USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 478 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 43 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 45 ASN : amide:sc= -0.0268 X(o=-0.027,f=0) USER MOD Set 2.1: A 21 MET CE :methyl 168:sc= -0.589 (180deg=-0.891) USER MOD Set 2.2: A 25 MET CE :methyl -132:sc= -8.73! (180deg=-12.1!) USER MOD Single : A 16 GLN : amide:sc= -2.22! C(o=-2.2!,f=-3!) USER MOD Single : A 18 GLN : amide:sc= -0.0099 X(o=-0.0099,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.06! C(o=-3.1!,f=-5.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -119:sc= -3.14! USER MOD Single : A 33 CYS SG : rot 180:sc= -2.11 USER MOD Single : A 36 HIS : no HD1:sc= -8.5! C(o=-8.5!,f=-6.4!) USER MOD Single : A 37 ASN : amide:sc= -0.114 K(o=-0.11,f=-2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -101:sc= 0.84 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= -0.39 (180deg=-1.66!) USER MOD Single : A 55 THR OG1 : rot 81:sc= 0.491 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.0132 USER MOD Single : A 59 GLN : amide:sc= -6.42! C(o=-6.4!,f=-12!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 90:sc= -3.79! USER MOD Single : A 83 SER OG : rot 86:sc= 1.09 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 2.277 -4.338 -5.528 1.00 0.00 N ATOM 31 CA GLN A 16 3.550 -5.002 -5.749 1.00 0.00 C ATOM 32 C GLN A 16 3.990 -4.836 -7.205 1.00 0.00 C ATOM 33 O GLN A 16 5.107 -4.396 -7.474 1.00 0.00 O ATOM 34 CB GLN A 16 3.471 -6.481 -5.366 1.00 0.00 C ATOM 35 CG GLN A 16 4.864 -7.113 -5.328 1.00 0.00 C ATOM 36 CD GLN A 16 5.415 -7.310 -6.742 1.00 0.00 C ATOM 37 OE1 GLN A 16 4.715 -7.706 -7.659 1.00 0.00 O ATOM 38 NE2 GLN A 16 6.706 -7.013 -6.865 1.00 0.00 N ATOM 0 HA GLN A 16 4.297 -4.534 -5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.995 -6.583 -4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.846 -7.013 -6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.540 -6.478 -4.756 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.818 -8.073 -4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.234 -6.686 -6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.168 -7.112 -7.769 1.00 0.00 H new ATOM 47 N GLU A 17 3.088 -5.196 -8.107 1.00 0.00 N ATOM 48 CA GLU A 17 3.369 -5.091 -9.529 1.00 0.00 C ATOM 49 C GLU A 17 3.873 -3.687 -9.869 1.00 0.00 C ATOM 50 O GLU A 17 4.702 -3.521 -10.762 1.00 0.00 O ATOM 51 CB GLU A 17 2.134 -5.447 -10.359 1.00 0.00 C ATOM 52 CG GLU A 17 0.935 -4.588 -9.954 1.00 0.00 C ATOM 53 CD GLU A 17 0.077 -5.304 -8.909 1.00 0.00 C ATOM 54 OE1 GLU A 17 -0.453 -6.392 -9.180 1.00 0.00 O ATOM 55 OE2 GLU A 17 -0.030 -4.691 -7.779 1.00 0.00 O ATOM 0 H GLU A 17 2.163 -5.560 -7.881 1.00 0.00 H new ATOM 0 HA GLU A 17 4.153 -5.806 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.349 -5.302 -11.418 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.893 -6.501 -10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.284 -3.636 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.331 -4.362 -10.833 1.00 0.00 H new ATOM 63 N GLN A 18 3.350 -2.713 -9.139 1.00 0.00 N ATOM 64 CA GLN A 18 3.736 -1.328 -9.352 1.00 0.00 C ATOM 65 C GLN A 18 5.190 -1.111 -8.927 1.00 0.00 C ATOM 66 O GLN A 18 5.891 -0.279 -9.502 1.00 0.00 O ATOM 67 CB GLN A 18 2.800 -0.377 -8.605 1.00 0.00 C ATOM 68 CG GLN A 18 2.852 1.029 -9.207 1.00 0.00 C ATOM 69 CD GLN A 18 1.674 1.877 -8.724 1.00 0.00 C ATOM 70 OE1 GLN A 18 1.536 2.184 -7.552 1.00 0.00 O ATOM 71 NE2 GLN A 18 0.834 2.236 -9.691 1.00 0.00 N ATOM 0 H GLN A 18 2.662 -2.855 -8.399 1.00 0.00 H new ATOM 0 HA GLN A 18 3.651 -1.107 -10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.779 -0.757 -8.648 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.081 -0.337 -7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.789 1.512 -8.931 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.835 0.963 -10.295 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.009 1.945 -10.653 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.015 2.803 -9.471 1.00 0.00 H new ATOM 80 N TRP A 19 5.601 -1.874 -7.925 1.00 0.00 N ATOM 81 CA TRP A 19 6.959 -1.776 -7.417 1.00 0.00 C ATOM 82 C TRP A 19 7.909 -2.274 -8.508 1.00 0.00 C ATOM 83 O TRP A 19 9.030 -1.783 -8.631 1.00 0.00 O ATOM 84 CB TRP A 19 7.108 -2.540 -6.100 1.00 0.00 C ATOM 85 CG TRP A 19 8.471 -2.361 -5.428 1.00 0.00 C ATOM 86 CD1 TRP A 19 8.930 -1.291 -4.765 1.00 0.00 C ATOM 87 CD2 TRP A 19 9.540 -3.330 -5.380 1.00 0.00 C ATOM 88 NE1 TRP A 19 10.211 -1.497 -4.295 1.00 0.00 N ATOM 89 CE2 TRP A 19 10.593 -2.777 -4.681 1.00 0.00 C ATOM 90 CE3 TRP A 19 9.614 -4.630 -5.909 1.00 0.00 C ATOM 91 CZ2 TRP A 19 11.797 -3.452 -4.447 1.00 0.00 C ATOM 92 CZ3 TRP A 19 10.823 -5.292 -5.667 1.00 0.00 C ATOM 93 CH2 TRP A 19 11.893 -4.749 -4.966 1.00 0.00 C ATOM 0 H TRP A 19 5.017 -2.563 -7.451 1.00 0.00 H new ATOM 0 HA TRP A 19 7.210 -0.741 -7.183 1.00 0.00 H new ATOM 0 HB2 TRP A 19 6.329 -2.212 -5.412 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.943 -3.601 -6.287 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.368 -0.381 -4.617 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.774 -0.833 -3.763 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.802 -5.082 -6.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 12.607 -2.997 -3.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.932 -6.295 -6.052 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.795 -5.325 -4.822 1.00 0.00 H new ATOM 104 N ALA A 20 7.426 -3.242 -9.272 1.00 0.00 N ATOM 105 CA ALA A 20 8.218 -3.812 -10.349 1.00 0.00 C ATOM 106 C ALA A 20 8.596 -2.707 -11.337 1.00 0.00 C ATOM 107 O ALA A 20 9.687 -2.725 -11.906 1.00 0.00 O ATOM 108 CB ALA A 20 7.435 -4.946 -11.014 1.00 0.00 C ATOM 0 H ALA A 20 6.496 -3.647 -9.167 1.00 0.00 H new ATOM 0 HA ALA A 20 9.143 -4.239 -9.961 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.029 -5.373 -11.822 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.216 -5.718 -10.277 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.501 -4.555 -11.418 1.00 0.00 H new ATOM 114 N MET A 21 7.674 -1.772 -11.512 1.00 0.00 N ATOM 115 CA MET A 21 7.897 -0.662 -12.422 1.00 0.00 C ATOM 116 C MET A 21 9.237 0.019 -12.138 1.00 0.00 C ATOM 117 O MET A 21 9.823 0.639 -13.024 1.00 0.00 O ATOM 118 CB MET A 21 6.765 0.356 -12.273 1.00 0.00 C ATOM 119 CG MET A 21 5.411 -0.277 -12.602 1.00 0.00 C ATOM 120 SD MET A 21 5.012 -0.007 -14.320 1.00 0.00 S ATOM 121 CE MET A 21 3.912 1.391 -14.167 1.00 0.00 C ATOM 0 H MET A 21 6.771 -1.760 -11.039 1.00 0.00 H new ATOM 0 HA MET A 21 7.917 -1.050 -13.440 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.751 0.743 -11.254 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.944 1.204 -12.934 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.439 -1.346 -12.390 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.636 0.153 -11.968 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.735 1.824 -15.151 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.964 1.063 -13.739 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.364 2.140 -13.517 1.00 0.00 H new ATOM 131 N GLN A 22 9.683 -0.118 -10.898 1.00 0.00 N ATOM 132 CA GLN A 22 10.943 0.476 -10.485 1.00 0.00 C ATOM 133 C GLN A 22 11.981 0.348 -11.602 1.00 0.00 C ATOM 134 O GLN A 22 12.247 1.310 -12.321 1.00 0.00 O ATOM 135 CB GLN A 22 11.451 -0.159 -9.189 1.00 0.00 C ATOM 136 CG GLN A 22 10.797 0.491 -7.968 1.00 0.00 C ATOM 137 CD GLN A 22 11.548 0.127 -6.686 1.00 0.00 C ATOM 138 OE1 GLN A 22 11.752 -1.032 -6.363 1.00 0.00 O ATOM 139 NE2 GLN A 22 11.947 1.178 -5.975 1.00 0.00 N ATOM 0 H GLN A 22 9.194 -0.632 -10.165 1.00 0.00 H new ATOM 0 HA GLN A 22 10.776 1.535 -10.290 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.237 -1.228 -9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.534 -0.051 -9.127 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.784 1.574 -8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.759 0.166 -7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.743 2.122 -6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.457 1.040 -5.102 1.00 0.00 H new ATOM 148 N THR A 23 12.540 -0.848 -11.712 1.00 0.00 N ATOM 149 CA THR A 23 13.543 -1.115 -12.729 1.00 0.00 C ATOM 150 C THR A 23 12.904 -1.122 -14.120 1.00 0.00 C ATOM 151 O THR A 23 13.290 -0.343 -14.989 1.00 0.00 O ATOM 152 CB THR A 23 14.240 -2.429 -12.373 1.00 0.00 C ATOM 153 OG1 THR A 23 15.155 -2.069 -11.343 1.00 0.00 O ATOM 154 CG2 THR A 23 15.134 -2.943 -13.504 1.00 0.00 C ATOM 0 H THR A 23 12.317 -1.643 -11.113 1.00 0.00 H new ATOM 0 HA THR A 23 14.297 -0.328 -12.757 1.00 0.00 H new ATOM 0 HB THR A 23 13.491 -3.183 -12.132 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.649 -2.864 -11.052 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.605 -3.878 -13.199 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.531 -3.114 -14.396 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.904 -2.204 -13.724 1.00 0.00 H new ATOM 162 N LEU A 24 11.936 -2.012 -14.286 1.00 0.00 N ATOM 163 CA LEU A 24 11.240 -2.132 -15.555 1.00 0.00 C ATOM 164 C LEU A 24 11.056 -0.741 -16.164 1.00 0.00 C ATOM 165 O LEU A 24 11.618 -0.440 -17.216 1.00 0.00 O ATOM 166 CB LEU A 24 9.931 -2.904 -15.378 1.00 0.00 C ATOM 167 CG LEU A 24 9.004 -2.942 -16.595 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.933 -4.023 -16.435 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.394 -1.565 -16.863 1.00 0.00 C ATOM 0 H LEU A 24 11.618 -2.657 -13.562 1.00 0.00 H new ATOM 0 HA LEU A 24 11.833 -2.714 -16.261 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.172 -3.929 -15.098 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.384 -2.466 -14.543 1.00 0.00 H new ATOM 0 HG LEU A 24 9.599 -3.206 -17.469 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.288 -4.029 -17.313 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.412 -4.997 -16.330 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.336 -3.815 -15.547 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.740 -1.620 -17.733 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.817 -1.247 -15.994 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.190 -0.845 -17.053 1.00 0.00 H new ATOM 181 N MET A 25 10.266 0.071 -15.477 1.00 0.00 N ATOM 182 CA MET A 25 10.001 1.424 -15.937 1.00 0.00 C ATOM 183 C MET A 25 11.226 2.319 -15.743 1.00 0.00 C ATOM 184 O MET A 25 11.364 3.343 -16.412 1.00 0.00 O ATOM 185 CB MET A 25 8.816 2.004 -15.162 1.00 0.00 C ATOM 186 CG MET A 25 9.261 3.164 -14.269 1.00 0.00 C ATOM 187 SD MET A 25 7.870 3.788 -13.341 1.00 0.00 S ATOM 188 CE MET A 25 6.766 4.204 -14.680 1.00 0.00 C ATOM 0 H MET A 25 9.801 -0.182 -14.605 1.00 0.00 H new ATOM 0 HA MET A 25 9.767 1.387 -17.001 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.054 2.350 -15.861 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.359 1.225 -14.552 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.043 2.830 -13.587 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.688 3.960 -14.879 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.369 5.207 -14.526 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.310 4.170 -15.624 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.944 3.489 -14.709 1.00 0.00 H new ATOM 198 N GLY A 26 12.085 1.901 -14.825 1.00 0.00 N ATOM 199 CA GLY A 26 13.295 2.653 -14.535 1.00 0.00 C ATOM 200 C GLY A 26 14.321 2.496 -15.659 1.00 0.00 C ATOM 201 O GLY A 26 15.348 3.173 -15.666 1.00 0.00 O ATOM 0 H GLY A 26 11.968 1.052 -14.272 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.050 3.707 -14.406 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.725 2.308 -13.595 1.00 0.00 H new ATOM 205 N SER A 27 14.008 1.598 -16.582 1.00 0.00 N ATOM 206 CA SER A 27 14.890 1.343 -17.708 1.00 0.00 C ATOM 207 C SER A 27 15.034 2.608 -18.556 1.00 0.00 C ATOM 208 O SER A 27 15.891 2.675 -19.436 1.00 0.00 O ATOM 209 CB SER A 27 14.371 0.186 -18.564 1.00 0.00 C ATOM 210 OG SER A 27 13.559 0.642 -19.642 1.00 0.00 O ATOM 0 H SER A 27 13.156 1.038 -16.573 1.00 0.00 H new ATOM 0 HA SER A 27 15.868 1.060 -17.319 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.215 -0.379 -18.960 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.795 -0.497 -17.940 1.00 0.00 H new ATOM 0 HG SER A 27 12.658 0.268 -19.553 1.00 0.00 H new ATOM 216 N GLY A 28 14.182 3.579 -18.263 1.00 0.00 N ATOM 217 CA GLY A 28 14.203 4.838 -18.988 1.00 0.00 C ATOM 218 C GLY A 28 13.143 4.853 -20.092 1.00 0.00 C ATOM 219 O GLY A 28 13.087 5.787 -20.890 1.00 0.00 O ATOM 0 H GLY A 28 13.472 3.519 -17.533 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.026 5.662 -18.297 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.190 4.994 -19.424 1.00 0.00 H new ATOM 223 N VAL A 29 12.330 3.807 -20.101 1.00 0.00 N ATOM 224 CA VAL A 29 11.275 3.689 -21.093 1.00 0.00 C ATOM 225 C VAL A 29 10.155 4.677 -20.761 1.00 0.00 C ATOM 226 O VAL A 29 9.666 5.384 -21.640 1.00 0.00 O ATOM 227 CB VAL A 29 10.790 2.240 -21.171 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.450 2.148 -21.903 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.840 1.346 -21.835 1.00 0.00 C ATOM 0 H VAL A 29 12.381 3.034 -19.438 1.00 0.00 H new ATOM 0 HA VAL A 29 11.652 3.946 -22.083 1.00 0.00 H new ATOM 0 HB VAL A 29 10.640 1.882 -20.152 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.129 1.107 -21.944 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.703 2.738 -21.371 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.562 2.533 -22.916 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.471 0.321 -21.878 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.036 1.704 -22.846 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.762 1.375 -21.255 1.00 0.00 H new ATOM 239 N LEU A 30 9.781 4.693 -19.490 1.00 0.00 N ATOM 240 CA LEU A 30 8.727 5.582 -19.031 1.00 0.00 C ATOM 241 C LEU A 30 9.355 6.805 -18.360 1.00 0.00 C ATOM 242 O LEU A 30 10.576 6.897 -18.246 1.00 0.00 O ATOM 243 CB LEU A 30 7.742 4.827 -18.137 1.00 0.00 C ATOM 244 CG LEU A 30 6.901 3.749 -18.825 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.135 2.913 -17.798 1.00 0.00 C ATOM 246 CD2 LEU A 30 5.971 4.365 -19.872 1.00 0.00 C ATOM 0 H LEU A 30 10.189 4.105 -18.764 1.00 0.00 H new ATOM 0 HA LEU A 30 8.141 5.947 -19.874 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.302 4.360 -17.326 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.066 5.551 -17.682 1.00 0.00 H new ATOM 0 HG LEU A 30 7.575 3.073 -19.351 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.546 2.155 -18.313 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.841 2.428 -17.124 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.472 3.560 -17.224 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.385 3.578 -20.346 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.301 5.076 -19.390 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.564 4.880 -20.627 1.00 0.00 H new ATOM 258 N ALA A 31 8.491 7.714 -17.933 1.00 0.00 N ATOM 259 CA ALA A 31 8.945 8.928 -17.276 1.00 0.00 C ATOM 260 C ALA A 31 8.224 9.078 -15.935 1.00 0.00 C ATOM 261 O ALA A 31 7.002 8.956 -15.867 1.00 0.00 O ATOM 262 CB ALA A 31 8.714 10.126 -18.199 1.00 0.00 C ATOM 0 H ALA A 31 7.479 7.634 -18.029 1.00 0.00 H new ATOM 0 HA ALA A 31 10.014 8.876 -17.071 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.055 11.036 -17.706 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.271 9.985 -19.125 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.651 10.212 -18.425 1.00 0.00 H new ATOM 268 N ARG A 32 9.011 9.339 -14.902 1.00 0.00 N ATOM 269 CA ARG A 32 8.462 9.506 -13.567 1.00 0.00 C ATOM 270 C ARG A 32 8.898 10.850 -12.978 1.00 0.00 C ATOM 271 O ARG A 32 9.944 11.383 -13.346 1.00 0.00 O ATOM 272 CB ARG A 32 8.919 8.379 -12.638 1.00 0.00 C ATOM 273 CG ARG A 32 10.443 8.361 -12.506 1.00 0.00 C ATOM 274 CD ARG A 32 10.874 7.624 -11.236 1.00 0.00 C ATOM 275 NE ARG A 32 10.805 6.161 -11.451 1.00 0.00 N ATOM 276 CZ ARG A 32 11.793 5.434 -11.991 1.00 0.00 C ATOM 277 NH1 ARG A 32 12.931 6.029 -12.374 1.00 0.00 N ATOM 278 NH2 ARG A 32 11.642 4.112 -12.148 1.00 0.00 N ATOM 0 H ARG A 32 10.024 9.439 -14.962 1.00 0.00 H new ATOM 0 HA ARG A 32 7.376 9.476 -13.650 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.467 8.508 -11.655 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.573 7.421 -13.025 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.882 7.877 -13.378 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.822 9.383 -12.484 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.890 7.912 -10.965 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.229 7.908 -10.404 1.00 0.00 H new ATOM 0 HE ARG A 32 9.953 5.676 -11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.045 7.035 -12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.683 5.475 -12.785 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.776 3.659 -11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.393 3.558 -12.559 1.00 0.00 H new ATOM 292 N CYS A 33 8.074 11.359 -12.074 1.00 0.00 N ATOM 293 CA CYS A 33 8.361 12.630 -11.431 1.00 0.00 C ATOM 294 C CYS A 33 9.314 12.373 -10.263 1.00 0.00 C ATOM 295 O CYS A 33 9.140 11.411 -9.515 1.00 0.00 O ATOM 296 CB CYS A 33 7.082 13.337 -10.980 1.00 0.00 C ATOM 297 SG CYS A 33 7.334 15.149 -10.981 1.00 0.00 S ATOM 0 H CYS A 33 7.207 10.914 -11.772 1.00 0.00 H new ATOM 0 HA CYS A 33 8.837 13.303 -12.145 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.259 13.076 -11.645 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.804 13.001 -9.981 1.00 0.00 H new ATOM 0 HG CYS A 33 6.241 15.739 -10.598 1.00 0.00 H new ATOM 302 N ARG A 34 10.300 13.249 -10.141 1.00 0.00 N ATOM 303 CA ARG A 34 11.281 13.129 -9.076 1.00 0.00 C ATOM 304 C ARG A 34 10.606 13.290 -7.712 1.00 0.00 C ATOM 305 O ARG A 34 11.211 13.008 -6.679 1.00 0.00 O ATOM 306 CB ARG A 34 12.382 14.181 -9.220 1.00 0.00 C ATOM 307 CG ARG A 34 13.310 13.848 -10.390 1.00 0.00 C ATOM 308 CD ARG A 34 13.918 12.453 -10.227 1.00 0.00 C ATOM 309 NE ARG A 34 15.238 12.396 -10.894 1.00 0.00 N ATOM 310 CZ ARG A 34 16.376 12.844 -10.348 1.00 0.00 C ATOM 311 NH1 ARG A 34 16.363 13.385 -9.122 1.00 0.00 N ATOM 312 NH2 ARG A 34 17.528 12.751 -11.026 1.00 0.00 N ATOM 0 H ARG A 34 10.441 14.045 -10.762 1.00 0.00 H new ATOM 0 HA ARG A 34 11.730 12.138 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.934 15.162 -9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.960 14.236 -8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.754 13.899 -11.326 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.106 14.591 -10.451 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.025 12.215 -9.169 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.252 11.704 -10.656 1.00 0.00 H new ATOM 0 HE ARG A 34 15.284 11.990 -11.829 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.487 13.455 -8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.230 13.726 -8.706 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.539 12.339 -11.959 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.394 13.093 -10.609 1.00 0.00 H new ATOM 326 N ILE A 35 9.362 13.745 -7.753 1.00 0.00 N ATOM 327 CA ILE A 35 8.599 13.947 -6.534 1.00 0.00 C ATOM 328 C ILE A 35 7.550 12.840 -6.404 1.00 0.00 C ATOM 329 O ILE A 35 7.008 12.618 -5.322 1.00 0.00 O ATOM 330 CB ILE A 35 8.010 15.359 -6.498 1.00 0.00 C ATOM 331 CG1 ILE A 35 6.787 15.420 -5.581 1.00 0.00 C ATOM 332 CG2 ILE A 35 7.693 15.856 -7.910 1.00 0.00 C ATOM 333 CD1 ILE A 35 6.026 16.734 -5.768 1.00 0.00 C ATOM 0 H ILE A 35 8.864 13.979 -8.612 1.00 0.00 H new ATOM 0 HA ILE A 35 9.249 13.875 -5.662 1.00 0.00 H new ATOM 0 HB ILE A 35 8.759 16.031 -6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.126 14.580 -5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.102 15.323 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.276 16.862 -7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.607 15.874 -8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.970 15.187 -8.377 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.161 16.751 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.682 17.571 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.691 16.817 -6.802 1.00 0.00 H new ATOM 345 N HIS A 36 7.296 12.175 -7.521 1.00 0.00 N ATOM 346 CA HIS A 36 6.323 11.097 -7.546 1.00 0.00 C ATOM 347 C HIS A 36 6.976 9.829 -8.100 1.00 0.00 C ATOM 348 O HIS A 36 7.365 9.786 -9.266 1.00 0.00 O ATOM 349 CB HIS A 36 5.074 11.510 -8.327 1.00 0.00 C ATOM 350 CG HIS A 36 4.747 12.982 -8.229 1.00 0.00 C ATOM 351 ND1 HIS A 36 4.453 13.606 -7.029 1.00 0.00 N ATOM 352 CD2 HIS A 36 4.673 13.944 -9.192 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.213 14.886 -7.272 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.349 15.094 -8.613 1.00 0.00 N ATOM 0 H HIS A 36 7.748 12.362 -8.416 1.00 0.00 H new ATOM 0 HA HIS A 36 5.990 10.879 -6.531 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.211 11.248 -9.376 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.223 10.934 -7.963 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.848 13.796 -10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.955 15.634 -6.537 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.223 15.986 -9.092 1.00 0.00 H new ATOM 362 N ASN A 37 7.074 8.828 -7.238 1.00 0.00 N ATOM 363 CA ASN A 37 7.673 7.562 -7.626 1.00 0.00 C ATOM 364 C ASN A 37 6.567 6.571 -7.994 1.00 0.00 C ATOM 365 O ASN A 37 6.844 5.485 -8.500 1.00 0.00 O ATOM 366 CB ASN A 37 8.484 6.960 -6.477 1.00 0.00 C ATOM 367 CG ASN A 37 9.728 7.801 -6.184 1.00 0.00 C ATOM 368 OD1 ASN A 37 9.702 9.021 -6.199 1.00 0.00 O ATOM 369 ND2 ASN A 37 10.816 7.083 -5.919 1.00 0.00 N ATOM 0 H ASN A 37 6.749 8.868 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 37 8.333 7.747 -8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.864 6.898 -5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.780 5.942 -6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.698 7.551 -5.712 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.768 6.064 -5.923 1.00 0.00 H new ATOM 376 N ASP A 38 5.336 6.981 -7.725 1.00 0.00 N ATOM 377 CA ASP A 38 4.186 6.143 -8.022 1.00 0.00 C ATOM 378 C ASP A 38 3.533 6.621 -9.320 1.00 0.00 C ATOM 379 O ASP A 38 2.578 6.012 -9.799 1.00 0.00 O ATOM 380 CB ASP A 38 3.141 6.228 -6.908 1.00 0.00 C ATOM 381 CG ASP A 38 3.620 5.752 -5.534 1.00 0.00 C ATOM 382 OD1 ASP A 38 4.816 5.825 -5.214 1.00 0.00 O ATOM 383 OD2 ASP A 38 2.695 5.285 -4.766 1.00 0.00 O ATOM 0 H ASP A 38 5.110 7.882 -7.305 1.00 0.00 H new ATOM 0 HA ASP A 38 4.533 5.114 -8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.807 7.262 -6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.273 5.636 -7.199 1.00 0.00 H new ATOM 389 N VAL A 39 4.074 7.707 -9.852 1.00 0.00 N ATOM 390 CA VAL A 39 3.556 8.274 -11.086 1.00 0.00 C ATOM 391 C VAL A 39 4.319 7.683 -12.273 1.00 0.00 C ATOM 392 O VAL A 39 5.537 7.517 -12.213 1.00 0.00 O ATOM 393 CB VAL A 39 3.627 9.801 -11.030 1.00 0.00 C ATOM 394 CG1 VAL A 39 4.967 10.308 -11.567 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.458 10.432 -11.790 1.00 0.00 C ATOM 0 H VAL A 39 4.866 8.210 -9.451 1.00 0.00 H new ATOM 0 HA VAL A 39 2.505 8.015 -11.214 1.00 0.00 H new ATOM 0 HB VAL A 39 3.550 10.102 -9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.991 11.397 -11.516 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.778 9.898 -10.965 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.087 9.991 -12.603 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.532 11.518 -11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.491 10.119 -12.833 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.517 10.109 -11.344 1.00 0.00 H new ATOM 405 N ILE A 40 3.572 7.382 -13.325 1.00 0.00 N ATOM 406 CA ILE A 40 4.163 6.814 -14.525 1.00 0.00 C ATOM 407 C ILE A 40 3.777 7.669 -15.733 1.00 0.00 C ATOM 408 O ILE A 40 2.605 7.992 -15.921 1.00 0.00 O ATOM 409 CB ILE A 40 3.776 5.340 -14.666 1.00 0.00 C ATOM 410 CG1 ILE A 40 4.216 4.785 -16.022 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.279 5.141 -14.424 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.238 5.194 -17.126 1.00 0.00 C ATOM 0 H ILE A 40 2.563 7.521 -13.371 1.00 0.00 H new ATOM 0 HA ILE A 40 5.251 6.830 -14.458 1.00 0.00 H new ATOM 0 HB ILE A 40 4.304 4.773 -13.899 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.214 5.151 -16.262 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.278 3.698 -15.971 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.030 4.085 -14.530 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.026 5.474 -13.417 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.712 5.722 -15.152 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.574 4.786 -18.079 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.246 4.806 -16.895 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.196 6.281 -17.191 1.00 0.00 H new ATOM 424 N LEU A 41 4.786 8.013 -16.520 1.00 0.00 N ATOM 425 CA LEU A 41 4.567 8.825 -17.705 1.00 0.00 C ATOM 426 C LEU A 41 5.136 8.101 -18.927 1.00 0.00 C ATOM 427 O LEU A 41 5.935 7.176 -18.788 1.00 0.00 O ATOM 428 CB LEU A 41 5.135 10.231 -17.504 1.00 0.00 C ATOM 429 CG LEU A 41 4.822 10.895 -16.161 1.00 0.00 C ATOM 430 CD1 LEU A 41 5.900 11.916 -15.790 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.424 11.515 -16.169 1.00 0.00 C ATOM 0 H LEU A 41 5.757 7.744 -16.360 1.00 0.00 H new ATOM 0 HA LEU A 41 3.500 8.960 -17.882 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.218 10.184 -17.620 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.757 10.872 -18.301 1.00 0.00 H new ATOM 0 HG LEU A 41 4.828 10.125 -15.389 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.654 12.373 -14.832 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.865 11.415 -15.716 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.950 12.688 -16.558 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.227 11.980 -15.203 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.365 12.269 -16.954 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.683 10.738 -16.356 1.00 0.00 H new ATOM 443 N ASP A 42 4.703 8.550 -20.096 1.00 0.00 N ATOM 444 CA ASP A 42 5.160 7.956 -21.341 1.00 0.00 C ATOM 445 C ASP A 42 6.337 8.767 -21.886 1.00 0.00 C ATOM 446 O ASP A 42 6.255 9.989 -21.997 1.00 0.00 O ATOM 447 CB ASP A 42 4.051 7.965 -22.395 1.00 0.00 C ATOM 448 CG ASP A 42 4.407 7.279 -23.715 1.00 0.00 C ATOM 449 OD1 ASP A 42 4.430 7.915 -24.779 1.00 0.00 O ATOM 450 OD2 ASP A 42 4.673 6.020 -23.621 1.00 0.00 O ATOM 0 H ASP A 42 4.041 9.318 -20.207 1.00 0.00 H new ATOM 0 HA ASP A 42 5.454 6.927 -21.136 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.169 7.479 -21.977 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.777 8.999 -22.603 1.00 0.00 H new ATOM 456 N SER A 43 7.405 8.054 -22.212 1.00 0.00 N ATOM 457 CA SER A 43 8.597 8.692 -22.743 1.00 0.00 C ATOM 458 C SER A 43 8.549 8.702 -24.272 1.00 0.00 C ATOM 459 O SER A 43 8.739 9.745 -24.896 1.00 0.00 O ATOM 460 CB SER A 43 9.864 7.985 -22.256 1.00 0.00 C ATOM 461 OG SER A 43 10.980 8.869 -22.196 1.00 0.00 O ATOM 0 H SER A 43 7.469 7.040 -22.119 1.00 0.00 H new ATOM 0 HA SER A 43 8.625 9.720 -22.380 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.685 7.560 -21.268 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.095 7.155 -22.923 1.00 0.00 H new ATOM 0 HG SER A 43 11.768 8.380 -21.879 1.00 0.00 H new ATOM 467 N GLY A 44 8.294 7.528 -24.832 1.00 0.00 N ATOM 468 CA GLY A 44 8.218 7.389 -26.276 1.00 0.00 C ATOM 469 C GLY A 44 9.495 6.757 -26.834 1.00 0.00 C ATOM 470 O GLY A 44 9.949 7.120 -27.918 1.00 0.00 O ATOM 0 H GLY A 44 8.138 6.665 -24.311 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.358 6.774 -26.541 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.063 8.367 -26.731 1.00 0.00 H new ATOM 474 N ASN A 45 10.038 5.823 -26.067 1.00 0.00 N ATOM 475 CA ASN A 45 11.254 5.138 -26.471 1.00 0.00 C ATOM 476 C ASN A 45 10.981 3.635 -26.562 1.00 0.00 C ATOM 477 O ASN A 45 9.921 3.167 -26.150 1.00 0.00 O ATOM 478 CB ASN A 45 12.373 5.353 -25.450 1.00 0.00 C ATOM 479 CG ASN A 45 13.097 6.677 -25.702 1.00 0.00 C ATOM 480 OD1 ASN A 45 12.985 7.629 -24.947 1.00 0.00 O ATOM 481 ND2 ASN A 45 13.845 6.685 -26.802 1.00 0.00 N ATOM 0 H ASN A 45 9.658 5.525 -25.168 1.00 0.00 H new ATOM 0 HA ASN A 45 11.563 5.541 -27.435 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.957 5.348 -24.443 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.084 4.529 -25.506 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.369 7.523 -27.057 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.895 5.854 -27.391 1.00 0.00 H new ATOM 488 N ASP A 46 11.956 2.921 -27.105 1.00 0.00 N ATOM 489 CA ASP A 46 11.834 1.481 -27.256 1.00 0.00 C ATOM 490 C ASP A 46 11.372 0.871 -25.931 1.00 0.00 C ATOM 491 O ASP A 46 12.173 0.688 -25.015 1.00 0.00 O ATOM 492 CB ASP A 46 13.178 0.849 -27.624 1.00 0.00 C ATOM 493 CG ASP A 46 14.263 0.966 -26.551 1.00 0.00 C ATOM 494 OD1 ASP A 46 14.785 -0.045 -26.059 1.00 0.00 O ATOM 495 OD2 ASP A 46 14.572 2.173 -26.217 1.00 0.00 O ATOM 0 H ASP A 46 12.834 3.313 -27.446 1.00 0.00 H new ATOM 0 HA ASP A 46 11.114 1.286 -28.051 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.018 -0.207 -27.844 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.542 1.314 -28.540 1.00 0.00 H new ATOM 501 N ALA A 47 10.083 0.572 -25.871 1.00 0.00 N ATOM 502 CA ALA A 47 9.505 -0.013 -24.674 1.00 0.00 C ATOM 503 C ALA A 47 9.878 -1.496 -24.605 1.00 0.00 C ATOM 504 O ALA A 47 9.752 -2.123 -23.555 1.00 0.00 O ATOM 505 CB ALA A 47 7.991 0.207 -24.677 1.00 0.00 C ATOM 0 H ALA A 47 9.422 0.724 -26.633 1.00 0.00 H new ATOM 0 HA ALA A 47 9.903 0.470 -23.781 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.558 -0.232 -23.778 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.779 1.276 -24.697 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.556 -0.266 -25.558 1.00 0.00 H new ATOM 511 N SER A 48 10.329 -2.012 -25.738 1.00 0.00 N ATOM 512 CA SER A 48 10.721 -3.409 -25.820 1.00 0.00 C ATOM 513 C SER A 48 11.714 -3.740 -24.704 1.00 0.00 C ATOM 514 O SER A 48 11.664 -4.824 -24.125 1.00 0.00 O ATOM 515 CB SER A 48 11.331 -3.731 -27.186 1.00 0.00 C ATOM 516 OG SER A 48 11.691 -5.105 -27.299 1.00 0.00 O ATOM 0 H SER A 48 10.432 -1.488 -26.607 1.00 0.00 H new ATOM 0 HA SER A 48 9.828 -4.022 -25.697 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.618 -3.477 -27.970 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.213 -3.111 -27.344 1.00 0.00 H new ATOM 0 HG SER A 48 12.075 -5.271 -28.185 1.00 0.00 H new ATOM 522 N SER A 49 12.594 -2.786 -24.437 1.00 0.00 N ATOM 523 CA SER A 49 13.597 -2.963 -23.401 1.00 0.00 C ATOM 524 C SER A 49 12.929 -2.994 -22.025 1.00 0.00 C ATOM 525 O SER A 49 13.424 -3.644 -21.105 1.00 0.00 O ATOM 526 CB SER A 49 14.647 -1.851 -23.455 1.00 0.00 C ATOM 527 OG SER A 49 14.056 -0.556 -23.398 1.00 0.00 O ATOM 0 H SER A 49 12.633 -1.888 -24.920 1.00 0.00 H new ATOM 0 HA SER A 49 14.103 -3.913 -23.574 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.343 -1.969 -22.624 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.227 -1.945 -24.373 1.00 0.00 H new ATOM 0 HG SER A 49 14.026 -0.170 -24.298 1.00 0.00 H new ATOM 533 N ALA A 50 11.814 -2.284 -21.927 1.00 0.00 N ATOM 534 CA ALA A 50 11.073 -2.223 -20.679 1.00 0.00 C ATOM 535 C ALA A 50 10.377 -3.564 -20.438 1.00 0.00 C ATOM 536 O ALA A 50 10.383 -4.078 -19.321 1.00 0.00 O ATOM 537 CB ALA A 50 10.086 -1.055 -20.729 1.00 0.00 C ATOM 0 H ALA A 50 11.406 -1.746 -22.692 1.00 0.00 H new ATOM 0 HA ALA A 50 11.747 -2.046 -19.841 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.530 -1.009 -19.793 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.632 -0.123 -20.873 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.392 -1.200 -21.557 1.00 0.00 H new ATOM 543 N TYR A 51 9.795 -4.093 -21.504 1.00 0.00 N ATOM 544 CA TYR A 51 9.096 -5.364 -21.422 1.00 0.00 C ATOM 545 C TYR A 51 10.053 -6.491 -21.029 1.00 0.00 C ATOM 546 O TYR A 51 9.749 -7.288 -20.143 1.00 0.00 O ATOM 547 CB TYR A 51 8.553 -5.638 -22.826 1.00 0.00 C ATOM 548 CG TYR A 51 7.210 -4.966 -23.116 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.041 -5.526 -22.642 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.167 -3.800 -23.853 1.00 0.00 C ATOM 551 CE1 TYR A 51 4.777 -4.894 -22.915 1.00 0.00 C ATOM 552 CE2 TYR A 51 5.902 -3.167 -24.126 1.00 0.00 C ATOM 553 CZ TYR A 51 4.770 -3.745 -23.644 1.00 0.00 C ATOM 554 OH TYR A 51 3.576 -3.148 -23.901 1.00 0.00 O ATOM 0 H TYR A 51 9.793 -3.664 -22.430 1.00 0.00 H new ATOM 0 HA TYR A 51 8.308 -5.321 -20.670 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.284 -5.298 -23.560 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.445 -6.714 -22.959 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.075 -6.439 -22.066 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.081 -3.362 -24.225 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.855 -5.322 -22.550 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.854 -2.254 -24.701 1.00 0.00 H new ATOM 0 HH TYR A 51 3.723 -2.336 -24.430 1.00 0.00 H new ATOM 564 N LYS A 52 11.190 -6.523 -21.709 1.00 0.00 N ATOM 565 CA LYS A 52 12.194 -7.539 -21.442 1.00 0.00 C ATOM 566 C LYS A 52 12.725 -7.364 -20.018 1.00 0.00 C ATOM 567 O LYS A 52 12.778 -8.322 -19.249 1.00 0.00 O ATOM 568 CB LYS A 52 13.286 -7.508 -22.513 1.00 0.00 C ATOM 569 CG LYS A 52 14.092 -8.808 -22.511 1.00 0.00 C ATOM 570 CD LYS A 52 15.281 -8.715 -21.552 1.00 0.00 C ATOM 571 CE LYS A 52 16.492 -8.082 -22.240 1.00 0.00 C ATOM 572 NZ LYS A 52 16.459 -6.610 -22.099 1.00 0.00 N ATOM 0 H LYS A 52 11.438 -5.861 -22.445 1.00 0.00 H new ATOM 0 HA LYS A 52 11.753 -8.534 -21.498 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.835 -7.357 -23.494 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.951 -6.663 -22.335 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.449 -9.638 -22.219 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.449 -9.020 -23.519 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.004 -8.124 -20.679 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.542 -9.710 -21.193 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.411 -8.474 -21.804 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.499 -8.352 -23.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.431 -6.242 -22.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.956 -6.195 -22.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.966 -6.357 -21.219 1.00 0.00 H new ATOM 586 N LEU A 53 13.104 -6.132 -19.709 1.00 0.00 N ATOM 587 CA LEU A 53 13.629 -5.819 -18.391 1.00 0.00 C ATOM 588 C LEU A 53 12.588 -6.187 -17.332 1.00 0.00 C ATOM 589 O LEU A 53 12.935 -6.684 -16.261 1.00 0.00 O ATOM 590 CB LEU A 53 14.081 -4.359 -18.327 1.00 0.00 C ATOM 591 CG LEU A 53 15.047 -4.005 -17.195 1.00 0.00 C ATOM 592 CD1 LEU A 53 14.880 -2.545 -16.768 1.00 0.00 C ATOM 593 CD2 LEU A 53 14.889 -4.969 -16.018 1.00 0.00 C ATOM 0 H LEU A 53 13.058 -5.339 -20.349 1.00 0.00 H new ATOM 0 HA LEU A 53 14.519 -6.413 -18.185 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.555 -4.104 -19.275 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.196 -3.729 -18.233 1.00 0.00 H new ATOM 0 HG LEU A 53 16.065 -4.116 -17.567 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.578 -2.319 -15.962 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.083 -1.892 -17.617 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.860 -2.382 -16.420 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.587 -4.695 -15.227 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.869 -4.914 -15.637 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.098 -5.986 -16.350 1.00 0.00 H new ATOM 605 N GLY A 54 11.332 -5.929 -17.667 1.00 0.00 N ATOM 606 CA GLY A 54 10.238 -6.226 -16.758 1.00 0.00 C ATOM 607 C GLY A 54 10.046 -7.737 -16.608 1.00 0.00 C ATOM 608 O GLY A 54 9.809 -8.229 -15.506 1.00 0.00 O ATOM 0 H GLY A 54 11.048 -5.517 -18.556 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.440 -5.783 -15.783 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.318 -5.774 -17.130 1.00 0.00 H new ATOM 612 N THR A 55 10.156 -8.430 -17.731 1.00 0.00 N ATOM 613 CA THR A 55 9.997 -9.874 -17.738 1.00 0.00 C ATOM 614 C THR A 55 10.987 -10.524 -16.770 1.00 0.00 C ATOM 615 O THR A 55 10.607 -11.372 -15.964 1.00 0.00 O ATOM 616 CB THR A 55 10.151 -10.360 -19.181 1.00 0.00 C ATOM 617 OG1 THR A 55 8.898 -10.052 -19.786 1.00 0.00 O ATOM 618 CG2 THR A 55 10.247 -11.884 -19.279 1.00 0.00 C ATOM 0 H THR A 55 10.353 -8.018 -18.643 1.00 0.00 H new ATOM 0 HA THR A 55 9.007 -10.164 -17.386 1.00 0.00 H new ATOM 0 HB THR A 55 11.041 -9.911 -19.622 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.880 -9.105 -20.036 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.355 -12.175 -20.324 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.112 -12.231 -18.714 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.342 -12.333 -18.869 1.00 0.00 H new ATOM 626 N TYR A 56 12.238 -10.101 -16.880 1.00 0.00 N ATOM 627 CA TYR A 56 13.286 -10.631 -16.024 1.00 0.00 C ATOM 628 C TYR A 56 13.144 -10.105 -14.595 1.00 0.00 C ATOM 629 O TYR A 56 13.494 -10.795 -13.638 1.00 0.00 O ATOM 630 CB TYR A 56 14.606 -10.128 -16.612 1.00 0.00 C ATOM 631 CG TYR A 56 15.135 -10.977 -17.770 1.00 0.00 C ATOM 632 CD1 TYR A 56 14.260 -11.492 -18.704 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.488 -11.227 -17.880 1.00 0.00 C ATOM 634 CE1 TYR A 56 14.758 -12.291 -19.794 1.00 0.00 C ATOM 635 CE2 TYR A 56 16.986 -12.026 -18.970 1.00 0.00 C ATOM 636 CZ TYR A 56 16.096 -12.518 -19.873 1.00 0.00 C ATOM 637 OH TYR A 56 16.567 -13.272 -20.902 1.00 0.00 O ATOM 0 H TYR A 56 12.549 -9.397 -17.549 1.00 0.00 H new ATOM 0 HA TYR A 56 13.235 -11.719 -15.983 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.471 -9.103 -16.958 1.00 0.00 H new ATOM 0 HB3 TYR A 56 15.357 -10.101 -15.822 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.201 -11.296 -18.618 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.173 -10.824 -17.149 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.084 -12.700 -20.532 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.042 -12.230 -19.068 1.00 0.00 H new ATOM 0 HH TYR A 56 17.541 -13.350 -20.831 1.00 0.00 H new ATOM 647 N LEU A 57 12.631 -8.888 -14.494 1.00 0.00 N ATOM 648 CA LEU A 57 12.439 -8.261 -13.197 1.00 0.00 C ATOM 649 C LEU A 57 11.214 -8.874 -12.516 1.00 0.00 C ATOM 650 O LEU A 57 11.106 -8.855 -11.291 1.00 0.00 O ATOM 651 CB LEU A 57 12.366 -6.740 -13.343 1.00 0.00 C ATOM 652 CG LEU A 57 11.789 -5.979 -12.148 1.00 0.00 C ATOM 653 CD1 LEU A 57 10.266 -6.113 -12.095 1.00 0.00 C ATOM 654 CD2 LEU A 57 12.449 -6.427 -10.842 1.00 0.00 C ATOM 0 H LEU A 57 12.342 -8.319 -15.290 1.00 0.00 H new ATOM 0 HA LEU A 57 13.294 -8.455 -12.549 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.371 -6.365 -13.537 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.764 -6.508 -14.222 1.00 0.00 H new ATOM 0 HG LEU A 57 12.015 -4.920 -12.277 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.882 -5.563 -11.236 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.833 -5.707 -13.009 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.996 -7.165 -12.002 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.021 -5.871 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.276 -7.493 -10.694 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.521 -6.237 -10.892 1.00 0.00 H new ATOM 666 N TYR A 58 10.321 -9.402 -13.340 1.00 0.00 N ATOM 667 CA TYR A 58 9.107 -10.019 -12.832 1.00 0.00 C ATOM 668 C TYR A 58 9.313 -11.517 -12.593 1.00 0.00 C ATOM 669 O TYR A 58 8.729 -12.087 -11.672 1.00 0.00 O ATOM 670 CB TYR A 58 8.050 -9.830 -13.922 1.00 0.00 C ATOM 671 CG TYR A 58 7.293 -8.504 -13.830 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.760 -8.096 -12.624 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.143 -7.716 -14.953 1.00 0.00 C ATOM 674 CE1 TYR A 58 6.047 -6.848 -12.538 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.430 -6.468 -14.867 1.00 0.00 C ATOM 676 CZ TYR A 58 5.917 -6.095 -13.663 1.00 0.00 C ATOM 677 OH TYR A 58 5.244 -4.916 -13.581 1.00 0.00 O ATOM 0 H TYR A 58 10.414 -9.415 -14.356 1.00 0.00 H new ATOM 0 HA TYR A 58 8.815 -9.568 -11.884 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.533 -9.894 -14.897 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.334 -10.650 -13.866 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.878 -8.713 -11.745 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.560 -8.035 -15.896 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.625 -6.517 -11.601 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.305 -5.842 -15.738 1.00 0.00 H new ATOM 0 HH TYR A 58 5.231 -4.485 -14.461 1.00 0.00 H new ATOM 687 N GLN A 59 10.144 -12.110 -13.437 1.00 0.00 N ATOM 688 CA GLN A 59 10.433 -13.530 -13.328 1.00 0.00 C ATOM 689 C GLN A 59 11.505 -13.773 -12.264 1.00 0.00 C ATOM 690 O GLN A 59 11.434 -14.748 -11.517 1.00 0.00 O ATOM 691 CB GLN A 59 10.860 -14.107 -14.679 1.00 0.00 C ATOM 692 CG GLN A 59 9.650 -14.622 -15.462 1.00 0.00 C ATOM 693 CD GLN A 59 8.717 -13.472 -15.847 1.00 0.00 C ATOM 694 OE1 GLN A 59 8.294 -12.680 -15.022 1.00 0.00 O ATOM 695 NE2 GLN A 59 8.420 -13.427 -17.142 1.00 0.00 N ATOM 0 H GLN A 59 10.626 -11.634 -14.199 1.00 0.00 H new ATOM 0 HA GLN A 59 9.522 -14.044 -13.022 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.374 -13.341 -15.260 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.570 -14.919 -14.524 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.987 -15.138 -16.361 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.106 -15.351 -14.861 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.809 -14.122 -17.779 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.803 -12.697 -17.499 1.00 0.00 H new ATOM 856 N LEU A 70 3.449 -14.200 -16.804 1.00 0.00 N ATOM 857 CA LEU A 70 4.117 -13.057 -17.401 1.00 0.00 C ATOM 858 C LEU A 70 3.074 -12.140 -18.044 1.00 0.00 C ATOM 859 O LEU A 70 3.262 -10.926 -18.103 1.00 0.00 O ATOM 860 CB LEU A 70 5.208 -13.520 -18.369 1.00 0.00 C ATOM 861 CG LEU A 70 5.491 -12.594 -19.554 1.00 0.00 C ATOM 862 CD1 LEU A 70 5.803 -11.174 -19.077 1.00 0.00 C ATOM 863 CD2 LEU A 70 6.604 -13.159 -20.438 1.00 0.00 C ATOM 0 HA LEU A 70 4.628 -12.472 -16.636 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.133 -13.651 -17.807 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.929 -14.500 -18.757 1.00 0.00 H new ATOM 0 HG LEU A 70 4.591 -12.538 -20.166 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.000 -10.536 -19.938 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.951 -10.781 -18.522 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.680 -11.192 -18.430 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.785 -12.482 -21.273 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.517 -13.264 -19.851 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.305 -14.135 -20.821 1.00 0.00 H new ATOM 875 N THR A 71 1.997 -12.756 -18.508 1.00 0.00 N ATOM 876 CA THR A 71 0.924 -12.011 -19.144 1.00 0.00 C ATOM 877 C THR A 71 0.470 -10.859 -18.245 1.00 0.00 C ATOM 878 O THR A 71 0.081 -9.800 -18.736 1.00 0.00 O ATOM 879 CB THR A 71 -0.198 -12.994 -19.484 1.00 0.00 C ATOM 880 OG1 THR A 71 -0.994 -12.295 -20.437 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.146 -13.231 -18.307 1.00 0.00 C ATOM 0 H THR A 71 1.844 -13.763 -18.456 1.00 0.00 H new ATOM 0 HA THR A 71 1.260 -11.547 -20.071 1.00 0.00 H new ATOM 0 HB THR A 71 0.234 -13.944 -19.798 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.745 -12.861 -20.714 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.923 -13.936 -18.602 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.586 -13.639 -17.465 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.605 -12.287 -18.014 1.00 0.00 H new ATOM 889 N GLU A 72 0.536 -11.104 -16.945 1.00 0.00 N ATOM 890 CA GLU A 72 0.137 -10.100 -15.973 1.00 0.00 C ATOM 891 C GLU A 72 1.092 -8.906 -16.020 1.00 0.00 C ATOM 892 O GLU A 72 0.656 -7.756 -16.009 1.00 0.00 O ATOM 893 CB GLU A 72 0.071 -10.695 -14.565 1.00 0.00 C ATOM 894 CG GLU A 72 -0.148 -9.602 -13.517 1.00 0.00 C ATOM 895 CD GLU A 72 -1.437 -8.826 -13.797 1.00 0.00 C ATOM 896 OE1 GLU A 72 -2.503 -9.436 -13.968 1.00 0.00 O ATOM 897 OE2 GLU A 72 -1.304 -7.543 -13.832 1.00 0.00 O ATOM 0 H GLU A 72 0.860 -11.983 -16.542 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.863 -9.750 -16.231 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.739 -11.422 -14.511 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.995 -11.231 -14.349 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.197 -10.049 -12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.700 -8.918 -13.517 1.00 0.00 H new ATOM 905 N ALA A 73 2.378 -9.220 -16.071 1.00 0.00 N ATOM 906 CA ALA A 73 3.399 -8.187 -16.120 1.00 0.00 C ATOM 907 C ALA A 73 3.261 -7.400 -17.425 1.00 0.00 C ATOM 908 O ALA A 73 3.196 -6.172 -17.409 1.00 0.00 O ATOM 909 CB ALA A 73 4.781 -8.827 -15.969 1.00 0.00 C ATOM 0 H ALA A 73 2.736 -10.175 -16.079 1.00 0.00 H new ATOM 0 HA ALA A 73 3.273 -7.484 -15.296 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.547 -8.052 -16.006 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.838 -9.348 -15.014 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.944 -9.537 -16.780 1.00 0.00 H new ATOM 915 N ARG A 74 3.220 -8.140 -18.523 1.00 0.00 N ATOM 916 CA ARG A 74 3.090 -7.527 -19.834 1.00 0.00 C ATOM 917 C ARG A 74 1.859 -6.620 -19.877 1.00 0.00 C ATOM 918 O ARG A 74 1.888 -5.556 -20.494 1.00 0.00 O ATOM 919 CB ARG A 74 2.971 -8.589 -20.929 1.00 0.00 C ATOM 920 CG ARG A 74 3.453 -8.044 -22.276 1.00 0.00 C ATOM 921 CD ARG A 74 2.317 -7.339 -23.020 1.00 0.00 C ATOM 922 NE ARG A 74 1.559 -8.319 -23.830 1.00 0.00 N ATOM 923 CZ ARG A 74 1.950 -8.762 -25.033 1.00 0.00 C ATOM 924 NH1 ARG A 74 3.093 -8.317 -25.572 1.00 0.00 N ATOM 925 NH2 ARG A 74 1.199 -9.651 -25.696 1.00 0.00 N ATOM 0 H ARG A 74 3.275 -9.159 -18.532 1.00 0.00 H new ATOM 0 HA ARG A 74 3.988 -6.935 -20.013 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.559 -9.466 -20.656 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.934 -8.914 -21.014 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.276 -7.347 -22.117 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.840 -8.861 -22.885 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.652 -6.851 -22.307 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.722 -6.558 -23.664 1.00 0.00 H new ATOM 0 HE ARG A 74 0.684 -8.680 -23.449 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.666 -7.641 -25.067 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.390 -8.654 -26.488 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.329 -9.991 -25.285 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.497 -9.988 -26.612 1.00 0.00 H new ATOM 939 N ASP A 75 0.806 -7.074 -19.213 1.00 0.00 N ATOM 940 CA ASP A 75 -0.434 -6.317 -19.167 1.00 0.00 C ATOM 941 C ASP A 75 -0.281 -5.157 -18.181 1.00 0.00 C ATOM 942 O ASP A 75 -0.901 -4.108 -18.350 1.00 0.00 O ATOM 943 CB ASP A 75 -1.596 -7.191 -18.693 1.00 0.00 C ATOM 944 CG ASP A 75 -2.988 -6.660 -19.041 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.743 -6.222 -18.160 1.00 0.00 O ATOM 946 OD2 ASP A 75 -3.293 -6.710 -20.293 1.00 0.00 O ATOM 0 H ASP A 75 0.786 -7.957 -18.702 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.645 -5.953 -20.173 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.484 -8.185 -19.126 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.527 -7.305 -17.611 1.00 0.00 H new ATOM 952 N ALA A 76 0.547 -5.384 -17.172 1.00 0.00 N ATOM 953 CA ALA A 76 0.789 -4.371 -16.159 1.00 0.00 C ATOM 954 C ALA A 76 1.361 -3.118 -16.824 1.00 0.00 C ATOM 955 O ALA A 76 0.843 -2.019 -16.634 1.00 0.00 O ATOM 956 CB ALA A 76 1.718 -4.937 -15.083 1.00 0.00 C ATOM 0 H ALA A 76 1.059 -6.255 -17.034 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.142 -4.088 -15.669 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.900 -4.177 -14.323 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.252 -5.808 -14.622 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.665 -5.230 -15.537 1.00 0.00 H new ATOM 962 N ILE A 77 2.423 -3.325 -17.590 1.00 0.00 N ATOM 963 CA ILE A 77 3.071 -2.225 -18.283 1.00 0.00 C ATOM 964 C ILE A 77 2.133 -1.687 -19.366 1.00 0.00 C ATOM 965 O ILE A 77 1.861 -0.489 -19.417 1.00 0.00 O ATOM 966 CB ILE A 77 4.439 -2.659 -18.815 1.00 0.00 C ATOM 967 CG1 ILE A 77 4.305 -3.852 -19.763 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.407 -2.946 -17.666 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.571 -4.712 -19.745 1.00 0.00 C ATOM 0 H ILE A 77 2.850 -4.238 -17.745 1.00 0.00 H new ATOM 0 HA ILE A 77 3.268 -1.404 -17.594 1.00 0.00 H new ATOM 0 HB ILE A 77 4.859 -1.835 -19.392 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.446 -4.457 -19.473 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.117 -3.497 -20.776 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.372 -3.252 -18.071 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.535 -2.046 -17.065 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.005 -3.745 -17.042 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.449 -5.553 -20.427 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.424 -4.110 -20.059 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.743 -5.086 -18.736 1.00 0.00 H new ATOM 981 N LYS A 78 1.665 -2.600 -20.205 1.00 0.00 N ATOM 982 CA LYS A 78 0.763 -2.232 -21.283 1.00 0.00 C ATOM 983 C LYS A 78 -0.444 -1.492 -20.703 1.00 0.00 C ATOM 984 O LYS A 78 -1.053 -0.664 -21.379 1.00 0.00 O ATOM 985 CB LYS A 78 0.390 -3.462 -22.113 1.00 0.00 C ATOM 986 CG LYS A 78 -0.932 -4.066 -21.635 1.00 0.00 C ATOM 987 CD LYS A 78 -2.125 -3.295 -22.204 1.00 0.00 C ATOM 988 CE LYS A 78 -3.263 -4.245 -22.580 1.00 0.00 C ATOM 989 NZ LYS A 78 -4.142 -3.625 -23.596 1.00 0.00 N ATOM 0 H LYS A 78 1.894 -3.593 -20.160 1.00 0.00 H new ATOM 0 HA LYS A 78 1.255 -1.547 -21.974 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.308 -3.185 -23.164 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.182 -4.208 -22.041 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.990 -5.111 -21.941 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.970 -4.050 -20.546 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.478 -2.571 -21.470 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.812 -2.731 -23.083 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.853 -5.178 -22.966 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.844 -4.495 -21.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.909 -4.284 -23.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.548 -2.747 -23.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.588 -3.408 -24.449 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.754 -1.818 -19.457 1.00 0.00 N ATOM 1004 CA ASP A 79 -1.878 -1.195 -18.778 1.00 0.00 C ATOM 1005 C ASP A 79 -1.507 0.240 -18.398 1.00 0.00 C ATOM 1006 O ASP A 79 -2.300 1.161 -18.588 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.231 -1.948 -17.494 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.229 -3.095 -17.670 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -3.718 -3.672 -16.688 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -3.503 -3.395 -18.894 1.00 0.00 O ATOM 0 H ASP A 79 -0.247 -2.505 -18.900 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.733 -1.213 -19.454 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.314 -2.348 -17.061 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.640 -1.238 -16.775 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.301 0.385 -17.868 1.00 0.00 N ATOM 1017 CA ALA A 80 0.184 1.692 -17.459 1.00 0.00 C ATOM 1018 C ALA A 80 0.360 2.575 -18.696 1.00 0.00 C ATOM 1019 O ALA A 80 0.047 3.764 -18.664 1.00 0.00 O ATOM 1020 CB ALA A 80 1.484 1.530 -16.669 1.00 0.00 C ATOM 0 H ALA A 80 0.354 -0.381 -17.713 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.537 2.181 -16.804 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.848 2.511 -16.362 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.299 0.919 -15.786 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.233 1.045 -17.296 1.00 0.00 H new ATOM 1026 N TYR A 81 0.860 1.959 -19.758 1.00 0.00 N ATOM 1027 CA TYR A 81 1.081 2.675 -21.003 1.00 0.00 C ATOM 1028 C TYR A 81 -0.245 3.128 -21.618 1.00 0.00 C ATOM 1029 O TYR A 81 -0.388 4.284 -22.011 1.00 0.00 O ATOM 1030 CB TYR A 81 1.754 1.678 -21.948 1.00 0.00 C ATOM 1031 CG TYR A 81 3.250 1.487 -21.690 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.713 1.335 -20.399 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.136 1.466 -22.748 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.121 1.155 -20.155 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.544 1.286 -22.504 1.00 0.00 C ATOM 1036 CZ TYR A 81 5.966 1.140 -21.220 1.00 0.00 C ATOM 1037 OH TYR A 81 7.296 0.970 -20.990 1.00 0.00 O ATOM 0 H TYR A 81 1.118 0.972 -19.782 1.00 0.00 H new ATOM 0 HA TYR A 81 1.688 3.564 -20.832 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.254 0.714 -21.858 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.613 2.015 -22.975 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.019 1.351 -19.571 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.774 1.584 -23.758 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.497 1.035 -19.150 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.248 1.267 -23.322 1.00 0.00 H new ATOM 0 HH TYR A 81 7.511 0.014 -21.004 1.00 0.00 H new ATOM 1047 N GLU A 82 -1.181 2.192 -21.681 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.490 2.481 -22.241 1.00 0.00 C ATOM 1049 C GLU A 82 -3.323 3.298 -21.251 1.00 0.00 C ATOM 1050 O GLU A 82 -4.244 4.010 -21.649 1.00 0.00 O ATOM 1051 CB GLU A 82 -3.215 1.192 -22.634 1.00 0.00 C ATOM 1052 CG GLU A 82 -2.672 0.638 -23.953 1.00 0.00 C ATOM 1053 CD GLU A 82 -3.088 1.521 -25.131 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -4.012 2.336 -24.999 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -2.412 1.339 -26.215 1.00 0.00 O ATOM 0 H GLU A 82 -1.059 1.234 -21.354 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.353 3.073 -23.146 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.095 0.448 -21.846 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.283 1.386 -22.729 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.585 0.577 -23.906 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.042 -0.376 -24.105 1.00 0.00 H new ATOM 1063 N SER A 83 -2.970 3.167 -19.981 1.00 0.00 N ATOM 1064 CA SER A 83 -3.673 3.885 -18.931 1.00 0.00 C ATOM 1065 C SER A 83 -3.350 5.378 -19.011 1.00 0.00 C ATOM 1066 O SER A 83 -4.250 6.215 -18.964 1.00 0.00 O ATOM 1067 CB SER A 83 -3.309 3.336 -17.550 1.00 0.00 C ATOM 1068 OG SER A 83 -4.026 2.144 -17.243 1.00 0.00 O ATOM 0 H SER A 83 -2.206 2.574 -19.655 1.00 0.00 H new ATOM 0 HA SER A 83 -4.744 3.744 -19.078 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.238 3.135 -17.510 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.520 4.091 -16.793 1.00 0.00 H new ATOM 0 HG SER A 83 -3.551 1.372 -17.615 1.00 0.00 H new ATOM 1074 N TYR A 84 -2.062 5.667 -19.131 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.610 7.045 -19.218 1.00 0.00 C ATOM 1076 C TYR A 84 -1.228 7.407 -20.654 1.00 0.00 C ATOM 1077 O TYR A 84 -0.739 8.506 -20.913 1.00 0.00 O ATOM 1078 CB TYR A 84 -0.364 7.136 -18.334 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.633 6.869 -16.851 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -1.332 7.791 -16.099 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.176 5.706 -16.266 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -1.585 7.540 -14.704 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.428 5.454 -14.871 1.00 0.00 C ATOM 1084 CZ TYR A 84 -1.120 6.384 -14.159 1.00 0.00 C ATOM 1085 OH TYR A 84 -1.359 6.147 -12.841 1.00 0.00 O ATOM 0 H TYR A 84 -1.318 4.970 -19.170 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.398 7.728 -18.902 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.377 6.421 -18.693 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.073 8.129 -18.441 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.689 8.701 -16.557 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.371 4.984 -16.855 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.131 8.253 -14.104 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.076 4.548 -14.401 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.970 5.284 -12.588 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.466 6.462 -21.552 1.00 0.00 N ATOM 1096 CA CYS A 85 -1.153 6.668 -22.956 1.00 0.00 C ATOM 1097 C CYS A 85 -1.642 8.061 -23.358 1.00 0.00 C ATOM 1098 O CYS A 85 -2.823 8.373 -23.217 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.760 5.574 -23.837 1.00 0.00 C ATOM 1100 SG CYS A 85 -2.377 6.299 -25.400 1.00 0.00 S ATOM 0 H CYS A 85 -1.872 5.552 -21.335 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.075 6.606 -23.104 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.012 4.811 -24.051 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.576 5.081 -23.308 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.888 5.361 -26.141 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.708 8.861 -23.850 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.028 10.214 -24.274 1.00 0.00 C ATOM 1108 C GLY A 86 -0.558 11.238 -23.239 1.00 0.00 C ATOM 1109 O GLY A 86 -0.789 12.436 -23.397 1.00 0.00 O ATOM 0 H GLY A 86 0.271 8.599 -23.965 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.556 10.419 -25.235 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.104 10.308 -24.421 1.00 0.00 H new ATOM 1113 N ILE A 87 0.093 10.729 -22.203 1.00 0.00 N ATOM 1114 CA ILE A 87 0.598 11.585 -21.143 1.00 0.00 C ATOM 1115 C ILE A 87 2.127 11.581 -21.175 1.00 0.00 C ATOM 1116 O ILE A 87 2.755 10.557 -20.909 1.00 0.00 O ATOM 1117 CB ILE A 87 0.010 11.169 -19.793 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -1.516 11.083 -19.863 1.00 0.00 C ATOM 1119 CG2 ILE A 87 0.480 12.106 -18.678 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -2.095 10.533 -18.558 1.00 0.00 C ATOM 0 H ILE A 87 0.282 9.735 -22.075 1.00 0.00 H new ATOM 0 HA ILE A 87 0.278 12.615 -21.300 1.00 0.00 H new ATOM 0 HB ILE A 87 0.379 10.172 -19.553 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.931 12.071 -20.061 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.810 10.442 -20.694 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.048 11.788 -17.729 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.567 12.074 -18.610 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.160 13.124 -18.899 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.181 10.482 -18.635 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.697 9.535 -18.376 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.820 11.190 -17.733 1.00 0.00 H new ATOM 1132 N ASP A 88 2.684 12.738 -21.503 1.00 0.00 N ATOM 1133 CA ASP A 88 4.128 12.880 -21.572 1.00 0.00 C ATOM 1134 C ASP A 88 4.590 13.880 -20.510 1.00 0.00 C ATOM 1135 O ASP A 88 5.788 14.052 -20.294 1.00 0.00 O ATOM 1136 CB ASP A 88 4.564 13.410 -22.940 1.00 0.00 C ATOM 1137 CG ASP A 88 6.034 13.170 -23.288 1.00 0.00 C ATOM 1138 OD1 ASP A 88 6.458 13.360 -24.438 1.00 0.00 O ATOM 1139 OD2 ASP A 88 6.767 12.765 -22.307 1.00 0.00 O ATOM 0 H ASP A 88 2.161 13.585 -21.724 1.00 0.00 H new ATOM 0 HA ASP A 88 4.571 11.898 -21.406 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.944 12.946 -23.707 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.368 14.482 -22.977 1.00 0.00 H new ATOM 1145 N ASP A 89 3.614 14.513 -19.875 1.00 0.00 N ATOM 1146 CA ASP A 89 3.905 15.491 -18.841 1.00 0.00 C ATOM 1147 C ASP A 89 3.258 15.045 -17.528 1.00 0.00 C ATOM 1148 O ASP A 89 2.174 14.464 -17.532 1.00 0.00 O ATOM 1149 CB ASP A 89 3.338 16.864 -19.205 1.00 0.00 C ATOM 1150 CG ASP A 89 2.070 16.834 -20.061 1.00 0.00 C ATOM 1151 OD1 ASP A 89 2.020 16.165 -21.104 1.00 0.00 O ATOM 1152 OD2 ASP A 89 1.092 17.544 -19.611 1.00 0.00 O ATOM 0 H ASP A 89 2.621 14.367 -20.057 1.00 0.00 H new ATOM 0 HA ASP A 89 4.988 15.564 -18.741 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.124 17.408 -18.285 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.104 17.427 -19.737 1.00 0.00 H new