USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 852 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 85 HIS : no HD1:sc= -0.301 K(o=-2.5,f=-7.5!) USER MOD Set 1.2: A 86 CYS SG : rot 61:sc= -0.527 USER MOD Set 1.3: A 91 HIS : no HE2:sc= -1.99 K(o=-2.5,f=-12!) USER MOD Set 1.4: A 93 CYS SG : rot 180:sc= 0.25 USER MOD Set 1.5: A 98 HIS : no HD1:sc= 0.0322 K(o=-2.5,f=-4.5) USER MOD Set 2.1: A 23 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.7!) USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 1 MET N :NH3+ 158:sc= 2.15 (180deg=1) USER MOD Set 3.2: A 8 HIS : no HE2:sc= -1.69! C(o=0.46!,f=-13!) USER MOD Set 3.3: A 10 GLN : amide:sc= 0 K(o=0.46,f=-2.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.519) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0109 F(o=-0.64!,f=-0.011) USER MOD Single : A 20 GLN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0634 USER MOD Single : A 31 ASN : amide:sc= 0.0271 X(o=0.027,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.347 K(o=-0.35,f=-1.2) USER MOD Single : A 38 CYS SG : rot 180:sc= -0.131 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0508) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 46 GLN : amide:sc=-0.00324 X(o=-0.0032,f=-0.0024) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -28:sc= 0.118 USER MOD Single : A 55 ASN : amide:sc= 0.283 X(o=0.28,f=-0.019) USER MOD Single : A 57 HIS : no HE2:sc= -0.453 K(o=-0.45,f=-2.9!) USER MOD Single : A 58 CYS SG : rot -12:sc= 0.0326 USER MOD Single : A 66 HIS : no HE2:sc= -0.9 X(o=-0.9,f=-0.96) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.717 F(o=-1.3,f=-0.72) USER MOD Single : A 79 ASN : amide:sc= -0.323 K(o=-0.32,f=-3.1!) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.08) USER MOD Single : A 97 MET CE :methyl -168:sc= 0 (180deg=-0.125) USER MOD Single : A 100 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0.817 K(o=0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.025 -12.892 8.120 1.00 0.00 N ATOM 2 CA MET A 1 -8.479 -13.127 8.171 1.00 0.00 C ATOM 3 C MET A 1 -9.194 -11.776 8.156 1.00 0.00 C ATOM 4 O MET A 1 -8.864 -10.920 8.970 1.00 0.00 O ATOM 5 CB MET A 1 -8.830 -13.975 9.404 1.00 0.00 C ATOM 6 CG MET A 1 -9.338 -15.349 8.968 1.00 0.00 C ATOM 7 SD MET A 1 -8.999 -16.690 10.126 1.00 0.00 S ATOM 8 CE MET A 1 -7.322 -17.118 9.595 1.00 0.00 C ATOM 0 H1 MET A 1 -6.526 -13.724 8.495 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.734 -12.728 7.135 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.788 -12.058 8.694 1.00 0.00 H new ATOM 0 HA MET A 1 -8.813 -13.692 7.300 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.952 -14.088 10.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.591 -13.469 9.999 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.415 -15.288 8.811 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.889 -15.597 8.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.945 -17.938 10.206 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.338 -17.423 8.549 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.671 -16.251 9.710 1.00 0.00 H new ATOM 18 N GLY A 2 -10.115 -11.531 7.218 1.00 0.00 N ATOM 19 CA GLY A 2 -10.691 -10.204 7.000 1.00 0.00 C ATOM 20 C GLY A 2 -12.046 -10.287 6.309 1.00 0.00 C ATOM 21 O GLY A 2 -13.070 -10.373 6.991 1.00 0.00 O ATOM 0 H GLY A 2 -10.480 -12.247 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.800 -9.693 7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.010 -9.606 6.395 1.00 0.00 H new ATOM 25 N ALA A 3 -12.040 -10.324 4.972 1.00 0.00 N ATOM 26 CA ALA A 3 -13.200 -10.401 4.084 1.00 0.00 C ATOM 27 C ALA A 3 -14.199 -9.239 4.247 1.00 0.00 C ATOM 28 O ALA A 3 -14.049 -8.351 5.092 1.00 0.00 O ATOM 29 CB ALA A 3 -13.867 -11.779 4.238 1.00 0.00 C ATOM 0 H ALA A 3 -11.165 -10.299 4.449 1.00 0.00 H new ATOM 0 HA ALA A 3 -12.837 -10.289 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.732 -11.840 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.154 -12.560 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.188 -11.914 5.271 1.00 0.00 H new ATOM 35 N GLY A 4 -15.256 -9.251 3.431 1.00 0.00 N ATOM 36 CA GLY A 4 -16.427 -8.407 3.609 1.00 0.00 C ATOM 37 C GLY A 4 -16.267 -7.031 2.974 1.00 0.00 C ATOM 38 O GLY A 4 -16.776 -6.801 1.878 1.00 0.00 O ATOM 0 H GLY A 4 -15.317 -9.860 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.296 -8.903 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.626 -8.289 4.674 1.00 0.00 H new ATOM 42 N GLN A 5 -15.625 -6.098 3.681 1.00 0.00 N ATOM 43 CA GLN A 5 -15.672 -4.667 3.340 1.00 0.00 C ATOM 44 C GLN A 5 -14.430 -3.852 3.714 1.00 0.00 C ATOM 45 O GLN A 5 -14.361 -2.629 3.559 1.00 0.00 O ATOM 46 CB GLN A 5 -16.897 -4.040 4.000 1.00 0.00 C ATOM 47 CG GLN A 5 -17.087 -4.357 5.490 1.00 0.00 C ATOM 48 CD GLN A 5 -18.280 -3.664 6.153 1.00 0.00 C ATOM 49 OE1 GLN A 5 -18.458 -3.791 7.360 1.00 0.00 O ATOM 50 NE2 GLN A 5 -19.179 -2.999 5.447 1.00 0.00 N ATOM 0 H GLN A 5 -15.059 -6.308 4.503 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.720 -4.632 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.836 -2.958 3.883 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.785 -4.369 3.461 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.203 -5.435 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.180 -4.075 6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.052 -2.881 4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.999 -2.604 5.908 1.00 0.00 H new ATOM 59 N THR A 6 -13.446 -4.556 4.210 1.00 0.00 N ATOM 60 CA THR A 6 -12.080 -4.110 4.426 1.00 0.00 C ATOM 61 C THR A 6 -11.113 -5.263 4.141 1.00 0.00 C ATOM 62 O THR A 6 -11.520 -6.432 4.157 1.00 0.00 O ATOM 63 CB THR A 6 -11.894 -3.585 5.866 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.729 -4.253 6.792 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.169 -2.085 5.957 1.00 0.00 C ATOM 0 H THR A 6 -13.580 -5.526 4.496 1.00 0.00 H new ATOM 0 HA THR A 6 -11.865 -3.288 3.743 1.00 0.00 H new ATOM 0 HB THR A 6 -10.853 -3.783 6.121 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.577 -3.891 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.028 -1.751 6.985 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.481 -1.549 5.304 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.194 -1.884 5.647 1.00 0.00 H new ATOM 73 N PRO A 7 -9.827 -4.962 3.897 1.00 0.00 N ATOM 74 CA PRO A 7 -8.806 -5.979 3.700 1.00 0.00 C ATOM 75 C PRO A 7 -8.527 -6.770 4.985 1.00 0.00 C ATOM 76 O PRO A 7 -8.470 -7.999 4.936 1.00 0.00 O ATOM 77 CB PRO A 7 -7.572 -5.227 3.186 1.00 0.00 C ATOM 78 CG PRO A 7 -7.768 -3.809 3.715 1.00 0.00 C ATOM 79 CD PRO A 7 -9.276 -3.632 3.677 1.00 0.00 C ATOM 0 HA PRO A 7 -9.125 -6.736 2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.649 -5.670 3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.517 -5.245 2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.375 -3.698 4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.260 -3.073 3.092 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.609 -2.936 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.600 -3.226 2.719 1.00 0.00 H new ATOM 87 N HIS A 8 -8.304 -6.098 6.124 1.00 0.00 N ATOM 88 CA HIS A 8 -7.931 -6.779 7.360 1.00 0.00 C ATOM 89 C HIS A 8 -8.244 -5.904 8.580 1.00 0.00 C ATOM 90 O HIS A 8 -7.988 -4.703 8.502 1.00 0.00 O ATOM 91 CB HIS A 8 -6.418 -7.057 7.314 1.00 0.00 C ATOM 92 CG HIS A 8 -6.041 -8.261 8.121 1.00 0.00 C ATOM 93 ND1 HIS A 8 -5.394 -8.266 9.330 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.318 -9.555 7.789 1.00 0.00 C ATOM 95 CE1 HIS A 8 -5.280 -9.544 9.724 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.816 -10.368 8.810 1.00 0.00 N ATOM 0 H HIS A 8 -8.377 -5.084 6.209 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.498 -7.706 7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.108 -7.203 6.279 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.879 -6.187 7.688 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -5.060 -7.447 9.838 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.831 -9.890 6.900 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.821 -9.865 10.648 1.00 0.00 H new ATOM 104 N PRO A 9 -8.661 -6.453 9.737 1.00 0.00 N ATOM 105 CA PRO A 9 -8.872 -5.676 10.964 1.00 0.00 C ATOM 106 C PRO A 9 -7.561 -5.218 11.615 1.00 0.00 C ATOM 107 O PRO A 9 -7.558 -4.291 12.422 1.00 0.00 O ATOM 108 CB PRO A 9 -9.630 -6.612 11.913 1.00 0.00 C ATOM 109 CG PRO A 9 -9.169 -7.998 11.464 1.00 0.00 C ATOM 110 CD PRO A 9 -9.018 -7.845 9.956 1.00 0.00 C ATOM 0 HA PRO A 9 -9.420 -4.761 10.739 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.378 -6.421 12.956 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.710 -6.495 11.819 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.228 -8.282 11.936 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.898 -8.767 11.719 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.248 -8.512 9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.945 -8.097 9.442 1.00 0.00 H new ATOM 118 N GLN A 10 -6.436 -5.872 11.304 1.00 0.00 N ATOM 119 CA GLN A 10 -5.135 -5.455 11.831 1.00 0.00 C ATOM 120 C GLN A 10 -4.496 -4.348 10.973 1.00 0.00 C ATOM 121 O GLN A 10 -3.478 -3.796 11.384 1.00 0.00 O ATOM 122 CB GLN A 10 -4.195 -6.655 12.043 1.00 0.00 C ATOM 123 CG GLN A 10 -4.838 -7.806 12.842 1.00 0.00 C ATOM 124 CD GLN A 10 -3.780 -8.765 13.387 1.00 0.00 C ATOM 125 OE1 GLN A 10 -3.396 -9.731 12.730 1.00 0.00 O ATOM 126 NE2 GLN A 10 -3.264 -8.489 14.572 1.00 0.00 N ATOM 0 H GLN A 10 -6.402 -6.688 10.693 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.308 -5.019 12.815 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.875 -7.032 11.072 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.299 -6.317 12.564 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.420 -7.397 13.668 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.531 -8.352 12.202 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.599 -7.682 15.099 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.531 -9.083 14.960 1.00 0.00 H new ATOM 135 N LEU A 11 -5.061 -4.040 9.796 1.00 0.00 N ATOM 136 CA LEU A 11 -4.676 -2.886 8.981 1.00 0.00 C ATOM 137 C LEU A 11 -5.304 -1.620 9.553 1.00 0.00 C ATOM 138 O LEU A 11 -6.519 -1.588 9.756 1.00 0.00 O ATOM 139 CB LEU A 11 -5.146 -3.085 7.528 1.00 0.00 C ATOM 140 CG LEU A 11 -4.847 -1.874 6.614 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.578 -2.371 5.201 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.987 -0.848 6.508 1.00 0.00 C ATOM 0 H LEU A 11 -5.809 -4.596 9.381 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.590 -2.790 8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.662 -3.970 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.219 -3.277 7.524 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.993 -1.376 7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.366 -1.522 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.721 -3.044 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.454 -2.903 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.685 -0.036 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.876 -1.333 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.209 -0.447 7.497 1.00 0.00 H new ATOM 154 N ILE A 12 -4.502 -0.567 9.707 1.00 0.00 N ATOM 155 CA ILE A 12 -4.908 0.750 10.173 1.00 0.00 C ATOM 156 C ILE A 12 -4.558 1.735 9.054 1.00 0.00 C ATOM 157 O ILE A 12 -3.382 1.926 8.744 1.00 0.00 O ATOM 158 CB ILE A 12 -4.161 1.083 11.485 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.171 -0.050 12.539 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.624 2.405 12.121 1.00 0.00 C ATOM 161 CD1 ILE A 12 -5.557 -0.476 13.038 1.00 0.00 C ATOM 0 H ILE A 12 -3.505 -0.616 9.499 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.975 0.800 10.391 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.126 1.198 11.163 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.673 -0.922 12.114 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.578 0.270 13.396 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.063 2.583 13.038 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.450 3.225 11.424 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.688 2.345 12.352 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.450 -1.274 13.772 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.056 0.377 13.499 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.152 -0.833 12.198 1.00 0.00 H new ATOM 173 N TRP A 13 -5.569 2.349 8.434 1.00 0.00 N ATOM 174 CA TRP A 13 -5.374 3.328 7.364 1.00 0.00 C ATOM 175 C TRP A 13 -4.483 4.491 7.817 1.00 0.00 C ATOM 176 O TRP A 13 -4.510 4.837 9.005 1.00 0.00 O ATOM 177 CB TRP A 13 -6.733 3.865 6.905 1.00 0.00 C ATOM 178 CG TRP A 13 -7.709 2.821 6.467 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.759 2.355 7.179 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.672 2.033 5.242 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.440 1.419 6.429 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.753 1.103 5.274 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.804 1.989 4.128 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.942 0.145 4.267 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.969 1.005 3.132 1.00 0.00 C ATOM 186 CH2 TRP A 13 -8.030 0.083 3.201 1.00 0.00 C ATOM 0 H TRP A 13 -6.549 2.180 8.662 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.873 2.827 6.536 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.176 4.436 7.721 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.573 4.560 6.081 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.023 2.667 8.179 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -10.337 1.012 6.694 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.009 2.714 4.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.779 -0.537 4.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.274 0.958 2.307 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.143 -0.671 2.436 1.00 0.00 H new ATOM 197 N PRO A 14 -3.781 5.160 6.884 1.00 0.00 N ATOM 198 CA PRO A 14 -3.754 4.853 5.454 1.00 0.00 C ATOM 199 C PRO A 14 -3.051 3.533 5.107 1.00 0.00 C ATOM 200 O PRO A 14 -2.433 2.909 5.971 1.00 0.00 O ATOM 201 CB PRO A 14 -2.982 5.988 4.810 1.00 0.00 C ATOM 202 CG PRO A 14 -2.128 6.578 5.927 1.00 0.00 C ATOM 203 CD PRO A 14 -3.003 6.356 7.157 1.00 0.00 C ATOM 0 HA PRO A 14 -4.780 4.746 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.362 5.626 3.990 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.657 6.736 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.167 6.071 6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.918 7.635 5.763 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.394 6.229 8.052 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.653 7.213 7.333 1.00 0.00 H new ATOM 211 N ALA A 15 -3.138 3.123 3.836 1.00 0.00 N ATOM 212 CA ALA A 15 -2.463 1.942 3.326 1.00 0.00 C ATOM 213 C ALA A 15 -1.809 2.194 1.969 1.00 0.00 C ATOM 214 O ALA A 15 -2.026 3.226 1.338 1.00 0.00 O ATOM 215 CB ALA A 15 -3.445 0.771 3.223 1.00 0.00 C ATOM 0 H ALA A 15 -3.688 3.614 3.131 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.671 1.693 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.925 -0.107 2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.852 0.550 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.258 1.036 2.546 1.00 0.00 H new ATOM 221 N LEU A 16 -1.027 1.216 1.518 1.00 0.00 N ATOM 222 CA LEU A 16 -0.246 1.200 0.292 1.00 0.00 C ATOM 223 C LEU A 16 -0.300 -0.226 -0.250 1.00 0.00 C ATOM 224 O LEU A 16 0.280 -1.121 0.371 1.00 0.00 O ATOM 225 CB LEU A 16 1.210 1.614 0.598 1.00 0.00 C ATOM 226 CG LEU A 16 1.430 3.135 0.606 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.736 3.500 1.325 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.484 3.681 -0.823 1.00 0.00 C ATOM 0 H LEU A 16 -0.917 0.349 2.044 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.642 1.901 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.497 1.209 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.870 1.164 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 16 0.590 3.582 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.866 4.582 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.694 3.148 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.576 3.029 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.640 4.759 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.306 3.209 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.545 3.464 -1.331 1.00 0.00 H new ATOM 240 N LEU A 17 -1.025 -0.466 -1.348 1.00 0.00 N ATOM 241 CA LEU A 17 -0.976 -1.750 -2.063 1.00 0.00 C ATOM 242 C LEU A 17 0.232 -1.732 -3.007 1.00 0.00 C ATOM 243 O LEU A 17 0.548 -0.660 -3.536 1.00 0.00 O ATOM 244 CB LEU A 17 -2.277 -1.963 -2.867 1.00 0.00 C ATOM 245 CG LEU A 17 -2.434 -3.384 -3.463 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.979 -4.373 -2.434 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.406 -3.392 -4.643 1.00 0.00 C ATOM 0 H LEU A 17 -1.658 0.217 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.880 -2.569 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.129 -1.758 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.312 -1.236 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.435 -3.681 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.075 -5.358 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.295 -4.431 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.957 -4.037 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.492 -4.405 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.385 -3.048 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.035 -2.729 -5.425 1.00 0.00 H new ATOM 259 N LYS A 18 0.881 -2.874 -3.279 1.00 0.00 N ATOM 260 CA LYS A 18 1.916 -2.960 -4.314 1.00 0.00 C ATOM 261 C LYS A 18 1.881 -4.346 -4.968 1.00 0.00 C ATOM 262 O LYS A 18 2.580 -5.256 -4.502 1.00 0.00 O ATOM 263 CB LYS A 18 3.295 -2.581 -3.723 1.00 0.00 C ATOM 264 CG LYS A 18 4.148 -1.791 -4.730 1.00 0.00 C ATOM 265 CD LYS A 18 4.604 -2.624 -5.937 1.00 0.00 C ATOM 266 CE LYS A 18 5.719 -3.608 -5.570 1.00 0.00 C ATOM 267 NZ LYS A 18 7.054 -2.979 -5.653 1.00 0.00 N ATOM 0 H LYS A 18 0.704 -3.753 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 18 1.721 -2.239 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.153 -1.986 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.826 -3.486 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.575 -0.935 -5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.026 -1.397 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.753 -3.174 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.954 -1.958 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.556 -3.982 -4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.680 -4.468 -6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.692 -3.427 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.437 -3.103 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.973 -1.964 -5.441 1.00 0.00 H new ATOM 281 N GLN A 19 1.088 -4.474 -6.041 1.00 0.00 N ATOM 282 CA GLN A 19 0.786 -5.723 -6.732 1.00 0.00 C ATOM 283 C GLN A 19 2.043 -6.519 -7.041 1.00 0.00 C ATOM 284 O GLN A 19 3.101 -5.957 -7.329 1.00 0.00 O ATOM 285 CB GLN A 19 0.057 -5.479 -8.070 1.00 0.00 C ATOM 286 CG GLN A 19 -1.440 -5.173 -7.945 1.00 0.00 C ATOM 287 CD GLN A 19 -2.248 -5.857 -9.055 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.823 -7.019 -8.836 1.00 0.00 O flip ATOM 289 NE2 GLN A 19 -2.387 -5.361 -10.166 1.00 0.00 N flip ATOM 0 H GLN A 19 0.622 -3.672 -6.465 1.00 0.00 H new ATOM 0 HA GLN A 19 0.145 -6.283 -6.051 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.541 -4.648 -8.584 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.181 -6.360 -8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.801 -5.507 -6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.597 -4.095 -7.990 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.958 -4.461 -10.380 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.932 -5.848 -10.878 1.00 0.00 H new ATOM 298 N GLN A 20 1.894 -7.845 -7.129 1.00 0.00 N ATOM 299 CA GLN A 20 2.997 -8.697 -7.554 1.00 0.00 C ATOM 300 C GLN A 20 3.339 -8.531 -9.040 1.00 0.00 C ATOM 301 O GLN A 20 4.387 -9.001 -9.483 1.00 0.00 O ATOM 302 CB GLN A 20 2.728 -10.170 -7.183 1.00 0.00 C ATOM 303 CG GLN A 20 4.005 -10.814 -6.631 1.00 0.00 C ATOM 304 CD GLN A 20 3.897 -12.321 -6.411 1.00 0.00 C ATOM 305 OE1 GLN A 20 4.323 -13.114 -7.244 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.390 -12.755 -5.266 1.00 0.00 N ATOM 0 H GLN A 20 1.030 -8.342 -6.913 1.00 0.00 H new ATOM 0 HA GLN A 20 3.882 -8.370 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.932 -10.227 -6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.385 -10.718 -8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.826 -10.616 -7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.260 -10.337 -5.685 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.038 -12.088 -4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.352 -13.756 -5.072 1.00 0.00 H new ATOM 315 N GLY A 21 2.490 -7.845 -9.798 1.00 0.00 N ATOM 316 CA GLY A 21 2.645 -7.615 -11.231 1.00 0.00 C ATOM 317 C GLY A 21 3.299 -6.274 -11.568 1.00 0.00 C ATOM 318 O GLY A 21 3.806 -6.115 -12.678 1.00 0.00 O ATOM 0 H GLY A 21 1.645 -7.418 -9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.245 -8.419 -11.657 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.665 -7.662 -11.706 1.00 0.00 H new ATOM 322 N CYS A 22 3.338 -5.315 -10.639 1.00 0.00 N ATOM 323 CA CYS A 22 3.776 -3.949 -10.892 1.00 0.00 C ATOM 324 C CYS A 22 4.811 -3.519 -9.861 1.00 0.00 C ATOM 325 O CYS A 22 5.289 -4.296 -9.030 1.00 0.00 O ATOM 326 CB CYS A 22 2.550 -3.022 -10.896 1.00 0.00 C ATOM 327 SG CYS A 22 1.940 -2.809 -12.592 1.00 0.00 S ATOM 0 H CYS A 22 3.059 -5.475 -9.671 1.00 0.00 H new ATOM 0 HA CYS A 22 4.258 -3.889 -11.868 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.764 -3.442 -10.268 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.814 -2.054 -10.471 1.00 0.00 H new ATOM 0 HG CYS A 22 0.902 -2.026 -12.585 1.00 0.00 H new ATOM 333 N ASN A 23 5.208 -2.260 -9.977 1.00 0.00 N ATOM 334 CA ASN A 23 6.238 -1.606 -9.189 1.00 0.00 C ATOM 335 C ASN A 23 5.748 -0.260 -8.679 1.00 0.00 C ATOM 336 O ASN A 23 6.271 0.204 -7.667 1.00 0.00 O ATOM 337 CB ASN A 23 7.542 -1.472 -9.984 1.00 0.00 C ATOM 338 CG ASN A 23 7.338 -1.443 -11.481 1.00 0.00 C ATOM 339 OD1 ASN A 23 6.812 -0.496 -12.041 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.663 -2.528 -12.149 1.00 0.00 N ATOM 0 H ASN A 23 4.794 -1.632 -10.666 1.00 0.00 H new ATOM 0 HA ASN A 23 6.454 -2.230 -8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.052 -0.559 -9.678 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.199 -2.304 -9.731 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.476 -2.586 -13.150 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.102 -3.312 -11.666 1.00 0.00 H new ATOM 347 N GLU A 24 4.710 0.314 -9.287 1.00 0.00 N ATOM 348 CA GLU A 24 3.990 1.457 -8.746 1.00 0.00 C ATOM 349 C GLU A 24 3.253 0.990 -7.483 1.00 0.00 C ATOM 350 O GLU A 24 2.987 -0.202 -7.319 1.00 0.00 O ATOM 351 CB GLU A 24 3.046 1.954 -9.854 1.00 0.00 C ATOM 352 CG GLU A 24 2.569 3.405 -9.710 1.00 0.00 C ATOM 353 CD GLU A 24 1.782 3.880 -10.948 1.00 0.00 C ATOM 354 OE1 GLU A 24 1.246 3.027 -11.694 1.00 0.00 O ATOM 355 OE2 GLU A 24 1.703 5.114 -11.151 1.00 0.00 O ATOM 0 H GLU A 24 4.344 -0.010 -10.182 1.00 0.00 H new ATOM 0 HA GLU A 24 4.637 2.285 -8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.553 1.849 -10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.172 1.303 -9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.940 3.494 -8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.430 4.056 -9.556 1.00 0.00 H new ATOM 362 N LEU A 25 2.954 1.903 -6.564 1.00 0.00 N ATOM 363 CA LEU A 25 2.125 1.667 -5.385 1.00 0.00 C ATOM 364 C LEU A 25 0.738 2.234 -5.636 1.00 0.00 C ATOM 365 O LEU A 25 0.561 3.084 -6.502 1.00 0.00 O ATOM 366 CB LEU A 25 2.711 2.348 -4.142 1.00 0.00 C ATOM 367 CG LEU A 25 4.012 1.681 -3.669 1.00 0.00 C ATOM 368 CD1 LEU A 25 5.042 2.741 -3.328 1.00 0.00 C ATOM 369 CD2 LEU A 25 3.772 0.808 -2.435 1.00 0.00 C ATOM 0 H LEU A 25 3.294 2.863 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 25 2.085 0.592 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.903 3.398 -4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.978 2.321 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 25 4.376 1.050 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.961 2.261 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.249 3.345 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.657 3.380 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.711 0.350 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.383 1.424 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.050 0.028 -2.676 1.00 0.00 H new ATOM 381 N LEU A 26 -0.211 1.835 -4.797 1.00 0.00 N ATOM 382 CA LEU A 26 -1.564 2.370 -4.725 1.00 0.00 C ATOM 383 C LEU A 26 -1.770 2.982 -3.338 1.00 0.00 C ATOM 384 O LEU A 26 -2.006 2.213 -2.405 1.00 0.00 O ATOM 385 CB LEU A 26 -2.635 1.336 -5.130 1.00 0.00 C ATOM 386 CG LEU A 26 -3.508 1.781 -6.321 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.318 3.033 -5.984 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.712 1.989 -7.617 1.00 0.00 C ATOM 0 H LEU A 26 -0.049 1.093 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.688 3.162 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.143 0.397 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.279 1.138 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.196 0.956 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.922 3.319 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.971 2.827 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.640 3.848 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.388 2.301 -8.413 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.956 2.759 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.226 1.055 -7.899 1.00 0.00 H new ATOM 400 N PRO A 27 -1.446 4.270 -3.107 1.00 0.00 N ATOM 401 CA PRO A 27 -1.757 4.950 -1.848 1.00 0.00 C ATOM 402 C PRO A 27 -3.277 5.002 -1.634 1.00 0.00 C ATOM 403 O PRO A 27 -3.999 5.465 -2.517 1.00 0.00 O ATOM 404 CB PRO A 27 -1.152 6.353 -1.991 1.00 0.00 C ATOM 405 CG PRO A 27 -1.166 6.618 -3.494 1.00 0.00 C ATOM 406 CD PRO A 27 -0.976 5.231 -4.101 1.00 0.00 C ATOM 0 HA PRO A 27 -1.348 4.434 -0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.738 7.096 -1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.139 6.392 -1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.105 7.071 -3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.367 7.298 -3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.539 5.134 -5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.072 5.055 -4.344 1.00 0.00 H new ATOM 414 N LEU A 28 -3.761 4.571 -0.465 1.00 0.00 N ATOM 415 CA LEU A 28 -5.154 4.690 -0.035 1.00 0.00 C ATOM 416 C LEU A 28 -5.183 5.508 1.259 1.00 0.00 C ATOM 417 O LEU A 28 -4.746 5.033 2.312 1.00 0.00 O ATOM 418 CB LEU A 28 -5.817 3.321 0.208 1.00 0.00 C ATOM 419 CG LEU A 28 -6.213 2.431 -0.991 1.00 0.00 C ATOM 420 CD1 LEU A 28 -6.800 3.181 -2.190 1.00 0.00 C ATOM 421 CD2 LEU A 28 -5.066 1.557 -1.492 1.00 0.00 C ATOM 0 H LEU A 28 -3.172 4.114 0.231 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.718 5.179 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.140 2.739 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.720 3.497 0.793 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.001 1.808 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.046 2.470 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.703 3.709 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.070 3.899 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.408 0.956 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.238 2.190 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.732 0.900 -0.689 1.00 0.00 H new ATOM 433 N ARG A 29 -5.684 6.740 1.188 1.00 0.00 N ATOM 434 CA ARG A 29 -5.684 7.720 2.279 1.00 0.00 C ATOM 435 C ARG A 29 -6.563 7.303 3.458 1.00 0.00 C ATOM 436 O ARG A 29 -6.143 7.389 4.616 1.00 0.00 O ATOM 437 CB ARG A 29 -6.176 9.065 1.709 1.00 0.00 C ATOM 438 CG ARG A 29 -5.172 9.723 0.747 1.00 0.00 C ATOM 439 CD ARG A 29 -5.787 10.770 -0.179 1.00 0.00 C ATOM 440 NE ARG A 29 -6.728 10.189 -1.150 1.00 0.00 N ATOM 441 CZ ARG A 29 -7.379 10.891 -2.084 1.00 0.00 C ATOM 442 NH1 ARG A 29 -7.132 12.190 -2.247 1.00 0.00 N ATOM 443 NH2 ARG A 29 -8.288 10.289 -2.835 1.00 0.00 N ATOM 0 H ARG A 29 -6.118 7.099 0.338 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.669 7.798 2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.119 8.907 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.380 9.748 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.380 10.191 1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.705 8.947 0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.306 11.518 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.991 11.287 -0.715 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.895 9.184 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.442 12.656 -1.657 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.633 12.719 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.487 9.298 -2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.789 10.816 -3.550 1.00 0.00 H new ATOM 457 N THR A 30 -7.787 6.877 3.175 1.00 0.00 N ATOM 458 CA THR A 30 -8.810 6.480 4.139 1.00 0.00 C ATOM 459 C THR A 30 -9.615 5.380 3.483 1.00 0.00 C ATOM 460 O THR A 30 -9.466 5.142 2.291 1.00 0.00 O ATOM 461 CB THR A 30 -9.674 7.681 4.593 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.955 7.354 5.094 1.00 0.00 O ATOM 463 CG2 THR A 30 -9.884 8.762 3.525 1.00 0.00 C ATOM 0 H THR A 30 -8.113 6.794 2.212 1.00 0.00 H new ATOM 0 HA THR A 30 -8.361 6.111 5.061 1.00 0.00 H new ATOM 0 HB THR A 30 -9.056 8.067 5.403 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.423 8.174 5.356 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.501 9.562 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.918 9.167 3.222 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.382 8.326 2.659 1.00 0.00 H new ATOM 471 N ASN A 31 -10.451 4.688 4.247 1.00 0.00 N ATOM 472 CA ASN A 31 -11.252 3.546 3.831 1.00 0.00 C ATOM 473 C ASN A 31 -12.115 3.819 2.597 1.00 0.00 C ATOM 474 O ASN A 31 -12.309 2.936 1.766 1.00 0.00 O ATOM 475 CB ASN A 31 -12.125 3.175 5.022 1.00 0.00 C ATOM 476 CG ASN A 31 -13.064 2.017 4.694 1.00 0.00 C ATOM 477 OD1 ASN A 31 -14.279 2.171 4.781 1.00 0.00 O ATOM 478 ND2 ASN A 31 -12.545 0.874 4.272 1.00 0.00 N ATOM 0 H ASN A 31 -10.596 4.923 5.229 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.589 2.733 3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.492 2.902 5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.710 4.042 5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.158 0.101 4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.533 0.767 4.207 1.00 0.00 H new ATOM 485 N ASP A 32 -12.583 5.058 2.467 1.00 0.00 N ATOM 486 CA ASP A 32 -13.343 5.564 1.322 1.00 0.00 C ATOM 487 C ASP A 32 -12.573 5.381 0.009 1.00 0.00 C ATOM 488 O ASP A 32 -13.156 5.079 -1.028 1.00 0.00 O ATOM 489 CB ASP A 32 -13.609 7.048 1.590 1.00 0.00 C ATOM 490 CG ASP A 32 -14.039 7.817 0.345 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.217 7.705 -0.049 1.00 0.00 O ATOM 492 OD2 ASP A 32 -13.195 8.600 -0.165 1.00 0.00 O ATOM 0 H ASP A 32 -12.438 5.768 3.185 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.275 5.010 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.384 7.140 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.707 7.504 1.997 1.00 0.00 H new ATOM 497 N ASP A 33 -11.252 5.522 0.069 1.00 0.00 N ATOM 498 CA ASP A 33 -10.325 5.449 -1.054 1.00 0.00 C ATOM 499 C ASP A 33 -10.300 4.021 -1.619 1.00 0.00 C ATOM 500 O ASP A 33 -10.450 3.821 -2.822 1.00 0.00 O ATOM 501 CB ASP A 33 -8.943 5.911 -0.548 1.00 0.00 C ATOM 502 CG ASP A 33 -8.056 6.590 -1.583 1.00 0.00 C ATOM 503 OD1 ASP A 33 -8.213 6.367 -2.802 1.00 0.00 O ATOM 504 OD2 ASP A 33 -7.158 7.342 -1.137 1.00 0.00 O ATOM 0 H ASP A 33 -10.774 5.700 0.952 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.635 6.099 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.092 6.599 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.412 5.045 -0.153 1.00 0.00 H new ATOM 509 N TRP A 34 -10.183 2.993 -0.760 1.00 0.00 N ATOM 510 CA TRP A 34 -10.227 1.586 -1.171 1.00 0.00 C ATOM 511 C TRP A 34 -11.574 1.250 -1.801 1.00 0.00 C ATOM 512 O TRP A 34 -11.604 0.526 -2.799 1.00 0.00 O ATOM 513 CB TRP A 34 -9.951 0.647 0.016 1.00 0.00 C ATOM 514 CG TRP A 34 -9.948 -0.825 -0.257 1.00 0.00 C ATOM 515 CD1 TRP A 34 -11.028 -1.639 -0.315 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.790 -1.674 -0.509 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.617 -2.917 -0.641 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.249 -2.991 -0.793 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.399 -1.444 -0.583 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.371 -4.018 -1.161 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.506 -2.473 -0.936 1.00 0.00 C ATOM 522 CH2 TRP A 34 -6.993 -3.759 -1.230 1.00 0.00 C ATOM 0 H TRP A 34 -10.055 3.120 0.244 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.443 1.436 -1.913 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.982 0.913 0.438 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.699 0.846 0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.049 -1.337 -0.135 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.249 -3.709 -0.755 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.013 -0.459 -0.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.751 -5.002 -1.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.445 -2.275 -0.981 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.308 -4.546 -1.508 1.00 0.00 H new ATOM 533 N GLN A 35 -12.682 1.749 -1.238 1.00 0.00 N ATOM 534 CA GLN A 35 -13.999 1.567 -1.829 1.00 0.00 C ATOM 535 C GLN A 35 -14.015 2.176 -3.230 1.00 0.00 C ATOM 536 O GLN A 35 -14.272 1.451 -4.195 1.00 0.00 O ATOM 537 CB GLN A 35 -15.095 2.114 -0.903 1.00 0.00 C ATOM 538 CG GLN A 35 -15.158 1.347 0.432 1.00 0.00 C ATOM 539 CD GLN A 35 -15.664 -0.096 0.293 1.00 0.00 C ATOM 540 OE1 GLN A 35 -14.964 -0.975 -0.207 1.00 0.00 O ATOM 541 NE2 GLN A 35 -16.875 -0.404 0.725 1.00 0.00 N ATOM 0 H GLN A 35 -12.684 2.284 -0.369 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.217 0.505 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.910 3.170 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -16.060 2.048 -1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.164 1.332 0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.809 1.886 1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.466 0.315 1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.218 -1.361 0.642 1.00 0.00 H new ATOM 550 N ARG A 36 -13.653 3.455 -3.354 1.00 0.00 N ATOM 551 CA ARG A 36 -13.611 4.167 -4.630 1.00 0.00 C ATOM 552 C ARG A 36 -12.711 3.479 -5.650 1.00 0.00 C ATOM 553 O ARG A 36 -13.081 3.467 -6.819 1.00 0.00 O ATOM 554 CB ARG A 36 -13.210 5.632 -4.409 1.00 0.00 C ATOM 555 CG ARG A 36 -14.385 6.409 -3.796 1.00 0.00 C ATOM 556 CD ARG A 36 -13.958 7.702 -3.117 1.00 0.00 C ATOM 557 NE ARG A 36 -13.650 8.793 -4.059 1.00 0.00 N ATOM 558 CZ ARG A 36 -13.125 9.962 -3.682 1.00 0.00 C ATOM 559 NH1 ARG A 36 -12.838 10.167 -2.405 1.00 0.00 N ATOM 560 NH2 ARG A 36 -12.867 10.923 -4.562 1.00 0.00 N ATOM 0 H ARG A 36 -13.377 4.032 -2.559 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.615 4.147 -5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.344 5.685 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.918 6.085 -5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.108 6.639 -4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.892 5.775 -3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.751 8.028 -2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.080 7.506 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.848 8.648 -5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.018 9.435 -1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.437 11.057 -2.109 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.070 10.777 -5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.466 11.807 -4.249 1.00 0.00 H new ATOM 574 N PHE A 37 -11.605 2.848 -5.243 1.00 0.00 N ATOM 575 CA PHE A 37 -10.729 2.119 -6.153 1.00 0.00 C ATOM 576 C PHE A 37 -11.521 1.082 -6.954 1.00 0.00 C ATOM 577 O PHE A 37 -11.707 1.269 -8.148 1.00 0.00 O ATOM 578 CB PHE A 37 -9.538 1.495 -5.408 1.00 0.00 C ATOM 579 CG PHE A 37 -8.554 0.805 -6.337 1.00 0.00 C ATOM 580 CD1 PHE A 37 -7.517 1.546 -6.930 1.00 0.00 C ATOM 581 CD2 PHE A 37 -8.690 -0.565 -6.644 1.00 0.00 C ATOM 582 CE1 PHE A 37 -6.658 0.936 -7.861 1.00 0.00 C ATOM 583 CE2 PHE A 37 -7.818 -1.181 -7.557 1.00 0.00 C ATOM 584 CZ PHE A 37 -6.809 -0.424 -8.177 1.00 0.00 C ATOM 0 H PHE A 37 -11.295 2.831 -4.271 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.311 2.830 -6.866 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.018 2.273 -4.849 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.909 0.774 -4.680 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.380 2.585 -6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.470 -1.145 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.879 1.515 -8.335 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.923 -2.232 -7.782 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.150 -0.888 -8.896 1.00 0.00 H new ATOM 594 N CYS A 38 -12.036 0.011 -6.339 1.00 0.00 N ATOM 595 CA CYS A 38 -12.774 -1.024 -7.076 1.00 0.00 C ATOM 596 C CYS A 38 -14.169 -0.525 -7.496 1.00 0.00 C ATOM 597 O CYS A 38 -14.833 -1.197 -8.287 1.00 0.00 O ATOM 598 CB CYS A 38 -12.851 -2.312 -6.238 1.00 0.00 C ATOM 599 SG CYS A 38 -12.698 -3.794 -7.275 1.00 0.00 S ATOM 0 H CYS A 38 -11.956 -0.162 -5.337 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.235 -1.251 -7.996 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.059 -2.308 -5.489 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.798 -2.340 -5.699 1.00 0.00 H new ATOM 0 HG CYS A 38 -12.766 -4.856 -6.528 1.00 0.00 H new ATOM 605 N ALA A 39 -14.639 0.627 -7.008 1.00 0.00 N ATOM 606 CA ALA A 39 -15.812 1.269 -7.582 1.00 0.00 C ATOM 607 C ALA A 39 -15.489 1.785 -8.989 1.00 0.00 C ATOM 608 O ALA A 39 -16.271 1.553 -9.913 1.00 0.00 O ATOM 609 CB ALA A 39 -16.312 2.397 -6.682 1.00 0.00 C ATOM 0 H ALA A 39 -14.224 1.127 -6.222 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.612 0.533 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.189 2.861 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.577 1.993 -5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.527 3.144 -6.564 1.00 0.00 H new ATOM 615 N ASP A 40 -14.345 2.454 -9.186 1.00 0.00 N ATOM 616 CA ASP A 40 -14.051 3.182 -10.427 1.00 0.00 C ATOM 617 C ASP A 40 -13.045 2.494 -11.340 1.00 0.00 C ATOM 618 O ASP A 40 -12.995 2.754 -12.539 1.00 0.00 O ATOM 619 CB ASP A 40 -13.614 4.629 -10.112 1.00 0.00 C ATOM 620 CG ASP A 40 -14.581 5.668 -10.678 1.00 0.00 C ATOM 621 OD1 ASP A 40 -15.813 5.424 -10.703 1.00 0.00 O ATOM 622 OD2 ASP A 40 -14.144 6.787 -11.031 1.00 0.00 O ATOM 0 H ASP A 40 -13.600 2.506 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.984 3.195 -10.991 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.540 4.756 -9.032 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.619 4.802 -10.522 1.00 0.00 H new ATOM 627 N SER A 41 -12.325 1.535 -10.790 1.00 0.00 N ATOM 628 CA SER A 41 -11.150 0.877 -11.334 1.00 0.00 C ATOM 629 C SER A 41 -11.109 -0.535 -10.740 1.00 0.00 C ATOM 630 O SER A 41 -10.369 -0.807 -9.790 1.00 0.00 O ATOM 631 CB SER A 41 -9.916 1.734 -10.983 1.00 0.00 C ATOM 632 OG SER A 41 -8.691 1.042 -11.160 1.00 0.00 O ATOM 0 H SER A 41 -12.568 1.164 -9.872 1.00 0.00 H new ATOM 0 HA SER A 41 -11.169 0.781 -12.420 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.914 2.629 -11.605 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.993 2.065 -9.947 1.00 0.00 H new ATOM 0 HG SER A 41 -7.945 1.632 -10.925 1.00 0.00 H new ATOM 638 N LYS A 42 -11.887 -1.466 -11.299 1.00 0.00 N ATOM 639 CA LYS A 42 -11.843 -2.884 -10.935 1.00 0.00 C ATOM 640 C LYS A 42 -10.603 -3.542 -11.549 1.00 0.00 C ATOM 641 O LYS A 42 -10.698 -4.491 -12.328 1.00 0.00 O ATOM 642 CB LYS A 42 -13.121 -3.621 -11.356 1.00 0.00 C ATOM 643 CG LYS A 42 -14.401 -3.063 -10.739 1.00 0.00 C ATOM 644 CD LYS A 42 -15.597 -3.990 -10.999 1.00 0.00 C ATOM 645 CE LYS A 42 -16.942 -3.338 -10.660 1.00 0.00 C ATOM 646 NZ LYS A 42 -17.301 -2.267 -11.614 1.00 0.00 N ATOM 0 H LYS A 42 -12.572 -1.254 -12.024 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.780 -2.953 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.208 -3.582 -12.442 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.027 -4.672 -11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.264 -2.936 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.607 -2.076 -11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.598 -4.288 -12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.481 -4.899 -10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.723 -4.099 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.900 -2.925 -9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.279 -1.960 -11.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.657 -1.460 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.219 -2.627 -12.586 1.00 0.00 H new ATOM 660 N HIS A 43 -9.433 -3.036 -11.188 1.00 0.00 N ATOM 661 CA HIS A 43 -8.136 -3.575 -11.535 1.00 0.00 C ATOM 662 C HIS A 43 -8.066 -5.035 -11.068 1.00 0.00 C ATOM 663 O HIS A 43 -8.715 -5.429 -10.094 1.00 0.00 O ATOM 664 CB HIS A 43 -7.075 -2.700 -10.856 1.00 0.00 C ATOM 665 CG HIS A 43 -5.746 -2.609 -11.560 1.00 0.00 C ATOM 666 ND1 HIS A 43 -5.151 -1.434 -11.965 1.00 0.00 N ATOM 667 CD2 HIS A 43 -4.852 -3.624 -11.784 1.00 0.00 C ATOM 668 CE1 HIS A 43 -3.917 -1.732 -12.395 1.00 0.00 C ATOM 669 NE2 HIS A 43 -3.694 -3.054 -12.315 1.00 0.00 N ATOM 0 H HIS A 43 -9.365 -2.195 -10.615 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.963 -3.566 -12.611 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.477 -1.693 -10.749 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.906 -3.084 -9.850 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.014 -4.673 -11.586 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.201 -1.009 -12.756 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.844 -3.546 -12.589 1.00 0.00 H new ATOM 677 N LEU A 44 -7.290 -5.855 -11.766 1.00 0.00 N ATOM 678 CA LEU A 44 -6.997 -7.236 -11.431 1.00 0.00 C ATOM 679 C LEU A 44 -6.401 -7.300 -10.016 1.00 0.00 C ATOM 680 O LEU A 44 -5.464 -6.553 -9.721 1.00 0.00 O ATOM 681 CB LEU A 44 -6.056 -7.792 -12.513 1.00 0.00 C ATOM 682 CG LEU A 44 -6.440 -9.223 -12.920 1.00 0.00 C ATOM 683 CD1 LEU A 44 -5.650 -9.636 -14.151 1.00 0.00 C ATOM 684 CD2 LEU A 44 -6.131 -10.207 -11.804 1.00 0.00 C ATOM 0 H LEU A 44 -6.826 -5.556 -12.624 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.895 -7.854 -11.416 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.086 -7.144 -13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.031 -7.782 -12.144 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.510 -9.236 -13.128 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.925 -10.651 -14.436 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.874 -8.955 -14.972 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.584 -9.598 -13.929 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.412 -11.212 -12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.064 -10.181 -11.581 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.695 -9.934 -10.912 1.00 0.00 H new ATOM 696 N LEU A 45 -6.922 -8.164 -9.142 1.00 0.00 N ATOM 697 CA LEU A 45 -6.423 -8.397 -7.781 1.00 0.00 C ATOM 698 C LEU A 45 -5.986 -9.853 -7.676 1.00 0.00 C ATOM 699 O LEU A 45 -6.639 -10.732 -8.249 1.00 0.00 O ATOM 700 CB LEU A 45 -7.513 -8.086 -6.742 1.00 0.00 C ATOM 701 CG LEU A 45 -7.882 -6.590 -6.675 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.257 -6.424 -6.019 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.822 -5.765 -5.923 1.00 0.00 C ATOM 0 H LEU A 45 -7.731 -8.742 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.579 -7.738 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.407 -8.663 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.173 -8.414 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.918 -6.209 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.513 -5.366 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.007 -6.954 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.230 -6.834 -5.009 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.124 -4.718 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.728 -6.137 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.862 -5.855 -6.432 1.00 0.00 H new ATOM 715 N GLN A 46 -4.868 -10.127 -7.006 1.00 0.00 N ATOM 716 CA GLN A 46 -4.191 -11.416 -7.060 1.00 0.00 C ATOM 717 C GLN A 46 -3.575 -11.754 -5.714 1.00 0.00 C ATOM 718 O GLN A 46 -3.130 -10.884 -4.967 1.00 0.00 O ATOM 719 CB GLN A 46 -3.068 -11.376 -8.106 1.00 0.00 C ATOM 720 CG GLN A 46 -3.599 -11.023 -9.496 1.00 0.00 C ATOM 721 CD GLN A 46 -2.498 -10.890 -10.532 1.00 0.00 C ATOM 722 OE1 GLN A 46 -2.506 -11.579 -11.546 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.576 -9.961 -10.326 1.00 0.00 N ATOM 0 H GLN A 46 -4.403 -9.449 -6.403 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.930 -12.172 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.318 -10.644 -7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.570 -12.345 -8.142 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.302 -11.792 -9.817 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.154 -10.086 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.596 -9.403 -9.472 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.847 -9.803 -11.021 1.00 0.00 H new ATOM 732 N TYR A 47 -3.491 -13.050 -5.444 1.00 0.00 N ATOM 733 CA TYR A 47 -2.807 -13.553 -4.269 1.00 0.00 C ATOM 734 C TYR A 47 -1.348 -13.139 -4.391 1.00 0.00 C ATOM 735 O TYR A 47 -0.724 -13.329 -5.446 1.00 0.00 O ATOM 736 CB TYR A 47 -2.986 -15.069 -4.143 1.00 0.00 C ATOM 737 CG TYR A 47 -4.387 -15.570 -4.450 1.00 0.00 C ATOM 738 CD1 TYR A 47 -5.526 -14.875 -3.995 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.546 -16.718 -5.244 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.813 -15.280 -4.387 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.827 -17.162 -5.591 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.966 -16.431 -5.193 1.00 0.00 C ATOM 743 OH TYR A 47 -8.201 -16.873 -5.536 1.00 0.00 O ATOM 0 H TYR A 47 -3.895 -13.777 -6.034 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.226 -13.134 -3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.283 -15.561 -4.815 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.721 -15.370 -3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.408 -14.024 -3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.677 -17.260 -5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.679 -14.716 -4.075 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.944 -18.069 -6.166 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.118 -17.675 -6.093 1.00 0.00 H new ATOM 753 N GLY A 48 -0.827 -12.546 -3.323 1.00 0.00 N ATOM 754 CA GLY A 48 0.528 -12.030 -3.291 1.00 0.00 C ATOM 755 C GLY A 48 0.630 -10.519 -3.489 1.00 0.00 C ATOM 756 O GLY A 48 1.747 -10.016 -3.591 1.00 0.00 O ATOM 0 H GLY A 48 -1.340 -12.411 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.981 -12.291 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.112 -12.526 -4.066 1.00 0.00 H new ATOM 760 N ASP A 49 -0.491 -9.790 -3.552 1.00 0.00 N ATOM 761 CA ASP A 49 -0.523 -8.394 -4.015 1.00 0.00 C ATOM 762 C ASP A 49 0.001 -7.349 -3.026 1.00 0.00 C ATOM 763 O ASP A 49 0.126 -6.188 -3.397 1.00 0.00 O ATOM 764 CB ASP A 49 -1.959 -8.010 -4.395 1.00 0.00 C ATOM 765 CG ASP A 49 -2.251 -8.051 -5.891 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.333 -8.241 -6.724 1.00 0.00 O ATOM 767 OD2 ASP A 49 -3.426 -7.804 -6.250 1.00 0.00 O ATOM 0 H ASP A 49 -1.406 -10.152 -3.283 1.00 0.00 H new ATOM 0 HA ASP A 49 0.159 -8.375 -4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.648 -8.683 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.162 -7.005 -4.026 1.00 0.00 H new ATOM 772 N LYS A 50 0.305 -7.773 -1.798 1.00 0.00 N ATOM 773 CA LYS A 50 0.938 -7.064 -0.680 1.00 0.00 C ATOM 774 C LYS A 50 0.304 -5.730 -0.262 1.00 0.00 C ATOM 775 O LYS A 50 0.126 -4.816 -1.063 1.00 0.00 O ATOM 776 CB LYS A 50 2.424 -6.842 -0.969 1.00 0.00 C ATOM 777 CG LYS A 50 3.285 -6.926 0.305 1.00 0.00 C ATOM 778 CD LYS A 50 4.750 -6.644 -0.040 1.00 0.00 C ATOM 779 CE LYS A 50 5.382 -7.852 -0.749 1.00 0.00 C ATOM 780 NZ LYS A 50 6.617 -7.477 -1.459 1.00 0.00 N ATOM 0 H LYS A 50 0.089 -8.733 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 50 0.779 -7.729 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.768 -7.587 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.560 -5.865 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.930 -6.206 1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.191 -7.915 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.815 -5.765 -0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.306 -6.418 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.603 -8.629 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.668 -8.274 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.017 -8.316 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.400 -6.753 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.307 -7.097 -0.779 1.00 0.00 H new ATOM 794 N LEU A 51 0.061 -5.575 1.038 1.00 0.00 N ATOM 795 CA LEU A 51 -0.447 -4.339 1.628 1.00 0.00 C ATOM 796 C LEU A 51 0.539 -3.862 2.683 1.00 0.00 C ATOM 797 O LEU A 51 1.239 -4.685 3.276 1.00 0.00 O ATOM 798 CB LEU A 51 -1.819 -4.617 2.272 1.00 0.00 C ATOM 799 CG LEU A 51 -2.878 -3.497 2.248 1.00 0.00 C ATOM 800 CD1 LEU A 51 -3.018 -2.724 0.937 1.00 0.00 C ATOM 801 CD2 LEU A 51 -4.240 -4.153 2.518 1.00 0.00 C ATOM 0 H LEU A 51 0.214 -6.317 1.721 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.561 -3.570 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.247 -5.490 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.648 -4.891 3.313 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.552 -2.772 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.792 -1.964 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.070 -2.244 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.292 -3.412 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.019 -3.391 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.447 -4.893 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.222 -4.642 3.492 1.00 0.00 H new ATOM 813 N VAL A 52 0.544 -2.562 2.953 1.00 0.00 N ATOM 814 CA VAL A 52 1.321 -1.894 3.985 1.00 0.00 C ATOM 815 C VAL A 52 0.401 -0.862 4.640 1.00 0.00 C ATOM 816 O VAL A 52 -0.282 -0.140 3.919 1.00 0.00 O ATOM 817 CB VAL A 52 2.540 -1.233 3.320 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.217 -0.250 4.275 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.544 -2.274 2.814 1.00 0.00 C ATOM 0 H VAL A 52 -0.031 -1.907 2.423 1.00 0.00 H new ATOM 0 HA VAL A 52 1.687 -2.582 4.747 1.00 0.00 H new ATOM 0 HB VAL A 52 2.176 -0.678 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.076 0.204 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.508 0.528 4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.550 -0.780 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.391 -1.768 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.896 -2.877 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.061 -2.919 2.080 1.00 0.00 H new ATOM 829 N ASP A 53 0.332 -0.814 5.978 1.00 0.00 N ATOM 830 CA ASP A 53 -0.481 0.135 6.758 1.00 0.00 C ATOM 831 C ASP A 53 0.355 1.227 7.459 1.00 0.00 C ATOM 832 O ASP A 53 1.587 1.259 7.349 1.00 0.00 O ATOM 833 CB ASP A 53 -1.389 -0.623 7.755 1.00 0.00 C ATOM 834 CG ASP A 53 -0.858 -0.748 9.183 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.369 -0.865 9.355 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.673 -0.757 10.132 1.00 0.00 O ATOM 0 H ASP A 53 0.859 -1.457 6.569 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.113 0.668 6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.355 -0.120 7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.566 -1.625 7.365 1.00 0.00 H new ATOM 841 N SER A 54 -0.331 2.105 8.206 1.00 0.00 N ATOM 842 CA SER A 54 0.188 3.210 9.020 1.00 0.00 C ATOM 843 C SER A 54 1.218 2.804 10.094 1.00 0.00 C ATOM 844 O SER A 54 1.873 3.670 10.683 1.00 0.00 O ATOM 845 CB SER A 54 -1.026 3.851 9.708 1.00 0.00 C ATOM 846 OG SER A 54 -0.688 5.105 10.262 1.00 0.00 O ATOM 0 H SER A 54 -1.348 2.054 8.259 1.00 0.00 H new ATOM 0 HA SER A 54 0.726 3.886 8.355 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.835 3.973 8.987 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.395 3.190 10.492 1.00 0.00 H new ATOM 0 HG SER A 54 0.263 5.112 10.499 1.00 0.00 H new ATOM 852 N ASN A 55 1.345 1.516 10.396 1.00 0.00 N ATOM 853 CA ASN A 55 2.160 0.944 11.463 1.00 0.00 C ATOM 854 C ASN A 55 3.149 -0.053 10.876 1.00 0.00 C ATOM 855 O ASN A 55 3.765 -0.810 11.631 1.00 0.00 O ATOM 856 CB ASN A 55 1.280 0.208 12.470 1.00 0.00 C ATOM 857 CG ASN A 55 0.162 1.044 13.001 1.00 0.00 C ATOM 858 OD1 ASN A 55 0.342 1.914 13.844 1.00 0.00 O ATOM 859 ND2 ASN A 55 -1.032 0.807 12.518 1.00 0.00 N ATOM 0 H ASN A 55 0.850 0.797 9.868 1.00 0.00 H new ATOM 0 HA ASN A 55 2.689 1.756 11.961 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.866 -0.682 11.997 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.897 -0.131 13.302 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.831 1.351 12.843 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.163 0.078 11.816 1.00 0.00 H new ATOM 866 N PHE A 56 3.291 -0.063 9.545 1.00 0.00 N ATOM 867 CA PHE A 56 4.175 -0.930 8.791 1.00 0.00 C ATOM 868 C PHE A 56 3.713 -2.395 8.893 1.00 0.00 C ATOM 869 O PHE A 56 4.492 -3.281 8.550 1.00 0.00 O ATOM 870 CB PHE A 56 5.654 -0.718 9.196 1.00 0.00 C ATOM 871 CG PHE A 56 6.277 0.640 8.885 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.692 1.852 9.311 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.465 0.692 8.130 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.224 3.084 8.899 1.00 0.00 C ATOM 875 CE2 PHE A 56 7.988 1.925 7.711 1.00 0.00 C ATOM 876 CZ PHE A 56 7.361 3.124 8.080 1.00 0.00 C ATOM 0 H PHE A 56 2.762 0.569 8.944 1.00 0.00 H new ATOM 0 HA PHE A 56 4.118 -0.661 7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.738 -0.890 10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.252 -1.484 8.703 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.828 1.831 9.959 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.977 -0.223 7.872 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.755 4.005 9.214 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.879 1.951 7.101 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.751 4.071 7.736 1.00 0.00 H new ATOM 886 N HIS A 57 2.476 -2.687 9.316 1.00 0.00 N ATOM 887 CA HIS A 57 1.884 -4.016 9.212 1.00 0.00 C ATOM 888 C HIS A 57 1.811 -4.386 7.730 1.00 0.00 C ATOM 889 O HIS A 57 1.025 -3.799 6.972 1.00 0.00 O ATOM 890 CB HIS A 57 0.489 -4.072 9.842 1.00 0.00 C ATOM 891 CG HIS A 57 0.368 -3.614 11.269 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.632 -2.797 11.739 1.00 0.00 N ATOM 893 CD2 HIS A 57 1.187 -3.923 12.321 1.00 0.00 C ATOM 894 CE1 HIS A 57 -0.430 -2.614 13.047 1.00 0.00 C ATOM 895 NE2 HIS A 57 0.646 -3.309 13.459 1.00 0.00 N ATOM 0 H HIS A 57 1.857 -1.997 9.743 1.00 0.00 H new ATOM 0 HA HIS A 57 2.505 -4.726 9.758 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.183 -3.467 9.233 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.132 -5.100 9.784 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.393 -2.401 11.187 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.082 -4.526 12.282 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.044 -1.995 13.684 1.00 0.00 H new ATOM 903 N CYS A 58 2.659 -5.328 7.315 1.00 0.00 N ATOM 904 CA CYS A 58 2.616 -5.878 5.979 1.00 0.00 C ATOM 905 C CYS A 58 1.535 -6.960 5.961 1.00 0.00 C ATOM 906 O CYS A 58 1.322 -7.661 6.956 1.00 0.00 O ATOM 907 CB CYS A 58 3.997 -6.446 5.604 1.00 0.00 C ATOM 908 SG CYS A 58 4.465 -5.903 3.938 1.00 0.00 S ATOM 0 H CYS A 58 3.392 -5.725 7.903 1.00 0.00 H new ATOM 0 HA CYS A 58 2.374 -5.112 5.242 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.743 -6.114 6.326 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.974 -7.535 5.647 1.00 0.00 H new ATOM 0 HG CYS A 58 3.432 -5.383 3.345 1.00 0.00 H new ATOM 914 N PHE A 59 0.891 -7.157 4.814 1.00 0.00 N ATOM 915 CA PHE A 59 -0.025 -8.268 4.587 1.00 0.00 C ATOM 916 C PHE A 59 0.211 -8.824 3.193 1.00 0.00 C ATOM 917 O PHE A 59 0.788 -8.149 2.343 1.00 0.00 O ATOM 918 CB PHE A 59 -1.497 -7.843 4.745 1.00 0.00 C ATOM 919 CG PHE A 59 -1.857 -7.272 6.102 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.571 -5.928 6.353 1.00 0.00 C ATOM 921 CD2 PHE A 59 -2.396 -8.059 7.132 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.788 -5.365 7.618 1.00 0.00 C ATOM 923 CE2 PHE A 59 -2.521 -7.525 8.427 1.00 0.00 C ATOM 924 CZ PHE A 59 -2.220 -6.175 8.676 1.00 0.00 C ATOM 0 H PHE A 59 0.993 -6.541 4.007 1.00 0.00 H new ATOM 0 HA PHE A 59 0.171 -9.033 5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.729 -7.100 3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.132 -8.708 4.551 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.176 -5.312 5.559 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.714 -9.071 6.931 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.623 -4.310 7.777 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.851 -8.158 9.237 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.321 -5.767 9.671 1.00 0.00 H new ATOM 934 N VAL A 60 -0.302 -10.020 2.938 1.00 0.00 N ATOM 935 CA VAL A 60 -0.365 -10.716 1.662 1.00 0.00 C ATOM 936 C VAL A 60 -1.793 -11.249 1.530 1.00 0.00 C ATOM 937 O VAL A 60 -2.366 -11.697 2.520 1.00 0.00 O ATOM 938 CB VAL A 60 0.707 -11.827 1.654 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.484 -12.852 0.539 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.106 -11.213 1.457 1.00 0.00 C ATOM 0 H VAL A 60 -0.721 -10.575 3.684 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.152 -10.074 0.807 1.00 0.00 H new ATOM 0 HB VAL A 60 0.630 -12.334 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.266 -13.610 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.488 -13.327 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.515 -12.350 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.854 -12.006 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.138 -10.679 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.317 -10.519 2.271 1.00 0.00 H new ATOM 950 N LEU A 61 -2.379 -11.154 0.335 1.00 0.00 N ATOM 951 CA LEU A 61 -3.656 -11.780 0.006 1.00 0.00 C ATOM 952 C LEU A 61 -3.379 -13.250 -0.299 1.00 0.00 C ATOM 953 O LEU A 61 -2.427 -13.521 -1.038 1.00 0.00 O ATOM 954 CB LEU A 61 -4.271 -11.095 -1.229 1.00 0.00 C ATOM 955 CG LEU A 61 -5.693 -11.613 -1.543 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.767 -11.024 -0.622 1.00 0.00 C ATOM 957 CD2 LEU A 61 -6.064 -11.295 -2.991 1.00 0.00 C ATOM 0 H LEU A 61 -1.972 -10.632 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.358 -11.685 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.308 -10.018 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.627 -11.263 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.666 -12.690 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.742 -11.428 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.543 -11.285 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.781 -9.939 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.068 -11.665 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.036 -10.216 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.353 -11.776 -3.663 1.00 0.00 H new ATOM 969 N GLU A 62 -4.215 -14.165 0.193 1.00 0.00 N ATOM 970 CA GLU A 62 -4.142 -15.594 -0.104 1.00 0.00 C ATOM 971 C GLU A 62 -5.458 -16.078 -0.726 1.00 0.00 C ATOM 972 O GLU A 62 -6.460 -15.360 -0.747 1.00 0.00 O ATOM 973 CB GLU A 62 -3.781 -16.399 1.159 1.00 0.00 C ATOM 974 CG GLU A 62 -2.401 -16.011 1.721 1.00 0.00 C ATOM 975 CD GLU A 62 -1.743 -17.078 2.609 1.00 0.00 C ATOM 976 OE1 GLU A 62 -2.039 -18.291 2.485 1.00 0.00 O ATOM 977 OE2 GLU A 62 -0.836 -16.717 3.401 1.00 0.00 O ATOM 0 H GLU A 62 -4.980 -13.926 0.824 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.348 -15.759 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.542 -16.235 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.790 -17.463 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.734 -15.791 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.505 -15.092 2.298 1.00 0.00 H new ATOM 984 N GLU A 63 -5.457 -17.320 -1.216 1.00 0.00 N ATOM 985 CA GLU A 63 -6.532 -17.925 -2.015 1.00 0.00 C ATOM 986 C GLU A 63 -7.806 -18.116 -1.186 1.00 0.00 C ATOM 987 O GLU A 63 -8.890 -18.285 -1.738 1.00 0.00 O ATOM 988 CB GLU A 63 -6.158 -19.293 -2.644 1.00 0.00 C ATOM 989 CG GLU A 63 -4.672 -19.610 -2.876 1.00 0.00 C ATOM 990 CD GLU A 63 -3.911 -19.699 -1.551 1.00 0.00 C ATOM 991 OE1 GLU A 63 -4.379 -20.381 -0.612 1.00 0.00 O ATOM 992 OE2 GLU A 63 -2.951 -18.917 -1.383 1.00 0.00 O ATOM 0 H GLU A 63 -4.677 -17.959 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.700 -17.216 -2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.568 -20.075 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.667 -19.367 -3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.579 -20.552 -3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.226 -18.838 -3.503 1.00 0.00 H new ATOM 999 N ASP A 64 -7.692 -18.096 0.145 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.820 -18.100 1.085 1.00 0.00 C ATOM 1001 C ASP A 64 -9.455 -16.696 1.192 1.00 0.00 C ATOM 1002 O ASP A 64 -10.171 -16.399 2.143 1.00 0.00 O ATOM 1003 CB ASP A 64 -8.326 -18.640 2.438 1.00 0.00 C ATOM 1004 CG ASP A 64 -9.440 -18.855 3.470 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -10.537 -19.325 3.096 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -9.218 -18.592 4.675 1.00 0.00 O ATOM 0 H ASP A 64 -6.786 -18.076 0.613 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.613 -18.755 0.724 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.810 -19.586 2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.594 -17.945 2.849 1.00 0.00 H new ATOM 1011 N ALA A 65 -9.164 -15.804 0.233 1.00 0.00 N ATOM 1012 CA ALA A 65 -9.661 -14.440 0.041 1.00 0.00 C ATOM 1013 C ALA A 65 -9.338 -13.470 1.176 1.00 0.00 C ATOM 1014 O ALA A 65 -9.752 -12.303 1.122 1.00 0.00 O ATOM 1015 CB ALA A 65 -11.163 -14.461 -0.240 1.00 0.00 C ATOM 0 H ALA A 65 -8.504 -16.051 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.121 -14.052 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.521 -13.441 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.356 -15.041 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.684 -14.915 0.602 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.634 -13.934 2.203 1.00 0.00 N ATOM 1022 CA HIS A 66 -8.189 -13.105 3.289 1.00 0.00 C ATOM 1023 C HIS A 66 -6.881 -12.447 2.911 1.00 0.00 C ATOM 1024 O HIS A 66 -6.097 -12.970 2.117 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.149 -13.870 4.613 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.209 -15.040 4.698 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -7.532 -16.311 5.108 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -5.868 -15.019 4.443 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -6.414 -17.051 5.079 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -5.365 -16.294 4.715 1.00 0.00 N ATOM 0 H HIS A 66 -8.359 -14.912 2.294 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.911 -12.308 3.463 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.886 -13.166 5.403 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.156 -14.228 4.828 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.459 -16.635 5.385 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.299 -14.170 4.094 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.364 -18.104 5.314 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.624 -11.330 3.572 1.00 0.00 N ATOM 1039 CA TRP A 67 -5.283 -10.860 3.789 1.00 0.00 C ATOM 1040 C TRP A 67 -4.802 -11.612 5.024 1.00 0.00 C ATOM 1041 O TRP A 67 -5.596 -11.854 5.942 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.328 -9.341 3.962 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.606 -8.627 2.674 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.819 -8.372 2.134 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.642 -8.204 1.673 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.665 -7.787 0.891 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.332 -7.691 0.538 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.242 -8.270 1.604 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.647 -7.270 -0.617 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.543 -7.849 0.466 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.242 -7.353 -0.649 1.00 0.00 C ATOM 0 H TRP A 67 -7.346 -10.730 3.970 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.593 -11.044 2.965 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -6.097 -9.084 4.690 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.377 -8.996 4.368 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.766 -8.592 2.603 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.438 -7.466 0.308 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.690 -8.655 2.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.192 -6.888 -1.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.465 -7.905 0.445 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.702 -7.036 -1.529 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.534 -12.002 5.050 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.882 -12.569 6.214 1.00 0.00 C ATOM 1064 C HIS A 68 -1.796 -11.574 6.662 1.00 0.00 C ATOM 1065 O HIS A 68 -1.168 -10.954 5.799 1.00 0.00 O ATOM 1066 CB HIS A 68 -2.285 -13.941 5.839 1.00 0.00 C ATOM 1067 CG HIS A 68 -1.377 -14.493 6.909 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -1.754 -15.220 8.002 1.00 0.00 N flip ATOM 1069 CD2 HIS A 68 -0.040 -14.219 7.040 1.00 0.00 C flip ATOM 1070 CE1 HIS A 68 -0.650 -15.317 8.859 1.00 0.00 C flip ATOM 1071 NE2 HIS A 68 0.374 -14.739 8.206 1.00 0.00 N flip ATOM 0 H HIS A 68 -2.919 -11.929 4.240 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.581 -12.730 7.035 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.095 -14.647 5.656 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.727 -13.847 4.907 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.571 -13.680 6.331 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.626 -15.764 9.842 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.334 -14.701 8.550 1.00 0.00 H new ATOM 1079 N PRO A 69 -1.545 -11.409 7.977 1.00 0.00 N ATOM 1080 CA PRO A 69 -0.497 -10.545 8.520 1.00 0.00 C ATOM 1081 C PRO A 69 0.890 -11.103 8.209 1.00 0.00 C ATOM 1082 O PRO A 69 1.375 -12.015 8.881 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.767 -10.441 10.027 1.00 0.00 C ATOM 1084 CG PRO A 69 -1.552 -11.713 10.333 1.00 0.00 C ATOM 1085 CD PRO A 69 -2.354 -11.939 9.062 1.00 0.00 C ATOM 0 HA PRO A 69 -0.515 -9.554 8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.160 -10.393 10.599 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.340 -9.546 10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.891 -12.553 10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -2.199 -11.588 11.201 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.559 -12.999 8.914 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.318 -11.432 9.114 1.00 0.00 H new ATOM 1093 N ALA A 70 1.569 -10.514 7.229 1.00 0.00 N ATOM 1094 CA ALA A 70 2.924 -10.855 6.807 1.00 0.00 C ATOM 1095 C ALA A 70 3.988 -10.243 7.742 1.00 0.00 C ATOM 1096 O ALA A 70 5.108 -9.951 7.308 1.00 0.00 O ATOM 1097 CB ALA A 70 3.093 -10.418 5.350 1.00 0.00 C ATOM 0 H ALA A 70 1.171 -9.751 6.682 1.00 0.00 H new ATOM 0 HA ALA A 70 3.075 -11.932 6.874 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.100 -10.663 5.011 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.364 -10.937 4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.935 -9.342 5.272 1.00 0.00 H new ATOM 1103 N ALA A 71 3.629 -10.070 9.023 1.00 0.00 N ATOM 1104 CA ALA A 71 4.377 -9.411 10.087 1.00 0.00 C ATOM 1105 C ALA A 71 4.530 -7.903 9.825 1.00 0.00 C ATOM 1106 O ALA A 71 4.246 -7.418 8.725 1.00 0.00 O ATOM 1107 CB ALA A 71 5.700 -10.167 10.314 1.00 0.00 C ATOM 0 H ALA A 71 2.733 -10.419 9.362 1.00 0.00 H new ATOM 0 HA ALA A 71 3.823 -9.458 11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.266 -9.680 11.109 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.486 -11.197 10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.286 -10.159 9.395 1.00 0.00 H new ATOM 1113 N PRO A 72 4.927 -7.109 10.835 1.00 0.00 N ATOM 1114 CA PRO A 72 5.345 -5.741 10.595 1.00 0.00 C ATOM 1115 C PRO A 72 6.594 -5.700 9.718 1.00 0.00 C ATOM 1116 O PRO A 72 7.241 -6.723 9.472 1.00 0.00 O ATOM 1117 CB PRO A 72 5.587 -5.130 11.972 1.00 0.00 C ATOM 1118 CG PRO A 72 5.919 -6.333 12.847 1.00 0.00 C ATOM 1119 CD PRO A 72 5.010 -7.409 12.256 1.00 0.00 C ATOM 0 HA PRO A 72 4.588 -5.174 10.053 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.406 -4.411 11.953 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.706 -4.601 12.336 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.972 -6.607 12.783 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.701 -6.146 13.899 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.420 -8.405 12.424 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.024 -7.388 12.720 1.00 0.00 H new ATOM 1127 N LEU A 73 6.935 -4.494 9.276 1.00 0.00 N ATOM 1128 CA LEU A 73 8.012 -4.236 8.337 1.00 0.00 C ATOM 1129 C LEU A 73 8.995 -3.241 8.959 1.00 0.00 C ATOM 1130 O LEU A 73 8.556 -2.340 9.684 1.00 0.00 O ATOM 1131 CB LEU A 73 7.395 -3.700 7.028 1.00 0.00 C ATOM 1132 CG LEU A 73 8.295 -3.735 5.782 1.00 0.00 C ATOM 1133 CD1 LEU A 73 8.432 -5.162 5.240 1.00 0.00 C ATOM 1134 CD2 LEU A 73 7.717 -2.862 4.664 1.00 0.00 C ATOM 0 H LEU A 73 6.452 -3.646 9.573 1.00 0.00 H new ATOM 0 HA LEU A 73 8.567 -5.146 8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.494 -4.275 6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.083 -2.669 7.195 1.00 0.00 H new ATOM 0 HG LEU A 73 9.271 -3.357 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.074 -5.157 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.872 -5.801 6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.448 -5.545 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.372 -2.904 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.727 -3.228 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.639 -1.831 5.010 1.00 0.00 H new ATOM 1146 N PRO A 74 10.303 -3.355 8.678 1.00 0.00 N ATOM 1147 CA PRO A 74 11.304 -2.398 9.127 1.00 0.00 C ATOM 1148 C PRO A 74 11.037 -1.001 8.562 1.00 0.00 C ATOM 1149 O PRO A 74 10.440 -0.882 7.485 1.00 0.00 O ATOM 1150 CB PRO A 74 12.645 -2.942 8.617 1.00 0.00 C ATOM 1151 CG PRO A 74 12.267 -3.875 7.479 1.00 0.00 C ATOM 1152 CD PRO A 74 10.955 -4.448 7.982 1.00 0.00 C ATOM 0 HA PRO A 74 11.291 -2.292 10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.295 -2.138 8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.183 -3.472 9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.148 -3.343 6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.017 -4.649 7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.342 -4.811 7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.125 -5.294 8.649 1.00 0.00 H new ATOM 1160 N PRO A 75 11.579 0.053 9.200 1.00 0.00 N ATOM 1161 CA PRO A 75 11.405 1.424 8.740 1.00 0.00 C ATOM 1162 C PRO A 75 11.934 1.634 7.320 1.00 0.00 C ATOM 1163 O PRO A 75 11.437 2.492 6.598 1.00 0.00 O ATOM 1164 CB PRO A 75 12.132 2.306 9.759 1.00 0.00 C ATOM 1165 CG PRO A 75 13.106 1.366 10.466 1.00 0.00 C ATOM 1166 CD PRO A 75 12.387 0.020 10.414 1.00 0.00 C ATOM 0 HA PRO A 75 10.347 1.681 8.680 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.658 3.125 9.269 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.432 2.754 10.465 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.070 1.328 9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.298 1.681 11.492 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.100 -0.804 10.388 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.763 -0.126 11.296 1.00 0.00 H new ATOM 1174 N GLU A 76 12.919 0.840 6.898 1.00 0.00 N ATOM 1175 CA GLU A 76 13.606 1.014 5.623 1.00 0.00 C ATOM 1176 C GLU A 76 13.001 0.112 4.543 1.00 0.00 C ATOM 1177 O GLU A 76 13.257 0.323 3.358 1.00 0.00 O ATOM 1178 CB GLU A 76 15.115 0.778 5.818 1.00 0.00 C ATOM 1179 CG GLU A 76 15.610 1.537 7.060 1.00 0.00 C ATOM 1180 CD GLU A 76 17.109 1.816 7.088 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.610 2.545 6.199 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.761 1.450 8.094 1.00 0.00 O ATOM 0 H GLU A 76 13.265 0.049 7.441 1.00 0.00 H new ATOM 0 HA GLU A 76 13.471 2.037 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.313 -0.288 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.661 1.113 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.078 2.486 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.346 0.963 7.948 1.00 0.00 H new ATOM 1189 N GLY A 77 12.159 -0.847 4.942 1.00 0.00 N ATOM 1190 CA GLY A 77 11.439 -1.725 4.029 1.00 0.00 C ATOM 1191 C GLY A 77 10.318 -0.987 3.300 1.00 0.00 C ATOM 1192 O GLY A 77 10.004 -1.324 2.157 1.00 0.00 O ATOM 0 H GLY A 77 11.959 -1.034 5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.135 -2.141 3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.021 -2.564 4.585 1.00 0.00 H new ATOM 1196 N LEU A 78 9.758 0.059 3.922 1.00 0.00 N ATOM 1197 CA LEU A 78 8.910 1.032 3.239 1.00 0.00 C ATOM 1198 C LEU A 78 9.679 1.549 2.029 1.00 0.00 C ATOM 1199 O LEU A 78 9.247 1.376 0.892 1.00 0.00 O ATOM 1200 CB LEU A 78 8.524 2.165 4.210 1.00 0.00 C ATOM 1201 CG LEU A 78 7.834 3.389 3.568 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.529 3.009 2.856 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.522 4.425 4.652 1.00 0.00 C ATOM 0 H LEU A 78 9.884 0.250 4.916 1.00 0.00 H new ATOM 0 HA LEU A 78 7.979 0.577 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.861 1.756 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.425 2.505 4.720 1.00 0.00 H new ATOM 0 HG LEU A 78 8.518 3.799 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.079 3.901 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.742 2.287 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.838 2.568 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.035 5.289 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.860 3.984 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.449 4.740 5.131 1.00 0.00 H new ATOM 1215 N ASN A 79 10.846 2.139 2.276 1.00 0.00 N ATOM 1216 CA ASN A 79 11.629 2.878 1.297 1.00 0.00 C ATOM 1217 C ASN A 79 12.089 1.990 0.137 1.00 0.00 C ATOM 1218 O ASN A 79 12.410 2.518 -0.924 1.00 0.00 O ATOM 1219 CB ASN A 79 12.828 3.561 1.988 1.00 0.00 C ATOM 1220 CG ASN A 79 12.420 4.552 3.083 1.00 0.00 C ATOM 1221 OD1 ASN A 79 11.359 4.442 3.684 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.241 5.533 3.391 1.00 0.00 N ATOM 0 H ASN A 79 11.285 2.113 3.196 1.00 0.00 H new ATOM 0 HA ASN A 79 10.987 3.646 0.865 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.471 2.796 2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.420 4.085 1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.992 6.195 4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.127 5.631 2.895 1.00 0.00 H new ATOM 1229 N ASP A 80 12.122 0.663 0.292 1.00 0.00 N ATOM 1230 CA ASP A 80 12.389 -0.296 -0.788 1.00 0.00 C ATOM 1231 C ASP A 80 11.169 -0.452 -1.703 1.00 0.00 C ATOM 1232 O ASP A 80 11.288 -0.401 -2.929 1.00 0.00 O ATOM 1233 CB ASP A 80 12.777 -1.652 -0.196 1.00 0.00 C ATOM 1234 CG ASP A 80 13.152 -2.709 -1.242 1.00 0.00 C ATOM 1235 OD1 ASP A 80 13.507 -2.377 -2.398 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.111 -3.906 -0.879 1.00 0.00 O ATOM 0 H ASP A 80 11.960 0.213 1.193 1.00 0.00 H new ATOM 0 HA ASP A 80 13.215 0.087 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.619 -1.513 0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.946 -2.027 0.401 1.00 0.00 H new ATOM 1241 N LEU A 81 9.968 -0.584 -1.133 1.00 0.00 N ATOM 1242 CA LEU A 81 8.735 -0.602 -1.917 1.00 0.00 C ATOM 1243 C LEU A 81 8.568 0.723 -2.664 1.00 0.00 C ATOM 1244 O LEU A 81 8.265 0.708 -3.860 1.00 0.00 O ATOM 1245 CB LEU A 81 7.515 -0.889 -1.027 1.00 0.00 C ATOM 1246 CG LEU A 81 7.347 -2.370 -0.634 1.00 0.00 C ATOM 1247 CD1 LEU A 81 6.240 -2.487 0.420 1.00 0.00 C ATOM 1248 CD2 LEU A 81 6.970 -3.251 -1.834 1.00 0.00 C ATOM 0 H LEU A 81 9.826 -0.680 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 81 8.804 -1.408 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.595 -0.292 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.616 -0.560 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 81 8.304 -2.717 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.116 -3.532 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.512 -1.903 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.304 -2.109 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.863 -4.285 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.027 -2.905 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.752 -3.189 -2.591 1.00 0.00 H new ATOM 1260 N ILE A 82 8.817 1.857 -1.994 1.00 0.00 N ATOM 1261 CA ILE A 82 8.836 3.176 -2.628 1.00 0.00 C ATOM 1262 C ILE A 82 9.858 3.180 -3.772 1.00 0.00 C ATOM 1263 O ILE A 82 9.563 3.708 -4.845 1.00 0.00 O ATOM 1264 CB ILE A 82 9.127 4.307 -1.610 1.00 0.00 C ATOM 1265 CG1 ILE A 82 8.219 4.330 -0.362 1.00 0.00 C ATOM 1266 CG2 ILE A 82 9.065 5.686 -2.284 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.724 4.574 -0.591 1.00 0.00 C ATOM 0 H ILE A 82 9.011 1.882 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 82 7.844 3.375 -3.034 1.00 0.00 H new ATOM 0 HB ILE A 82 10.133 4.082 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.331 3.377 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.589 5.103 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.273 6.461 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.807 5.735 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.071 5.842 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.203 4.565 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.583 5.542 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.321 3.789 -1.230 1.00 0.00 H new ATOM 1279 N ARG A 83 11.039 2.574 -3.592 1.00 0.00 N ATOM 1280 CA ARG A 83 12.101 2.522 -4.593 1.00 0.00 C ATOM 1281 C ARG A 83 11.595 2.049 -5.948 1.00 0.00 C ATOM 1282 O ARG A 83 11.992 2.640 -6.949 1.00 0.00 O ATOM 1283 CB ARG A 83 13.240 1.623 -4.092 1.00 0.00 C ATOM 1284 CG ARG A 83 14.623 2.215 -4.329 1.00 0.00 C ATOM 1285 CD ARG A 83 15.140 1.998 -5.751 1.00 0.00 C ATOM 1286 NE ARG A 83 16.550 2.400 -5.837 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.196 2.871 -6.905 1.00 0.00 C ATOM 1288 NH1 ARG A 83 16.583 2.992 -8.080 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.459 3.239 -6.759 1.00 0.00 N ATOM 0 H ARG A 83 11.284 2.097 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 83 12.475 3.536 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.108 1.441 -3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.176 0.656 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.593 3.284 -4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.326 1.772 -3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.034 0.950 -6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.544 2.577 -6.456 1.00 0.00 H new ATOM 0 HE ARG A 83 17.098 2.309 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.604 2.723 -8.174 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.092 3.354 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.912 3.158 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.980 3.603 -7.557 1.00 0.00 H new ATOM 1303 N ALA A 84 10.744 1.019 -6.001 1.00 0.00 N ATOM 1304 CA ALA A 84 10.244 0.514 -7.273 1.00 0.00 C ATOM 1305 C ALA A 84 9.331 1.542 -7.950 1.00 0.00 C ATOM 1306 O ALA A 84 9.495 1.776 -9.143 1.00 0.00 O ATOM 1307 CB ALA A 84 9.547 -0.838 -7.101 1.00 0.00 C ATOM 0 H ALA A 84 10.392 0.525 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 84 11.099 0.352 -7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.186 -1.187 -8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.253 -1.562 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.705 -0.729 -6.417 1.00 0.00 H new ATOM 1313 N HIS A 85 8.424 2.189 -7.205 1.00 0.00 N ATOM 1314 CA HIS A 85 7.533 3.232 -7.721 1.00 0.00 C ATOM 1315 C HIS A 85 8.391 4.361 -8.295 1.00 0.00 C ATOM 1316 O HIS A 85 8.203 4.783 -9.435 1.00 0.00 O ATOM 1317 CB HIS A 85 6.586 3.697 -6.599 1.00 0.00 C ATOM 1318 CG HIS A 85 5.409 4.584 -6.975 1.00 0.00 C ATOM 1319 ND1 HIS A 85 4.209 4.631 -6.296 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.324 5.515 -7.979 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.404 5.516 -6.906 1.00 0.00 C ATOM 1322 NE2 HIS A 85 4.047 6.082 -7.933 1.00 0.00 N ATOM 0 H HIS A 85 8.288 1.998 -6.212 1.00 0.00 H new ATOM 0 HA HIS A 85 6.901 2.857 -8.526 1.00 0.00 H new ATOM 0 HB2 HIS A 85 6.190 2.808 -6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 85 7.183 4.231 -5.859 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.106 5.766 -8.681 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.389 5.738 -6.611 1.00 0.00 H new ATOM 0 HE2 HIS A 85 3.676 6.793 -8.563 1.00 0.00 H new ATOM 1330 N CYS A 86 9.416 4.779 -7.549 1.00 0.00 N ATOM 1331 CA CYS A 86 10.329 5.784 -8.059 1.00 0.00 C ATOM 1332 C CYS A 86 11.017 5.310 -9.321 1.00 0.00 C ATOM 1333 O CYS A 86 11.160 6.106 -10.239 1.00 0.00 O ATOM 1334 CB CYS A 86 11.434 6.145 -7.066 1.00 0.00 C ATOM 1335 SG CYS A 86 10.846 6.536 -5.406 1.00 0.00 S ATOM 0 H CYS A 86 9.626 4.441 -6.610 1.00 0.00 H new ATOM 0 HA CYS A 86 9.707 6.659 -8.249 1.00 0.00 H new ATOM 0 HB2 CYS A 86 12.135 5.313 -7.003 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.988 7.000 -7.453 1.00 0.00 H new ATOM 0 HG CYS A 86 10.225 5.506 -4.912 1.00 0.00 H new ATOM 1341 N ALA A 87 11.491 4.068 -9.357 1.00 0.00 N ATOM 1342 CA ALA A 87 12.303 3.610 -10.460 1.00 0.00 C ATOM 1343 C ALA A 87 11.486 3.429 -11.739 1.00 0.00 C ATOM 1344 O ALA A 87 12.068 3.582 -12.816 1.00 0.00 O ATOM 1345 CB ALA A 87 13.010 2.307 -10.078 1.00 0.00 C ATOM 0 H ALA A 87 11.323 3.369 -8.634 1.00 0.00 H new ATOM 0 HA ALA A 87 13.049 4.377 -10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.621 1.966 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.646 2.479 -9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.267 1.547 -9.838 1.00 0.00 H new ATOM 1351 N THR A 88 10.181 3.139 -11.664 1.00 0.00 N ATOM 1352 CA THR A 88 9.392 3.016 -12.880 1.00 0.00 C ATOM 1353 C THR A 88 9.216 4.402 -13.497 1.00 0.00 C ATOM 1354 O THR A 88 9.385 4.532 -14.710 1.00 0.00 O ATOM 1355 CB THR A 88 8.097 2.209 -12.659 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.350 2.113 -13.851 1.00 0.00 O ATOM 1357 CG2 THR A 88 7.144 2.699 -11.572 1.00 0.00 C ATOM 0 H THR A 88 9.667 2.990 -10.796 1.00 0.00 H new ATOM 0 HA THR A 88 9.922 2.414 -13.618 1.00 0.00 H new ATOM 0 HB THR A 88 8.485 1.250 -12.317 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.534 1.595 -13.685 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.277 2.041 -11.525 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.656 2.694 -10.610 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.818 3.713 -11.804 1.00 0.00 H new ATOM 1365 N LEU A 89 8.974 5.438 -12.680 1.00 0.00 N ATOM 1366 CA LEU A 89 8.676 6.773 -13.191 1.00 0.00 C ATOM 1367 C LEU A 89 9.982 7.555 -13.370 1.00 0.00 C ATOM 1368 O LEU A 89 10.374 7.876 -14.490 1.00 0.00 O ATOM 1369 CB LEU A 89 7.686 7.484 -12.249 1.00 0.00 C ATOM 1370 CG LEU A 89 6.396 6.692 -11.939 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.483 7.469 -10.998 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.607 6.299 -13.186 1.00 0.00 C ATOM 0 H LEU A 89 8.980 5.371 -11.662 1.00 0.00 H new ATOM 0 HA LEU A 89 8.198 6.706 -14.168 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.195 7.703 -11.310 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.409 8.441 -12.692 1.00 0.00 H new ATOM 0 HG LEU A 89 6.733 5.773 -11.459 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.584 6.885 -10.799 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.005 7.662 -10.061 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.206 8.416 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.715 5.746 -12.893 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.315 7.197 -13.730 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.228 5.673 -13.827 1.00 0.00 H new ATOM 1384 N GLY A 90 10.702 7.816 -12.279 1.00 0.00 N ATOM 1385 CA GLY A 90 12.017 8.449 -12.265 1.00 0.00 C ATOM 1386 C GLY A 90 12.388 9.113 -10.931 1.00 0.00 C ATOM 1387 O GLY A 90 13.380 9.836 -10.879 1.00 0.00 O ATOM 0 H GLY A 90 10.370 7.582 -11.344 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.770 7.699 -12.505 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.053 9.201 -13.053 1.00 0.00 H new ATOM 1391 N HIS A 91 11.628 8.922 -9.846 1.00 0.00 N ATOM 1392 CA HIS A 91 11.504 9.919 -8.775 1.00 0.00 C ATOM 1393 C HIS A 91 12.192 9.522 -7.462 1.00 0.00 C ATOM 1394 O HIS A 91 11.593 9.589 -6.388 1.00 0.00 O ATOM 1395 CB HIS A 91 10.024 10.309 -8.611 1.00 0.00 C ATOM 1396 CG HIS A 91 9.079 9.285 -8.020 1.00 0.00 C ATOM 1397 ND1 HIS A 91 9.011 8.863 -6.711 1.00 0.00 N ATOM 1398 CD2 HIS A 91 8.037 8.700 -8.675 1.00 0.00 C ATOM 1399 CE1 HIS A 91 8.006 7.985 -6.595 1.00 0.00 C ATOM 1400 NE2 HIS A 91 7.408 7.830 -7.782 1.00 0.00 N ATOM 0 H HIS A 91 11.083 8.075 -9.686 1.00 0.00 H new ATOM 0 HA HIS A 91 12.060 10.807 -9.077 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.981 11.202 -7.987 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.642 10.588 -9.593 1.00 0.00 H new ATOM 0 HD1 HIS A 91 9.624 9.168 -5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.749 8.877 -9.701 1.00 0.00 H new ATOM 0 HE1 HIS A 91 7.722 7.480 -5.684 1.00 0.00 H new ATOM 1408 N CYS A 92 13.448 9.073 -7.500 1.00 0.00 N ATOM 1409 CA CYS A 92 14.163 8.692 -6.278 1.00 0.00 C ATOM 1410 C CYS A 92 14.291 9.877 -5.301 1.00 0.00 C ATOM 1411 O CYS A 92 13.948 11.013 -5.645 1.00 0.00 O ATOM 1412 CB CYS A 92 15.511 8.059 -6.648 1.00 0.00 C ATOM 1413 SG CYS A 92 15.200 6.418 -7.359 1.00 0.00 S ATOM 0 H CYS A 92 13.989 8.964 -8.358 1.00 0.00 H new ATOM 0 HA CYS A 92 13.585 7.940 -5.740 1.00 0.00 H new ATOM 0 HB2 CYS A 92 16.041 8.688 -7.363 1.00 0.00 H new ATOM 0 HB3 CYS A 92 16.145 7.976 -5.766 1.00 0.00 H new ATOM 0 HG CYS A 92 16.331 5.864 -7.682 1.00 0.00 H new ATOM 1419 N CYS A 93 14.750 9.591 -4.077 1.00 0.00 N ATOM 1420 CA CYS A 93 14.710 10.488 -2.921 1.00 0.00 C ATOM 1421 C CYS A 93 15.249 11.878 -3.243 1.00 0.00 C ATOM 1422 O CYS A 93 16.157 12.033 -4.064 1.00 0.00 O ATOM 1423 CB CYS A 93 15.567 9.933 -1.773 1.00 0.00 C ATOM 1424 SG CYS A 93 15.760 8.128 -1.776 1.00 0.00 S ATOM 0 H CYS A 93 15.177 8.691 -3.858 1.00 0.00 H new ATOM 0 HA CYS A 93 13.660 10.558 -2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.555 10.391 -1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 93 15.121 10.236 -0.826 1.00 0.00 H new ATOM 0 HG CYS A 93 16.500 7.769 -0.769 1.00 0.00 H new ATOM 1430 N THR A 94 14.729 12.865 -2.526 1.00 0.00 N ATOM 1431 CA THR A 94 15.099 14.264 -2.685 1.00 0.00 C ATOM 1432 C THR A 94 15.453 14.847 -1.321 1.00 0.00 C ATOM 1433 O THR A 94 16.411 15.612 -1.171 1.00 0.00 O ATOM 1434 CB THR A 94 13.926 15.000 -3.358 1.00 0.00 C ATOM 1435 OG1 THR A 94 12.773 14.907 -2.544 1.00 0.00 O ATOM 1436 CG2 THR A 94 13.574 14.354 -4.699 1.00 0.00 C ATOM 0 H THR A 94 14.025 12.712 -1.804 1.00 0.00 H new ATOM 0 HA THR A 94 15.978 14.377 -3.320 1.00 0.00 H new ATOM 0 HB THR A 94 14.230 16.037 -3.504 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.029 15.378 -2.975 1.00 0.00 H new ATOM 0 HG21 THR A 94 12.743 14.892 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.439 14.395 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.289 13.314 -4.538 1.00 0.00 H new ATOM 1444 N SER A 95 14.708 14.436 -0.299 1.00 0.00 N ATOM 1445 CA SER A 95 14.727 14.994 1.026 1.00 0.00 C ATOM 1446 C SER A 95 14.596 13.873 2.051 1.00 0.00 C ATOM 1447 O SER A 95 14.020 12.823 1.765 1.00 0.00 O ATOM 1448 CB SER A 95 13.551 15.972 1.117 1.00 0.00 C ATOM 1449 OG SER A 95 13.994 17.318 0.997 1.00 0.00 O ATOM 0 H SER A 95 14.046 13.666 -0.390 1.00 0.00 H new ATOM 0 HA SER A 95 15.661 15.517 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.829 15.752 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.036 15.839 2.068 1.00 0.00 H new ATOM 0 HG SER A 95 13.225 17.922 1.057 1.00 0.00 H new ATOM 1455 N LYS A 96 15.083 14.158 3.265 1.00 0.00 N ATOM 1456 CA LYS A 96 15.075 13.295 4.442 1.00 0.00 C ATOM 1457 C LYS A 96 15.489 11.848 4.136 1.00 0.00 C ATOM 1458 O LYS A 96 16.127 11.554 3.127 1.00 0.00 O ATOM 1459 CB LYS A 96 13.812 13.513 5.289 1.00 0.00 C ATOM 1460 CG LYS A 96 12.540 12.877 4.739 1.00 0.00 C ATOM 1461 CD LYS A 96 11.665 13.795 3.860 1.00 0.00 C ATOM 1462 CE LYS A 96 10.175 13.498 4.060 1.00 0.00 C ATOM 1463 NZ LYS A 96 9.515 14.442 4.989 1.00 0.00 N ATOM 0 H LYS A 96 15.521 15.058 3.459 1.00 0.00 H new ATOM 0 HA LYS A 96 15.880 13.602 5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 96 13.993 13.118 6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.646 14.585 5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.817 12.000 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.939 12.525 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.867 14.838 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.928 13.657 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.670 13.535 3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.061 12.483 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.533 14.141 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.027 14.453 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.521 15.397 4.576 1.00 0.00 H new ATOM 1477 N MET A 97 15.179 10.935 5.049 1.00 0.00 N ATOM 1478 CA MET A 97 15.261 9.495 4.830 1.00 0.00 C ATOM 1479 C MET A 97 14.140 9.035 3.885 1.00 0.00 C ATOM 1480 O MET A 97 13.302 8.222 4.278 1.00 0.00 O ATOM 1481 CB MET A 97 15.213 8.763 6.182 1.00 0.00 C ATOM 1482 CG MET A 97 14.004 9.154 7.057 1.00 0.00 C ATOM 1483 SD MET A 97 13.536 7.934 8.311 1.00 0.00 S ATOM 1484 CE MET A 97 12.775 6.678 7.235 1.00 0.00 C ATOM 0 H MET A 97 14.856 11.181 5.985 1.00 0.00 H new ATOM 0 HA MET A 97 16.208 9.249 4.350 1.00 0.00 H new ATOM 0 HB2 MET A 97 15.188 7.688 6.002 1.00 0.00 H new ATOM 0 HB3 MET A 97 16.131 8.973 6.731 1.00 0.00 H new ATOM 0 HG2 MET A 97 14.226 10.097 7.556 1.00 0.00 H new ATOM 0 HG3 MET A 97 13.147 9.331 6.407 1.00 0.00 H new ATOM 0 HE1 MET A 97 12.240 5.951 7.846 1.00 0.00 H new ATOM 0 HE2 MET A 97 12.078 7.160 6.550 1.00 0.00 H new ATOM 0 HE3 MET A 97 13.552 6.169 6.664 1.00 0.00 H new ATOM 1494 N HIS A 98 14.088 9.567 2.658 1.00 0.00 N ATOM 1495 CA HIS A 98 13.028 9.350 1.675 1.00 0.00 C ATOM 1496 C HIS A 98 11.718 9.996 2.173 1.00 0.00 C ATOM 1497 O HIS A 98 11.275 10.988 1.604 1.00 0.00 O ATOM 1498 CB HIS A 98 12.903 7.849 1.336 1.00 0.00 C ATOM 1499 CG HIS A 98 12.653 7.475 -0.101 1.00 0.00 C ATOM 1500 ND1 HIS A 98 13.194 6.369 -0.720 1.00 0.00 N ATOM 1501 CD2 HIS A 98 11.877 8.130 -1.018 1.00 0.00 C ATOM 1502 CE1 HIS A 98 12.754 6.351 -1.985 1.00 0.00 C ATOM 1503 NE2 HIS A 98 11.960 7.410 -2.219 1.00 0.00 N ATOM 0 H HIS A 98 14.819 10.188 2.311 1.00 0.00 H new ATOM 0 HA HIS A 98 13.276 9.841 0.734 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.820 7.355 1.656 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.092 7.436 1.936 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.308 9.032 -0.849 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.002 5.593 -2.713 1.00 0.00 H new ATOM 0 HE2 HIS A 98 11.505 7.645 -3.101 1.00 0.00 H new ATOM 1511 N LEU A 99 11.077 9.452 3.221 1.00 0.00 N ATOM 1512 CA LEU A 99 9.729 9.785 3.691 1.00 0.00 C ATOM 1513 C LEU A 99 9.700 9.743 5.215 1.00 0.00 C ATOM 1514 O LEU A 99 10.332 8.887 5.833 1.00 0.00 O ATOM 1515 CB LEU A 99 8.710 8.795 3.105 1.00 0.00 C ATOM 1516 CG LEU A 99 8.674 8.812 1.561 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.819 7.669 1.038 1.00 0.00 C ATOM 1518 CD2 LEU A 99 8.125 10.127 1.000 1.00 0.00 C ATOM 0 H LEU A 99 11.513 8.728 3.792 1.00 0.00 H new ATOM 0 HA LEU A 99 9.464 10.789 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.951 7.788 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.718 9.033 3.489 1.00 0.00 H new ATOM 0 HG LEU A 99 9.706 8.702 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.804 7.695 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.237 6.719 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.802 7.772 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.122 10.085 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.108 10.280 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.754 10.954 1.329 1.00 0.00 H new ATOM 1530 N HIS A 100 8.972 10.684 5.824 1.00 0.00 N ATOM 1531 CA HIS A 100 8.937 10.850 7.276 1.00 0.00 C ATOM 1532 C HIS A 100 8.079 9.774 7.960 1.00 0.00 C ATOM 1533 O HIS A 100 8.304 9.473 9.135 1.00 0.00 O ATOM 1534 CB HIS A 100 8.398 12.257 7.586 1.00 0.00 C ATOM 1535 CG HIS A 100 8.124 12.591 9.030 1.00 0.00 C ATOM 1536 ND1 HIS A 100 7.046 13.324 9.474 1.00 0.00 N ATOM 1537 CD2 HIS A 100 8.865 12.237 10.124 1.00 0.00 C ATOM 1538 CE1 HIS A 100 7.107 13.382 10.812 1.00 0.00 C ATOM 1539 NE2 HIS A 100 8.210 12.753 11.249 1.00 0.00 N ATOM 0 H HIS A 100 8.389 11.353 5.320 1.00 0.00 H new ATOM 0 HA HIS A 100 9.946 10.735 7.671 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.113 12.984 7.202 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.472 12.394 7.027 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.782 11.667 10.121 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.377 13.864 11.445 1.00 0.00 H new ATOM 0 HE2 HIS A 100 8.514 12.667 12.219 1.00 0.00 H new ATOM 1547 N SER A 101 7.088 9.233 7.248 1.00 0.00 N ATOM 1548 CA SER A 101 6.100 8.284 7.763 1.00 0.00 C ATOM 1549 C SER A 101 5.122 7.899 6.646 1.00 0.00 C ATOM 1550 O SER A 101 5.225 8.412 5.527 1.00 0.00 O ATOM 1551 CB SER A 101 5.371 8.880 8.977 1.00 0.00 C ATOM 1552 OG SER A 101 4.945 10.213 8.743 1.00 0.00 O ATOM 0 H SER A 101 6.947 9.452 6.262 1.00 0.00 H new ATOM 0 HA SER A 101 6.604 7.378 8.098 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.507 8.261 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.032 8.858 9.843 1.00 0.00 H new ATOM 0 HG SER A 101 4.485 10.554 9.538 1.00 0.00 H new ATOM 1558 N VAL A 102 4.147 7.026 6.933 1.00 0.00 N ATOM 1559 CA VAL A 102 3.168 6.559 5.956 1.00 0.00 C ATOM 1560 C VAL A 102 2.309 7.738 5.509 1.00 0.00 C ATOM 1561 O VAL A 102 2.093 7.920 4.317 1.00 0.00 O ATOM 1562 CB VAL A 102 2.287 5.436 6.553 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.490 4.703 5.457 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.147 4.459 7.377 1.00 0.00 C ATOM 0 H VAL A 102 4.019 6.623 7.861 1.00 0.00 H new ATOM 0 HA VAL A 102 3.690 6.144 5.094 1.00 0.00 H new ATOM 0 HB VAL A 102 1.559 5.894 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.882 3.921 5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.843 5.413 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.181 4.257 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.512 3.675 7.790 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.905 4.011 6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.633 4.999 8.190 1.00 0.00 H new ATOM 1574 N MET A 103 1.835 8.565 6.442 1.00 0.00 N ATOM 1575 CA MET A 103 0.958 9.681 6.095 1.00 0.00 C ATOM 1576 C MET A 103 1.686 10.680 5.187 1.00 0.00 C ATOM 1577 O MET A 103 1.078 11.320 4.326 1.00 0.00 O ATOM 1578 CB MET A 103 0.522 10.382 7.379 1.00 0.00 C ATOM 1579 CG MET A 103 -0.748 11.203 7.204 1.00 0.00 C ATOM 1580 SD MET A 103 -2.291 10.250 7.267 1.00 0.00 S ATOM 1581 CE MET A 103 -2.965 10.597 5.620 1.00 0.00 C ATOM 0 H MET A 103 2.043 8.483 7.437 1.00 0.00 H new ATOM 0 HA MET A 103 0.089 9.299 5.559 1.00 0.00 H new ATOM 0 HB2 MET A 103 0.362 9.636 8.158 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.326 11.034 7.722 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.779 11.967 7.980 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.698 11.722 6.247 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.918 10.081 5.501 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.117 11.670 5.508 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.266 10.249 4.860 1.00 0.00 H new ATOM 1591 N ASP A 104 2.999 10.816 5.390 1.00 0.00 N ATOM 1592 CA ASP A 104 3.863 11.681 4.601 1.00 0.00 C ATOM 1593 C ASP A 104 4.053 11.078 3.205 1.00 0.00 C ATOM 1594 O ASP A 104 4.057 11.801 2.212 1.00 0.00 O ATOM 1595 CB ASP A 104 5.213 11.854 5.323 1.00 0.00 C ATOM 1596 CG ASP A 104 5.754 13.281 5.228 1.00 0.00 C ATOM 1597 OD1 ASP A 104 5.051 14.239 5.625 1.00 0.00 O ATOM 1598 OD2 ASP A 104 6.923 13.468 4.818 1.00 0.00 O ATOM 0 H ASP A 104 3.497 10.314 6.125 1.00 0.00 H new ATOM 0 HA ASP A 104 3.407 12.664 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.097 11.583 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.941 11.165 4.895 1.00 0.00 H new ATOM 1603 N ALA A 105 4.163 9.744 3.123 1.00 0.00 N ATOM 1604 CA ALA A 105 4.269 8.974 1.888 1.00 0.00 C ATOM 1605 C ALA A 105 3.021 9.093 1.018 1.00 0.00 C ATOM 1606 O ALA A 105 3.131 9.207 -0.200 1.00 0.00 O ATOM 1607 CB ALA A 105 4.509 7.489 2.213 1.00 0.00 C ATOM 0 H ALA A 105 4.181 9.153 3.954 1.00 0.00 H new ATOM 0 HA ALA A 105 5.110 9.385 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.587 6.922 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.434 7.386 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.676 7.107 2.803 1.00 0.00 H new ATOM 1613 N ILE A 106 1.836 9.020 1.623 1.00 0.00 N ATOM 1614 CA ILE A 106 0.574 9.109 0.902 1.00 0.00 C ATOM 1615 C ILE A 106 0.495 10.472 0.213 1.00 0.00 C ATOM 1616 O ILE A 106 0.219 10.536 -0.987 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.594 8.867 1.879 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.614 7.439 2.460 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -1.957 9.169 1.250 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.868 6.290 1.487 1.00 0.00 C ATOM 0 H ILE A 106 1.728 8.897 2.630 1.00 0.00 H new ATOM 0 HA ILE A 106 0.509 8.343 0.130 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.416 9.567 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.343 7.261 2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.380 7.401 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.744 8.982 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.991 10.213 0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.107 8.527 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.855 5.345 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.840 6.423 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.090 6.281 0.724 1.00 0.00 H new ATOM 1632 N ASP A 107 0.740 11.546 0.969 1.00 0.00 N ATOM 1633 CA ASP A 107 0.633 12.910 0.460 1.00 0.00 C ATOM 1634 C ASP A 107 1.701 13.166 -0.597 1.00 0.00 C ATOM 1635 O ASP A 107 1.415 13.769 -1.625 1.00 0.00 O ATOM 1636 CB ASP A 107 0.735 13.918 1.607 1.00 0.00 C ATOM 1637 CG ASP A 107 -0.153 15.144 1.380 1.00 0.00 C ATOM 1638 OD1 ASP A 107 -1.379 14.960 1.186 1.00 0.00 O ATOM 1639 OD2 ASP A 107 0.344 16.287 1.520 1.00 0.00 O ATOM 0 H ASP A 107 1.017 11.491 1.949 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.343 13.035 -0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.450 13.433 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.771 14.237 1.717 1.00 0.00 H new ATOM 1644 N PHE A 108 2.912 12.641 -0.376 1.00 0.00 N ATOM 1645 CA PHE A 108 4.007 12.652 -1.340 1.00 0.00 C ATOM 1646 C PHE A 108 3.571 12.051 -2.675 1.00 0.00 C ATOM 1647 O PHE A 108 3.677 12.714 -3.701 1.00 0.00 O ATOM 1648 CB PHE A 108 5.220 11.920 -0.751 1.00 0.00 C ATOM 1649 CG PHE A 108 6.405 11.811 -1.685 1.00 0.00 C ATOM 1650 CD1 PHE A 108 7.290 12.897 -1.827 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.631 10.620 -2.404 1.00 0.00 C ATOM 1652 CE1 PHE A 108 8.398 12.793 -2.684 1.00 0.00 C ATOM 1653 CE2 PHE A 108 7.735 10.523 -3.267 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.613 11.610 -3.408 1.00 0.00 C ATOM 0 H PHE A 108 3.159 12.186 0.503 1.00 0.00 H new ATOM 0 HA PHE A 108 4.295 13.684 -1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.535 12.437 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 108 4.914 10.917 -0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 108 7.117 13.810 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.957 9.784 -2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.083 13.622 -2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 108 7.909 9.613 -3.822 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.458 11.535 -4.077 1.00 0.00 H new ATOM 1664 N LEU A 109 3.075 10.809 -2.668 1.00 0.00 N ATOM 1665 CA LEU A 109 2.677 10.120 -3.892 1.00 0.00 C ATOM 1666 C LEU A 109 1.540 10.840 -4.600 1.00 0.00 C ATOM 1667 O LEU A 109 1.532 10.901 -5.827 1.00 0.00 O ATOM 1668 CB LEU A 109 2.270 8.668 -3.607 1.00 0.00 C ATOM 1669 CG LEU A 109 3.438 7.716 -3.277 1.00 0.00 C ATOM 1670 CD1 LEU A 109 2.895 6.291 -3.135 1.00 0.00 C ATOM 1671 CD2 LEU A 109 4.561 7.720 -4.320 1.00 0.00 C ATOM 0 H LEU A 109 2.940 10.260 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 109 3.547 10.121 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.568 8.660 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.738 8.279 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 109 3.878 8.076 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.714 5.611 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.158 6.261 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.425 5.986 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.344 7.025 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.161 7.414 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.978 8.724 -4.401 1.00 0.00 H new ATOM 1683 N ASN A 110 0.580 11.378 -3.851 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.518 12.138 -4.439 1.00 0.00 C ATOM 1685 C ASN A 110 0.019 13.407 -5.095 1.00 0.00 C ATOM 1686 O ASN A 110 -0.412 13.768 -6.186 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.550 12.502 -3.359 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.608 11.437 -3.177 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.713 11.550 -3.697 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.306 10.405 -2.415 1.00 0.00 N ATOM 0 H ASN A 110 0.541 11.301 -2.835 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.004 11.524 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.036 12.663 -2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.031 13.444 -3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.999 9.676 -2.246 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.379 10.335 -1.995 1.00 0.00 H new ATOM 1697 N ALA A 111 0.967 14.086 -4.448 1.00 0.00 N ATOM 1698 CA ALA A 111 1.543 15.318 -4.956 1.00 0.00 C ATOM 1699 C ALA A 111 2.435 15.105 -6.183 1.00 0.00 C ATOM 1700 O ALA A 111 2.741 16.090 -6.856 1.00 0.00 O ATOM 1701 CB ALA A 111 2.332 16.000 -3.844 1.00 0.00 C ATOM 0 H ALA A 111 1.355 13.790 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 111 0.718 15.952 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.766 16.926 -4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.666 16.225 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.128 15.338 -3.504 1.00 0.00 H new ATOM 1707 N LEU A 112 2.832 13.871 -6.518 1.00 0.00 N ATOM 1708 CA LEU A 112 3.546 13.593 -7.764 1.00 0.00 C ATOM 1709 C LEU A 112 2.698 13.969 -8.973 1.00 0.00 C ATOM 1710 O LEU A 112 3.248 14.327 -10.013 1.00 0.00 O ATOM 1711 CB LEU A 112 3.882 12.096 -7.906 1.00 0.00 C ATOM 1712 CG LEU A 112 4.850 11.514 -6.868 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.032 10.013 -7.121 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.203 12.227 -6.894 1.00 0.00 C ATOM 0 H LEU A 112 2.668 13.048 -5.938 1.00 0.00 H new ATOM 0 HA LEU A 112 4.461 14.185 -7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.951 11.531 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.305 11.933 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 112 4.421 11.668 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.720 9.600 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.068 9.511 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.438 9.859 -8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.861 11.786 -6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.653 12.118 -7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.061 13.285 -6.675 1.00 0.00 H new ATOM 1726 N GLU A 113 1.385 13.793 -8.854 1.00 0.00 N ATOM 1727 CA GLU A 113 0.425 13.831 -9.942 1.00 0.00 C ATOM 1728 C GLU A 113 0.086 15.261 -10.375 1.00 0.00 C ATOM 1729 O GLU A 113 0.128 16.195 -9.566 1.00 0.00 O ATOM 1730 CB GLU A 113 -0.867 13.155 -9.450 1.00 0.00 C ATOM 1731 CG GLU A 113 -1.374 12.067 -10.389 1.00 0.00 C ATOM 1732 CD GLU A 113 -2.891 11.952 -10.264 1.00 0.00 C ATOM 1733 OE1 GLU A 113 -3.361 11.554 -9.175 1.00 0.00 O ATOM 1734 OE2 GLU A 113 -3.617 12.330 -11.216 1.00 0.00 O ATOM 0 H GLU A 113 0.945 13.612 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 113 0.861 13.320 -10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.690 12.722 -8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.642 13.912 -9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.100 12.303 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.905 11.114 -10.145 1.00 0.00 H new ATOM 1741 N GLY A 114 -0.416 15.391 -11.600 1.00 0.00 N ATOM 1742 CA GLY A 114 -1.052 16.563 -12.170 1.00 0.00 C ATOM 1743 C GLY A 114 -1.926 16.099 -13.322 1.00 0.00 C ATOM 1744 O GLY A 114 -2.873 16.835 -13.668 1.00 0.00 O ATOM 0 H GLY A 114 -0.384 14.619 -12.266 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -1.651 17.077 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -0.303 17.273 -12.520 1.00 0.00 H new TER 1748 GLY A 114