 17.428 1.00 0.00 C ATOM 1172 CG ASN A 79 93.777 -11.384 18.656 1.00 0.00 C ATOM 1173 OD1 ASN A 79 93.943 -10.924 19.768 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.611 -12.669 18.501 1.00 0.00 N ATOM 0 H ASN A 79 90.895 -11.271 16.982 1.00 0.00 H new ATOM 0 HA ASN A 79 91.952 -9.614 18.296 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.963 -11.053 16.528 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.549 -9.723 17.508 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.621 -13.286 19.313 1.00 0.00 H new ATOM 0 HD22 ASN A 79 93.472 -13.056 17.568 1.00 0.00 H new ATOM 1181 N ASN A 80 91.437 -7.864 16.212 1.00 0.00 N ATOM 1182 CA ASN A 80 91.483 -6.549 15.539 1.00 0.00 C ATOM 1183 C ASN A 80 92.631 -6.529 14.544 1.00 0.00 C ATOM 1184 O ASN A 80 93.337 -5.552 14.394 1.00 0.00 O ATOM 1185 CB ASN A 80 91.691 -5.539 16.658 1.00 0.00 C ATOM 1186 CG ASN A 80 90.782 -5.864 17.816 1.00 0.00 C ATOM 1187 OD1 ASN A 80 91.193 -5.844 18.959 1.00 0.00 O ATOM 1188 ND2 ASN A 80 89.557 -6.166 17.573 1.00 0.00 N ATOM 0 H ASN A 80 90.505 -8.268 16.306 1.00 0.00 H new ATOM 0 HA ASN A 80 90.577 -6.325 14.975 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.731 -5.554 16.985 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.486 -4.532 16.294 1.00 0.00 H new ATOM 0 HD21 ASN A 80 88.925 -6.390 18.341 1.00 0.00 H new ATOM 0 HD22 ASN A 80 89.217 -6.181 16.612 1.00 0.00 H new ATOM 1195 N GLU A 81 92.808 -7.617 13.860 1.00 0.00 N ATOM 1196 CA GLU A 81 93.892 -7.707 12.857 1.00 0.00 C ATOM 1197 C GLU A 81 93.372 -8.327 11.562 1.00 0.00 C ATOM 1198 O GLU A 81 92.378 -9.024 11.548 1.00 0.00 O ATOM 1199 CB GLU A 81 94.958 -8.597 13.487 1.00 0.00 C ATOM 1200 CG GLU A 81 95.729 -7.794 14.530 1.00 0.00 C ATOM 1201 CD GLU A 81 97.230 -7.913 14.264 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.623 -8.867 13.612 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.962 -7.049 14.718 1.00 0.00 O ATOM 0 H GLU A 81 92.239 -8.458 13.955 1.00 0.00 H new ATOM 0 HA GLU A 81 94.288 -6.724 12.600 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.494 -9.468 13.951 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.638 -8.968 12.721 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.425 -6.748 14.495 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.497 -8.160 15.530 1.00 0.00 H new ATOM 1210 N ILE A 82 94.038 -8.076 10.474 1.00 0.00 N ATOM 1211 CA ILE A 82 93.584 -8.645 9.175 1.00 0.00 C ATOM 1212 C ILE A 82 94.435 -9.862 8.799 1.00 0.00 C ATOM 1213 O ILE A 82 95.644 -9.852 8.920 1.00 0.00 O ATOM 1214 CB ILE A 82 93.768 -7.511 8.164 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.579 -6.551 8.264 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.836 -8.082 6.745 1.00 0.00 C ATOM 1217 CD1 ILE A 82 92.883 -5.276 7.478 1.00 0.00 C ATOM 0 H ILE A 82 94.879 -7.501 10.426 1.00 0.00 H new ATOM 0 HA ILE A 82 92.551 -8.991 9.211 1.00 0.00 H new ATOM 0 HB ILE A 82 94.695 -6.981 8.383 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.680 -7.027 7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.381 -6.308 9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.967 -7.269 6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.678 -8.770 6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.911 -8.615 6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.036 -4.594 7.550 1.00 0.00 H new ATOM 0 HD12 ILE A 82 93.771 -4.797 7.891 1.00 0.00 H new ATOM 0 HD13 ILE A 82 93.059 -5.527 6.432 1.00 0.00 H new ATOM 1229 N THR A 83 93.805 -10.908 8.342 1.00 0.00 N ATOM 1230 CA THR A 83 94.559 -12.131 7.953 1.00 0.00 C ATOM 1231 C THR A 83 94.475 -12.337 6.436 1.00 0.00 C ATOM 1232 O THR A 83 93.403 -12.403 5.869 1.00 0.00 O ATOM 1233 CB THR A 83 93.859 -13.271 8.703 1.00 0.00 C ATOM 1234 OG1 THR A 83 94.372 -13.349 10.025 1.00 0.00 O ATOM 1235 CG2 THR A 83 94.097 -14.602 7.984 1.00 0.00 C ATOM 0 H THR A 83 92.794 -10.968 8.221 1.00 0.00 H new ATOM 0 HA THR A 83 95.619 -12.073 8.202 1.00 0.00 H new ATOM 0 HB THR A 83 92.788 -13.072 8.733 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.925 -14.076 10.507 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.595 -15.403 8.526 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.699 -14.545 6.971 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.167 -14.807 7.942 1.00 0.00 H new ATOM 1243 N CYS A 84 95.596 -12.441 5.778 1.00 0.00 N ATOM 1244 CA CYS A 84 95.576 -12.645 4.301 1.00 0.00 C ATOM 1245 C CYS A 84 96.060 -14.057 3.958 1.00 0.00 C ATOM 1246 O CYS A 84 97.138 -14.465 4.345 1.00 0.00 O ATOM 1247 CB CYS A 84 96.536 -11.594 3.743 1.00 0.00 C ATOM 1248 SG CYS A 84 95.635 -10.055 3.432 1.00 0.00 S ATOM 0 H CYS A 84 96.524 -12.394 6.198 1.00 0.00 H new ATOM 0 HA CYS A 84 94.575 -12.543 3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 84 97.347 -11.416 4.449 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.990 -11.955 2.820 1.00 0.00 H new ATOM 1253 N SER A 85 95.272 -14.808 3.235 1.00 0.00 N ATOM 1254 CA SER A 85 95.690 -16.193 2.871 1.00 0.00 C ATOM 1255 C SER A 85 97.145 -16.199 2.395 1.00 0.00 C ATOM 1256 O SER A 85 97.542 -15.394 1.577 1.00 0.00 O ATOM 1257 CB SER A 85 94.754 -16.603 1.733 1.00 0.00 C ATOM 1258 OG SER A 85 93.616 -15.752 1.729 1.00 0.00 O ATOM 0 H SER A 85 94.359 -14.523 2.881 1.00 0.00 H new ATOM 0 HA SER A 85 95.629 -16.878 3.717 1.00 0.00 H new ATOM 0 HB2 SER A 85 95.274 -16.537 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.445 -17.641 1.857 1.00 0.00 H new ATOM 0 HG SER A 85 93.834 -14.917 1.265 1.00 0.00 H new ATOM 1264 N SER A 86 97.943 -17.098 2.902 1.00 0.00 N ATOM 1265 CA SER A 86 99.371 -17.149 2.476 1.00 0.00 C ATOM 1266 C SER A 86 99.479 -17.691 1.049 1.00 0.00 C ATOM 1267 O SER A 86 100.389 -17.360 0.316 1.00 0.00 O ATOM 1268 CB SER A 86 100.049 -18.098 3.465 1.00 0.00 C ATOM 1269 OG SER A 86 99.310 -19.310 3.533 1.00 0.00 O ATOM 0 H SER A 86 97.669 -17.798 3.591 1.00 0.00 H new ATOM 0 HA SER A 86 99.836 -16.163 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.073 -18.300 3.150 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.104 -17.636 4.451 1.00 0.00 H new ATOM 0 HG SER A 86 99.742 -19.922 4.165 1.00 0.00 H new ATOM 1275 N GLU A 87 98.555 -18.520 0.647 1.00 0.00 N ATOM 1276 CA GLU A 87 98.605 -19.074 -0.735 1.00 0.00 C ATOM 1277 C GLU A 87 98.637 -17.932 -1.752 1.00 0.00 C ATOM 1278 O GLU A 87 99.069 -18.096 -2.875 1.00 0.00 O ATOM 1279 CB GLU A 87 97.318 -19.886 -0.885 1.00 0.00 C ATOM 1280 CG GLU A 87 97.569 -21.332 -0.449 1.00 0.00 C ATOM 1281 CD GLU A 87 96.231 -22.035 -0.219 1.00 0.00 C ATOM 1282 OE1 GLU A 87 95.338 -21.848 -1.029 1.00 0.00 O ATOM 1283 OE2 GLU A 87 96.121 -22.750 0.764 1.00 0.00 O ATOM 0 H GLU A 87 97.769 -18.837 1.215 1.00 0.00 H new ATOM 0 HA GLU A 87 99.492 -19.684 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.526 -19.445 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.979 -19.861 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 87 98.142 -21.859 -1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 87 98.163 -21.350 0.465 1.00 0.00 H new ATOM 1290 N ASN A 88 98.179 -16.775 -1.362 1.00 0.00 N ATOM 1291 CA ASN A 88 98.175 -15.618 -2.296 1.00 0.00 C ATOM 1292 C ASN A 88 99.539 -15.481 -2.976 1.00 0.00 C ATOM 1293 O ASN A 88 100.512 -15.090 -2.364 1.00 0.00 O ATOM 1294 CB ASN A 88 97.889 -14.403 -1.413 1.00 0.00 C ATOM 1295 CG ASN A 88 96.451 -14.475 -0.896 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.684 -15.318 -1.315 1.00 0.00 O ATOM 1297 ND2 ASN A 88 96.051 -13.619 0.004 1.00 0.00 N ATOM 0 H ASN A 88 97.806 -16.582 -0.432 1.00 0.00 H new ATOM 0 HA ASN A 88 97.437 -15.729 -3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.587 -14.376 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 88 98.037 -13.484 -1.981 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.094 -13.658 0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.695 -12.911 0.356 1.00 0.00 H new ATOM 1304 N ASN A 89 99.618 -15.801 -4.239 1.00 0.00 N ATOM 1305 CA ASN A 89 100.921 -15.689 -4.952 1.00 0.00 C ATOM 1306 C ASN A 89 101.423 -14.245 -4.910 1.00 0.00 C ATOM 1307 O ASN A 89 100.833 -13.389 -4.282 1.00 0.00 O ATOM 1308 CB ASN A 89 100.629 -16.112 -6.391 1.00 0.00 C ATOM 1309 CG ASN A 89 99.493 -15.256 -6.955 1.00 0.00 C ATOM 1310 OD1 ASN A 89 99.272 -14.149 -6.507 1.00 0.00 O ATOM 1311 ND2 ASN A 89 98.760 -15.723 -7.928 1.00 0.00 N ATOM 0 H ASN A 89 98.838 -16.134 -4.806 1.00 0.00 H new ATOM 0 HA ASN A 89 101.693 -16.309 -4.496 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.523 -15.997 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.354 -17.166 -6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.002 -15.158 -8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 89 98.945 -16.653 -8.305 1.00 0.00 H new ATOM 1318 N ALA A 90 102.509 -13.969 -5.574 1.00 0.00 N ATOM 1319 CA ALA A 90 103.055 -12.584 -5.575 1.00 0.00 C ATOM 1320 C ALA A 90 101.945 -11.572 -5.877 1.00 0.00 C ATOM 1321 O ALA A 90 101.935 -10.475 -5.352 1.00 0.00 O ATOM 1322 CB ALA A 90 104.106 -12.574 -6.684 1.00 0.00 C ATOM 0 H ALA A 90 103.044 -14.645 -6.118 1.00 0.00 H new ATOM 0 HA ALA A 90 103.478 -12.308 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.557 -11.584 -6.749 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.878 -13.310 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.634 -12.821 -7.635 1.00 0.00 H new ATOM 1328 N CYS A 91 101.015 -11.928 -6.721 1.00 0.00 N ATOM 1329 CA CYS A 91 99.911 -10.982 -7.058 1.00 0.00 C ATOM 1330 C CYS A 91 98.859 -10.966 -5.946 1.00 0.00 C ATOM 1331 O CYS A 91 98.530 -9.930 -5.403 1.00 0.00 O ATOM 1332 CB CYS A 91 99.312 -11.522 -8.357 1.00 0.00 C ATOM 1333 SG CYS A 91 98.420 -10.196 -9.209 1.00 0.00 S ATOM 0 H CYS A 91 100.971 -12.832 -7.192 1.00 0.00 H new ATOM 0 HA CYS A 91 100.267 -9.957 -7.166 1.00 0.00 H new ATOM 0 HB2 CYS A 91 100.101 -11.914 -8.998 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.636 -12.349 -8.142 1.00 0.00 H new ATOM 1338 N GLU A 92 98.326 -12.107 -5.601 1.00 0.00 N ATOM 1339 CA GLU A 92 97.297 -12.153 -4.524 1.00 0.00 C ATOM 1340 C GLU A 92 97.860 -11.544 -3.240 1.00 0.00 C ATOM 1341 O GLU A 92 97.147 -10.952 -2.455 1.00 0.00 O ATOM 1342 CB GLU A 92 96.994 -13.639 -4.325 1.00 0.00 C ATOM 1343 CG GLU A 92 96.017 -14.112 -5.404 1.00 0.00 C ATOM 1344 CD GLU A 92 95.152 -15.243 -4.847 1.00 0.00 C ATOM 1345 OE1 GLU A 92 95.635 -16.362 -4.795 1.00 0.00 O ATOM 1346 OE2 GLU A 92 94.019 -14.972 -4.484 1.00 0.00 O ATOM 0 H GLU A 92 98.559 -13.008 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 92 96.401 -11.588 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.916 -14.219 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.567 -13.804 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.387 -13.284 -5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.565 -14.457 -6.281 1.00 0.00 H new ATOM 1353 N ALA A 93 99.137 -11.690 -3.020 1.00 0.00 N ATOM 1354 CA ALA A 93 99.751 -11.123 -1.785 1.00 0.00 C ATOM 1355 C ALA A 93 99.882 -9.603 -1.911 1.00 0.00 C ATOM 1356 O ALA A 93 99.654 -8.871 -0.968 1.00 0.00 O ATOM 1357 CB ALA A 93 101.128 -11.779 -1.691 1.00 0.00 C ATOM 0 H ALA A 93 99.783 -12.177 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 93 99.149 -11.315 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.646 -11.413 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 93 101.012 -12.861 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.710 -11.532 -2.579 1.00 0.00 H new ATOM 1363 N PHE A 94 100.243 -9.118 -3.069 1.00 0.00 N ATOM 1364 CA PHE A 94 100.380 -7.643 -3.248 1.00 0.00 C ATOM 1365 C PHE A 94 99.013 -6.972 -3.104 1.00 0.00 C ATOM 1366 O PHE A 94 98.886 -5.917 -2.512 1.00 0.00 O ATOM 1367 CB PHE A 94 100.921 -7.460 -4.667 1.00 0.00 C ATOM 1368 CG PHE A 94 101.472 -6.060 -4.818 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.598 -4.969 -4.906 1.00 0.00 C ATOM 1370 CD2 PHE A 94 102.855 -5.855 -4.871 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.108 -3.673 -5.048 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.365 -4.558 -5.012 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.492 -3.468 -5.100 1.00 0.00 C ATOM 0 H PHE A 94 100.448 -9.678 -3.897 1.00 0.00 H new ATOM 0 HA PHE A 94 101.039 -7.195 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.702 -8.194 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.128 -7.631 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.531 -5.128 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.529 -6.696 -4.803 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.434 -2.832 -5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.432 -4.399 -5.053 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.886 -2.468 -5.208 1.00 0.00 H new ATOM 1383 N ILE A 95 97.988 -7.575 -3.640 1.00 0.00 N ATOM 1384 CA ILE A 95 96.628 -6.974 -3.533 1.00 0.00 C ATOM 1385 C ILE A 95 96.172 -6.962 -2.072 1.00 0.00 C ATOM 1386 O ILE A 95 95.664 -5.976 -1.578 1.00 0.00 O ATOM 1387 CB ILE A 95 95.727 -7.880 -4.372 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.281 -7.969 -5.797 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.313 -7.300 -4.412 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.768 -9.246 -6.467 1.00 0.00 C ATOM 0 H ILE A 95 98.033 -8.458 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 95 96.602 -5.942 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 95 95.698 -8.875 -3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 95 95.974 -7.096 -6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 95 97.371 -7.970 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.671 -7.947 -5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 95 93.918 -7.234 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.340 -6.305 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.163 -9.309 -7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 95 96.097 -10.114 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 95 94.679 -9.226 -6.502 1.00 0.00 H new ATOM 1402 N CYS A 96 96.356 -8.050 -1.374 1.00 0.00 N ATOM 1403 CA CYS A 96 95.940 -8.096 0.057 1.00 0.00 C ATOM 1404 C CYS A 96 96.663 -7.000 0.842 1.00 0.00 C ATOM 1405 O CYS A 96 96.148 -6.469 1.808 1.00 0.00 O ATOM 1406 CB CYS A 96 96.365 -9.479 0.552 1.00 0.00 C ATOM 1407 SG CYS A 96 95.022 -10.219 1.514 1.00 0.00 S ATOM 0 H CYS A 96 96.776 -8.908 -1.732 1.00 0.00 H new ATOM 0 HA CYS A 96 94.870 -7.933 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 96 96.615 -10.119 -0.295 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.263 -9.397 1.165 1.00 0.00 H new ATOM 1412 N ASN A 97 97.854 -6.655 0.435 1.00 0.00 N ATOM 1413 CA ASN A 97 98.609 -5.594 1.156 1.00 0.00 C ATOM 1414 C ASN A 97 97.978 -4.227 0.887 1.00 0.00 C ATOM 1415 O ASN A 97 97.968 -3.360 1.737 1.00 0.00 O ATOM 1416 CB ASN A 97 100.028 -5.655 0.588 1.00 0.00 C ATOM 1417 CG ASN A 97 100.837 -6.702 1.345 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.338 -7.339 2.252 1.00 0.00 O ATOM 1419 ND2 ASN A 97 102.076 -6.909 1.006 1.00 0.00 N ATOM 0 H ASN A 97 98.336 -7.063 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 97 98.601 -5.742 2.236 1.00 0.00 H new ATOM 0 HB2 ASN A 97 99.996 -5.903 -0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.507 -4.679 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.631 -7.607 1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.493 -6.373 0.245 1.00 0.00 H new ATOM 1426 N CYS A 98 97.447 -4.029 -0.290 1.00 0.00 N ATOM 1427 CA CYS A 98 96.811 -2.718 -0.607 1.00 0.00 C ATOM 1428 C CYS A 98 95.540 -2.540 0.225 1.00 0.00 C ATOM 1429 O CYS A 98 95.331 -1.518 0.848 1.00 0.00 O ATOM 1430 CB CYS A 98 96.471 -2.793 -2.096 1.00 0.00 C ATOM 1431 SG CYS A 98 97.916 -3.368 -3.021 1.00 0.00 S ATOM 0 H CYS A 98 97.426 -4.716 -1.043 1.00 0.00 H new ATOM 0 HA CYS A 98 97.463 -1.874 -0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.632 -3.471 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.161 -1.813 -2.458 1.00 0.00 H new ATOM 1436 N ASP A 99 94.689 -3.531 0.241 1.00 0.00 N ATOM 1437 CA ASP A 99 93.433 -3.423 1.035 1.00 0.00 C ATOM 1438 C ASP A 99 93.762 -3.368 2.530 1.00 0.00 C ATOM 1439 O ASP A 99 93.145 -2.643 3.285 1.00 0.00 O ATOM 1440 CB ASP A 99 92.647 -4.693 0.707 1.00 0.00 C ATOM 1441 CG ASP A 99 92.257 -4.688 -0.772 1.00 0.00 C ATOM 1442 OD1 ASP A 99 93.030 -4.178 -1.566 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.192 -5.195 -1.085 1.00 0.00 O ATOM 0 H ASP A 99 94.810 -4.410 -0.262 1.00 0.00 H new ATOM 0 HA ASP A 99 92.868 -2.522 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.249 -5.573 0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 99 91.754 -4.751 1.329 1.00 0.00 H new ATOM 1448 N ARG A 100 94.730 -4.131 2.960 1.00 0.00 N ATOM 1449 CA ARG A 100 95.100 -4.127 4.404 1.00 0.00 C ATOM 1450 C ARG A 100 95.813 -2.822 4.771 1.00 0.00 C ATOM 1451 O ARG A 100 95.485 -2.180 5.748 1.00 0.00 O ATOM 1452 CB ARG A 100 96.044 -5.317 4.572 1.00 0.00 C ATOM 1453 CG ARG A 100 96.200 -5.637 6.061 1.00 0.00 C ATOM 1454 CD ARG A 100 97.636 -6.088 6.340 1.00 0.00 C ATOM 1455 NE ARG A 100 97.499 -7.396 7.020 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.548 -7.987 7.526 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.547 -8.319 6.754 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.597 -8.245 8.804 1.00 0.00 N ATOM 0 H ARG A 100 95.281 -4.757 2.373 1.00 0.00 H new ATOM 0 HA ARG A 100 94.226 -4.201 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.651 -6.184 4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.016 -5.089 4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 100 95.961 -4.758 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.499 -6.420 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 100 98.207 -6.181 5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 100 98.161 -5.369 6.969 1.00 0.00 H new ATOM 0 HE ARG A 100 96.582 -7.837 7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 100 99.509 -8.117 5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 100 100.366 -8.781 7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 100 97.816 -7.985 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.416 -8.707 9.200 1.00 0.00 H new ATOM 1472 N ASN A 101 96.787 -2.426 3.997 1.00 0.00 N ATOM 1473 CA ASN A 101 97.516 -1.163 4.311 1.00 0.00 C ATOM 1474 C ASN A 101 96.523 -0.004 4.411 1.00 0.00 C ATOM 1475 O ASN A 101 96.747 0.962 5.114 1.00 0.00 O ATOM 1476 CB ASN A 101 98.475 -0.950 3.139 1.00 0.00 C ATOM 1477 CG ASN A 101 99.782 -1.689 3.408 1.00 0.00 C ATOM 1478 OD1 ASN A 101 99.930 -2.341 4.422 1.00 0.00 O ATOM 1479 ND2 ASN A 101 100.742 -1.612 2.533 1.00 0.00 N ATOM 0 H ASN A 101 97.109 -2.920 3.164 1.00 0.00 H new ATOM 0 HA ASN A 101 98.048 -1.215 5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.023 -1.313 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 101 98.668 0.114 3.003 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.622 -2.100 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 101 100.614 -1.064 1.683 1.00 0.00 H new ATOM 1486 N ALA A 102 95.424 -0.097 3.714 1.00 0.00 N ATOM 1487 CA ALA A 102 94.412 0.996 3.771 1.00 0.00 C ATOM 1488 C ALA A 102 93.615 0.900 5.073 1.00 0.00 C ATOM 1489 O ALA A 102 93.478 1.862 5.802 1.00 0.00 O ATOM 1490 CB ALA A 102 93.503 0.758 2.565 1.00 0.00 C ATOM 0 H ALA A 102 95.183 -0.881 3.108 1.00 0.00 H new ATOM 0 HA ALA A 102 94.866 1.986 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 102 92.728 1.524 2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.093 0.804 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.038 -0.225 2.648 1.00 0.00 H new ATOM 1496 N ALA A 103 93.092 -0.258 5.375 1.00 0.00 N ATOM 1497 CA ALA A 103 92.311 -0.417 6.634 1.00 0.00 C ATOM 1498 C ALA A 103 93.203 -0.103 7.835 1.00 0.00 C ATOM 1499 O ALA A 103 92.790 0.545 8.776 1.00 0.00 O ATOM 1500 CB ALA A 103 91.882 -1.885 6.651 1.00 0.00 C ATOM 0 H ALA A 103 93.172 -1.100 4.804 1.00 0.00 H new ATOM 0 HA ALA A 103 91.454 0.254 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.300 -2.083 7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.274 -2.097 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.766 -2.523 6.643 1.00 0.00 H new ATOM 1506 N ILE A 104 94.426 -0.552 7.805 1.00 0.00 N ATOM 1507 CA ILE A 104 95.349 -0.274 8.941 1.00 0.00 C ATOM 1508 C ILE A 104 95.601 1.231 9.044 1.00 0.00 C ATOM 1509 O ILE A 104 95.727 1.777 10.121 1.00 0.00 O ATOM 1510 CB ILE A 104 96.639 -1.015 8.593 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.384 -2.523 8.646 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.729 -0.645 9.601 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.656 -3.271 8.242 1.00 0.00 C ATOM 0 H ILE A 104 94.827 -1.099 7.043 1.00 0.00 H new ATOM 0 HA ILE A 104 94.944 -0.599 9.900 1.00 0.00 H new ATOM 0 HB ILE A 104 96.964 -0.734 7.591 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.081 -2.816 9.651 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.566 -2.788 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.649 -1.174 9.352 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.907 0.430 9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.408 -0.927 10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.474 -4.345 8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.939 -2.986 7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.462 -3.015 8.929 1.00 0.00 H new ATOM 1525 N CYS A 105 95.669 1.906 7.929 1.00 0.00 N ATOM 1526 CA CYS A 105 95.906 3.376 7.963 1.00 0.00 C ATOM 1527 C CYS A 105 94.710 4.073 8.618 1.00 0.00 C ATOM 1528 O CYS A 105 94.866 4.934 9.461 1.00 0.00 O ATOM 1529 CB CYS A 105 96.042 3.789 6.498 1.00 0.00 C ATOM 1530 SG CYS A 105 96.913 5.372 6.395 1.00 0.00 S ATOM 0 H CYS A 105 95.571 1.503 6.997 1.00 0.00 H new ATOM 0 HA CYS A 105 96.791 3.648 8.539 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.587 3.025 5.943 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.056 3.874 6.040 1.00 0.00 H new ATOM 1535 N PHE A 106 93.514 3.699 8.244 1.00 0.00 N ATOM 1536 CA PHE A 106 92.313 4.327 8.852 1.00 0.00 C ATOM 1537 C PHE A 106 92.413 4.244 10.375 1.00 0.00 C ATOM 1538 O PHE A 106 92.004 5.138 11.088 1.00 0.00 O ATOM 1539 CB PHE A 106 91.128 3.498 8.348 1.00 0.00 C ATOM 1540 CG PHE A 106 90.889 3.761 6.876 1.00 0.00 C ATOM 1541 CD1 PHE A 106 91.759 4.585 6.147 1.00 0.00 C ATOM 1542 CD2 PHE A 106 89.788 3.176 6.238 1.00 0.00 C ATOM 1543 CE1 PHE A 106 91.528 4.820 4.787 1.00 0.00 C ATOM 1544 CE2 PHE A 106 89.557 3.413 4.878 1.00 0.00 C ATOM 1545 CZ PHE A 106 90.427 4.235 4.153 1.00 0.00 C ATOM 0 H PHE A 106 93.321 2.984 7.542 1.00 0.00 H new ATOM 0 HA PHE A 106 92.210 5.379 8.586 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.324 2.438 8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.233 3.746 8.919 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.608 5.039 6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 106 89.116 2.541 6.796 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.200 5.453 4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 106 88.707 2.961 4.388 1.00 0.00 H new ATOM 0 HZ PHE A 106 90.248 4.418 3.104 1.00 0.00 H new ATOM 1555 N SER A 107 92.962 3.171 10.873 1.00 0.00 N ATOM 1556 CA SER A 107 93.103 3.016 12.350 1.00 0.00 C ATOM 1557 C SER A 107 94.411 3.656 12.816 1.00 0.00 C ATOM 1558 O SER A 107 94.621 3.884 13.992 1.00 0.00 O ATOM 1559 CB SER A 107 93.126 1.508 12.593 1.00 0.00 C ATOM 1560 OG SER A 107 94.307 0.957 12.024 1.00 0.00 O ATOM 0 H SER A 107 93.320 2.392 10.320 1.00 0.00 H new ATOM 0 HA SER A 107 92.295 3.500 12.898 1.00 0.00 H new ATOM 0 HB2 SER A 107 93.093 1.300 13.662 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.245 1.044 12.151 1.00 0.00 H new ATOM 0 HG SER A 107 94.693 1.596 11.388 1.00 0.00 H new ATOM 1566 N LYS A 108 95.292 3.954 11.900 1.00 0.00 N ATOM 1567 CA LYS A 108 96.586 4.586 12.283 1.00 0.00 C ATOM 1568 C LYS A 108 96.502 6.098 12.068 1.00 0.00 C ATOM 1569 O LYS A 108 97.260 6.861 12.632 1.00 0.00 O ATOM 1570 CB LYS A 108 97.622 3.964 11.347 1.00 0.00 C ATOM 1571 CG LYS A 108 97.945 2.543 11.812 1.00 0.00 C ATOM 1572 CD LYS A 108 99.452 2.408 12.039 1.00 0.00 C ATOM 1573 CE LYS A 108 100.176 2.434 10.692 1.00 0.00 C ATOM 1574 NZ LYS A 108 101.142 3.560 10.798 1.00 0.00 N ATOM 0 H LYS A 108 95.171 3.787 10.901 1.00 0.00 H new ATOM 0 HA LYS A 108 96.841 4.423 13.330 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.240 3.946 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.528 4.569 11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.407 2.320 12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 108 97.613 1.821 11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.809 3.221 12.671 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.670 1.477 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 108 100.688 1.491 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 108 99.477 2.590 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 101.802 3.528 9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 100.626 4.463 10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 101.675 3.477 11.687 1.00 0.00 H new ATOM 1588 N VAL A 109 95.578 6.531 11.255 1.00 0.00 N ATOM 1589 CA VAL A 109 95.431 7.991 10.997 1.00 0.00 C ATOM 1590 C VAL A 109 94.089 8.486 11.543 1.00 0.00 C ATOM 1591 O VAL A 109 93.138 7.734 11.629 1.00 0.00 O ATOM 1592 CB VAL A 109 95.475 8.127 9.476 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.656 7.325 8.927 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.172 7.589 8.879 1.00 0.00 C ATOM 0 H VAL A 109 94.917 5.935 10.757 1.00 0.00 H new ATOM 0 HA VAL A 109 96.209 8.581 11.481 1.00 0.00 H new ATOM 0 HB VAL A 109 95.592 9.177 9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.688 7.421 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.584 7.706 9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.539 6.275 9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.202 7.685 7.794 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.055 6.539 9.147 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.330 8.159 9.271 1.00 0.00 H new ATOM 1604 N PRO A 110 94.060 9.740 11.900 1.00 0.00 N ATOM 1605 CA PRO A 110 92.825 10.346 12.451 1.00 0.00 C ATOM 1606 C PRO A 110 91.798 10.584 11.339 1.00 0.00 C ATOM 1607 O PRO A 110 92.098 10.465 10.168 1.00 0.00 O ATOM 1608 CB PRO A 110 93.306 11.669 13.037 1.00 0.00 C ATOM 1609 CG PRO A 110 94.551 12.003 12.277 1.00 0.00 C ATOM 1610 CD PRO A 110 95.164 10.701 11.826 1.00 0.00 C ATOM 0 HA PRO A 110 92.331 9.712 13.187 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.553 12.448 12.921 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.508 11.577 14.104 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.320 12.636 11.420 1.00 0.00 H new ATOM 0 HG3 PRO A 110 95.247 12.558 12.905 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.559 10.777 10.813 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.992 10.406 12.470 1.00 0.00 H new ATOM 1618 N TYR A 111 90.590 10.923 11.699 1.00 0.00 N ATOM 1619 CA TYR A 111 89.544 11.172 10.665 1.00 0.00 C ATOM 1620 C TYR A 111 88.917 12.553 10.876 1.00 0.00 C ATOM 1621 O TYR A 111 88.543 12.914 11.975 1.00 0.00 O ATOM 1622 CB TYR A 111 88.504 10.071 10.878 1.00 0.00 C ATOM 1623 CG TYR A 111 87.228 10.435 10.154 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.257 10.708 8.780 1.00 0.00 C ATOM 1625 CD2 TYR A 111 86.019 10.500 10.856 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.075 11.047 8.110 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.837 10.839 10.185 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.865 11.112 8.812 1.00 0.00 C ATOM 1629 OH TYR A 111 83.700 11.446 8.151 1.00 0.00 O ATOM 0 H TYR A 111 90.282 11.038 12.664 1.00 0.00 H new ATOM 0 HA TYR A 111 89.949 11.156 9.653 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.886 9.119 10.508 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.307 9.943 11.942 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.190 10.657 8.238 1.00 0.00 H new ATOM 0 HD2 TYR A 111 85.997 10.289 11.915 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.097 11.258 7.051 1.00 0.00 H new ATOM 0 HE2 TYR A 111 83.904 10.890 10.727 1.00 0.00 H new ATOM 0 HH TYR A 111 83.372 10.668 7.653 1.00 0.00 H new ATOM 1639 N ASN A 112 88.800 13.329 9.833 1.00 0.00 N ATOM 1640 CA ASN A 112 88.197 14.686 9.979 1.00 0.00 C ATOM 1641 C ASN A 112 86.833 14.740 9.284 1.00 0.00 C ATOM 1642 O ASN A 112 86.744 14.834 8.076 1.00 0.00 O ATOM 1643 CB ASN A 112 89.185 15.635 9.297 1.00 0.00 C ATOM 1644 CG ASN A 112 90.331 15.954 10.259 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.252 16.892 11.028 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.401 15.208 10.248 1.00 0.00 N ATOM 0 H ASN A 112 89.095 13.083 8.888 1.00 0.00 H new ATOM 0 HA ASN A 112 88.030 14.952 11.023 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.576 15.179 8.387 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.678 16.553 9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 112 92.171 15.412 10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.467 14.421 9.603 1.00 0.00 H new ATOM 1653 N LYS A 113 85.770 14.684 10.039 1.00 0.00 N ATOM 1654 CA LYS A 113 84.413 14.733 9.423 1.00 0.00 C ATOM 1655 C LYS A 113 84.285 15.967 8.527 1.00 0.00 C ATOM 1656 O LYS A 113 83.548 15.971 7.560 1.00 0.00 O ATOM 1657 CB LYS A 113 83.447 14.824 10.604 1.00 0.00 C ATOM 1658 CG LYS A 113 82.311 13.820 10.413 1.00 0.00 C ATOM 1659 CD LYS A 113 81.152 14.174 11.348 1.00 0.00 C ATOM 1660 CE LYS A 113 80.177 12.998 11.421 1.00 0.00 C ATOM 1661 NZ LYS A 113 78.929 13.570 11.999 1.00 0.00 N ATOM 0 H LYS A 113 85.782 14.606 11.056 1.00 0.00 H new ATOM 0 HA LYS A 113 84.210 13.864 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 113 83.975 14.619 11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.045 15.834 10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 113 81.972 13.831 9.377 1.00 0.00 H new ATOM 0 HG3 LYS A 113 82.665 12.810 10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 113 81.532 14.407 12.343 1.00 0.00 H new ATOM 0 HD3 LYS A 113 80.638 15.064 10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 113 79.996 12.573 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 113 80.571 12.197 12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 78.210 12.823 12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 79.130 13.961 12.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 78.574 14.326 11.379 1.00 0.00 H new ATOM 1675 N GLU A 114 84.993 17.015 8.841 1.00 0.00 N ATOM 1676 CA GLU A 114 84.909 18.242 8.009 1.00 0.00 C ATOM 1677 C GLU A 114 85.377 17.937 6.586 1.00 0.00 C ATOM 1678 O GLU A 114 84.875 18.485 5.624 1.00 0.00 O ATOM 1679 CB GLU A 114 85.844 19.246 8.683 1.00 0.00 C ATOM 1680 CG GLU A 114 85.053 20.492 9.082 1.00 0.00 C ATOM 1681 CD GLU A 114 86.021 21.636 9.389 1.00 0.00 C ATOM 1682 OE1 GLU A 114 87.129 21.350 9.812 1.00 0.00 O ATOM 1683 OE2 GLU A 114 85.637 22.778 9.198 1.00 0.00 O ATOM 0 H GLU A 114 85.626 17.073 9.639 1.00 0.00 H new ATOM 0 HA GLU A 114 83.892 18.627 7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 114 86.303 18.797 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 114 86.653 19.518 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 114 84.377 20.780 8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 114 84.436 20.280 9.955 1.00 0.00 H new ATOM 1690 N HIS A 115 86.335 17.065 6.448 1.00 0.00 N ATOM 1691 CA HIS A 115 86.837 16.717 5.091 1.00 0.00 C ATOM 1692 C HIS A 115 85.928 15.665 4.449 1.00 0.00 C ATOM 1693 O HIS A 115 86.176 15.202 3.354 1.00 0.00 O ATOM 1694 CB HIS A 115 88.236 16.146 5.326 1.00 0.00 C ATOM 1695 CG HIS A 115 89.249 17.258 5.271 1.00 0.00 C ATOM 1696 ND1 HIS A 115 89.608 17.872 4.082 1.00 0.00 N ATOM 1697 CD2 HIS A 115 89.989 17.876 6.250 1.00 0.00 C ATOM 1698 CE1 HIS A 115 90.526 18.812 4.371 1.00 0.00 C ATOM 1699 NE2 HIS A 115 90.794 18.857 5.679 1.00 0.00 N ATOM 0 H HIS A 115 86.793 16.577 7.218 1.00 0.00 H new ATOM 0 HA HIS A 115 86.854 17.576 4.420 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.279 15.648 6.295 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.465 15.394 4.571 1.00 0.00 H new ATOM 0 HD2 HIS A 115 89.952 17.637 7.303 1.00 0.00 H new ATOM 0 HE1 HIS A 115 90.990 19.452 3.635 1.00 0.00 H new ATOM 0 HE2 HIS A 115 91.448 19.477 6.156 1.00 0.00 H new ATOM 1707 N LYS A 116 84.878 15.284 5.125 1.00 0.00 N ATOM 1708 CA LYS A 116 83.958 14.265 4.561 1.00 0.00 C ATOM 1709 C LYS A 116 83.258 14.808 3.313 1.00 0.00 C ATOM 1710 O LYS A 116 82.767 15.919 3.296 1.00 0.00 O ATOM 1711 CB LYS A 116 82.951 14.016 5.678 1.00 0.00 C ATOM 1712 CG LYS A 116 82.378 12.612 5.538 1.00 0.00 C ATOM 1713 CD LYS A 116 81.358 12.363 6.651 1.00 0.00 C ATOM 1714 CE LYS A 116 80.128 13.245 6.425 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.192 12.405 5.626 1.00 0.00 N ATOM 0 H LYS A 116 84.620 15.638 6.046 1.00 0.00 H new ATOM 0 HA LYS A 116 84.474 13.356 4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.433 14.129 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.150 14.754 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 116 81.904 12.497 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.178 11.874 5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 116 81.068 11.312 6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 116 81.803 12.583 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 116 79.679 13.545 7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 116 80.390 14.159 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 78.323 12.943 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 79.644 12.140 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 78.954 11.545 6.161 1.00 0.00 H new ATOM 1729 N ASN A 117 83.206 14.029 2.268 1.00 0.00 N ATOM 1730 CA ASN A 117 82.536 14.495 1.021 1.00 0.00 C ATOM 1731 C ASN A 117 83.026 15.894 0.643 1.00 0.00 C ATOM 1732 O ASN A 117 82.247 16.808 0.465 1.00 0.00 O ATOM 1733 CB ASN A 117 81.045 14.523 1.357 1.00 0.00 C ATOM 1734 CG ASN A 117 80.483 13.101 1.308 1.00 0.00 C ATOM 1735 OD1 ASN A 117 81.003 12.181 2.072 1.00 0.00 O flip ATOM 1736 ND2 ASN A 117 79.560 12.825 0.567 1.00 0.00 N flip ATOM 0 H ASN A 117 83.599 13.089 2.224 1.00 0.00 H new ATOM 0 HA ASN A 117 82.751 13.845 0.173 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.893 14.951 2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.514 15.160 0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.153 13.544 -0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 117 79.192 11.874 0.543 1.00 0.00 H new ATOM 1743 N LEU A 118 84.314 16.066 0.518 1.00 0.00 N ATOM 1744 CA LEU A 118 84.862 17.375 0.156 1.00 0.00 C ATOM 1745 C LEU A 118 84.781 17.549 -1.363 1.00 0.00 C ATOM 1746 O LEU A 118 84.427 16.638 -2.085 1.00 0.00 O ATOM 1747 CB LEU A 118 86.299 17.283 0.662 1.00 0.00 C ATOM 1748 CG LEU A 118 87.205 18.241 -0.086 1.00 0.00 C ATOM 1749 CD1 LEU A 118 86.937 19.679 0.369 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.665 17.886 0.205 1.00 0.00 C ATOM 0 H LEU A 118 85.010 15.333 0.657 1.00 0.00 H new ATOM 0 HA LEU A 118 84.337 18.232 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.327 17.509 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.665 16.263 0.542 1.00 0.00 H new ATOM 0 HG LEU A 118 87.007 18.159 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.592 20.360 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 118 85.898 19.937 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.130 19.764 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.320 18.573 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 118 88.853 17.967 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.863 16.865 -0.122 1.00 0.00 H new ATOM 1762 N ASP A 119 85.095 18.708 -1.850 1.00 0.00 N ATOM 1763 CA ASP A 119 85.026 18.948 -3.321 1.00 0.00 C ATOM 1764 C ASP A 119 86.394 18.734 -3.973 1.00 0.00 C ATOM 1765 O ASP A 119 87.403 19.221 -3.502 1.00 0.00 O ATOM 1766 CB ASP A 119 84.589 20.406 -3.463 1.00 0.00 C ATOM 1767 CG ASP A 119 84.254 20.696 -4.927 1.00 0.00 C ATOM 1768 OD1 ASP A 119 84.736 19.969 -5.779 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.523 21.642 -5.170 1.00 0.00 O ATOM 0 H ASP A 119 85.399 19.508 -1.295 1.00 0.00 H new ATOM 0 HA ASP A 119 84.337 18.261 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 119 83.720 20.599 -2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.383 21.070 -3.122 1.00 0.00 H new ATOM 1774 N LYS A 120 86.433 18.009 -5.060 1.00 0.00 N ATOM 1775 CA LYS A 120 87.724 17.762 -5.754 1.00 0.00 C ATOM 1776 C LYS A 120 88.322 19.083 -6.248 1.00 0.00 C ATOM 1777 O LYS A 120 89.462 19.144 -6.665 1.00 0.00 O ATOM 1778 CB LYS A 120 87.370 16.860 -6.937 1.00 0.00 C ATOM 1779 CG LYS A 120 86.950 15.482 -6.421 1.00 0.00 C ATOM 1780 CD LYS A 120 85.900 14.885 -7.361 1.00 0.00 C ATOM 1781 CE LYS A 120 86.582 14.384 -8.635 1.00 0.00 C ATOM 1782 NZ LYS A 120 87.349 13.179 -8.212 1.00 0.00 N ATOM 0 H LYS A 120 85.619 17.576 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 120 88.464 17.304 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 120 86.562 17.304 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 120 88.227 16.765 -7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 120 87.817 14.824 -6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 120 86.545 15.567 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 120 85.379 14.064 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 120 85.149 15.636 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 120 85.850 14.136 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 120 87.241 15.144 -9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 88.365 13.346 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 87.170 12.989 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 87.048 12.360 -8.778 1.00 0.00 H new ATOM 1796 N LYS A 121 87.557 20.140 -6.206 1.00 0.00 N ATOM 1797 CA LYS A 121 88.072 21.460 -6.674 1.00 0.00 C ATOM 1798 C LYS A 121 89.251 21.909 -5.824 1.00 0.00 C ATOM 1799 O LYS A 121 89.979 22.819 -6.170 1.00 0.00 O ATOM 1800 CB LYS A 121 86.903 22.414 -6.490 1.00 0.00 C ATOM 1801 CG LYS A 121 86.258 22.680 -7.842 1.00 0.00 C ATOM 1802 CD LYS A 121 86.123 24.188 -8.053 1.00 0.00 C ATOM 1803 CE LYS A 121 85.794 24.469 -9.521 1.00 0.00 C ATOM 1804 NZ LYS A 121 84.312 24.615 -9.560 1.00 0.00 N ATOM 0 H LYS A 121 86.595 20.147 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 121 88.424 21.420 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 121 86.173 21.986 -5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.247 23.349 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 121 86.862 22.243 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 121 85.278 22.206 -7.889 1.00 0.00 H new ATOM 0 HD2 LYS A 121 85.338 24.587 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 121 87.050 24.690 -7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 121 86.290 25.375 -9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 121 86.128 23.654 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 84.008 24.810 -10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 83.868 23.735 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 84.024 25.402 -8.944 1.00 0.00 H new ATOM 1818 N ASN A 122 89.458 21.255 -4.732 1.00 0.00 N ATOM 1819 CA ASN A 122 90.604 21.596 -3.854 1.00 0.00 C ATOM 1820 C ASN A 122 91.761 20.677 -4.212 1.00 0.00 C ATOM 1821 O ASN A 122 92.884 20.850 -3.783 1.00 0.00 O ATOM 1822 CB ASN A 122 90.114 21.300 -2.442 1.00 0.00 C ATOM 1823 CG ASN A 122 89.486 22.557 -1.836 1.00 0.00 C ATOM 1824 OD1 ASN A 122 90.151 23.558 -1.657 1.00 0.00 O ATOM 1825 ND2 ASN A 122 88.222 22.545 -1.509 1.00 0.00 N ATOM 0 H ASN A 122 88.876 20.486 -4.400 1.00 0.00 H new ATOM 0 HA ASN A 122 90.938 22.629 -3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 122 89.383 20.491 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.945 20.963 -1.822 1.00 0.00 H new ATOM 0 HD21 ASN A 122 87.792 23.376 -1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 122 87.664 21.704 -1.660 1.00 0.00 H new ATOM 1832 N CYS A 123 91.464 19.688 -4.997 1.00 0.00 N ATOM 1833 CA CYS A 123 92.490 18.707 -5.416 1.00 0.00 C ATOM 1834 C CYS A 123 92.975 19.011 -6.836 1.00 0.00 C ATOM 1835 O CYS A 123 93.375 20.138 -7.076 1.00 0.00 O ATOM 1836 CB CYS A 123 91.744 17.379 -5.365 1.00 0.00 C ATOM 1837 SG CYS A 123 91.959 16.623 -3.736 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.938 18.111 -7.659 1.00 0.00 O ATOM 0 H CYS A 123 90.532 19.515 -5.374 1.00 0.00 H new ATOM 0 HA CYS A 123 93.381 18.717 -4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 123 90.685 17.538 -5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 123 92.119 16.710 -6.140 1.00 0.00 H new TER 1843 CYS A 123