USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=23 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 100 HIS : no HD1:sc= 0.87 K(o=1.6,f=-2.7) USER MOD Set 1.2: A 101 SER OG : rot 81:sc= 0.7 USER MOD Set 2.1: A 86 CYS SG : rot -167:sc= 0.319 USER MOD Set 2.2: A 98 HIS : no HE2:sc= 0.534 K(o=0.85,f=-3.1!) USER MOD Set 3.1: A 66 HIS : no HD1:sc= -2.05 K(o=-2.2,f=-3.5) USER MOD Set 3.2: A 68 HIS : no HE2:sc= -0.134 K(o=-2.2,f=-6.9) USER MOD Set 4.1: A 23 ASN : amide:sc= 0 X(o=0,f=0.028) USER MOD Set 4.2: A 88 THR OG1 : rot -170:sc= 0 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0223) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc=0.000469 USER MOD Single : A 8 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-1.1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 1.82 (180deg=1.78) USER MOD Single : A 19 GLN : amide:sc= -0.255 K(o=-0.26,f=-1.7!) USER MOD Single : A 20 GLN : amide:sc= 0.294 K(o=0.29,f=-1.9!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.099 USER MOD Single : A 31 ASN :FLIP amide:sc= -2.5! C(o=-3.1!,f=-2.5!) USER MOD Single : A 35 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 38 CYS SG : rot -7:sc= 0.589 USER MOD Single : A 41 SER OG : rot 35:sc= 0.615 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS :FLIP no HD1:sc= 0.0994 F(o=-0.86,f=0.099) USER MOD Single : A 46 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.5!) 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 -150:sc=-7.62e-05 USER MOD Single : A 55 ASN : amide:sc=-0.00465 X(o=-0.0046,f=-0.49) USER MOD Single : A 57 HIS : no HE2:sc= 0.0617 K(o=0.062,f=-1.3) USER MOD Single : A 58 CYS SG : rot 180:sc= -3.72! USER MOD Single : A 79 ASN : amide:sc= 0.461 K(o=0.46,f=-2.9!) USER MOD Single : A 85 HIS : no HD1:sc= -0.489 K(o=-0.49,f=-2.3) USER MOD Single : A 91 HIS : no HD1:sc= -0.78 X(o=-0.78,f=-0.81) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot -18:sc= 0.317 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -174:sc= -0.201 (180deg=-0.251) USER MOD Single : A 110 ASN : amide:sc= -0.76 X(o=-0.76,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.099 -15.279 7.636 1.00 0.00 N ATOM 2 CA MET A 1 -17.976 -14.145 7.948 1.00 0.00 C ATOM 3 C MET A 1 -17.175 -12.856 8.081 1.00 0.00 C ATOM 4 O MET A 1 -16.278 -12.746 8.919 1.00 0.00 O ATOM 5 CB MET A 1 -18.903 -14.414 9.145 1.00 0.00 C ATOM 6 CG MET A 1 -18.232 -14.623 10.512 1.00 0.00 C ATOM 7 SD MET A 1 -18.964 -13.655 11.862 1.00 0.00 S ATOM 8 CE MET A 1 -18.461 -11.980 11.374 1.00 0.00 C ATOM 0 H1 MET A 1 -17.668 -16.145 7.551 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.605 -15.099 6.739 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.401 -15.398 8.398 1.00 0.00 H new ATOM 0 HA MET A 1 -18.651 -14.013 7.102 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.596 -13.577 9.232 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.498 -15.299 8.921 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.283 -15.681 10.770 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.176 -14.366 10.428 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.692 -11.282 12.178 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.389 -11.965 11.177 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.999 -11.686 10.473 1.00 0.00 H new ATOM 18 N GLY A 2 -17.499 -11.853 7.269 1.00 0.00 N ATOM 19 CA GLY A 2 -16.912 -10.523 7.306 1.00 0.00 C ATOM 20 C GLY A 2 -17.806 -9.563 6.539 1.00 0.00 C ATOM 21 O GLY A 2 -18.481 -9.985 5.605 1.00 0.00 O ATOM 0 H GLY A 2 -18.206 -11.952 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.801 -10.190 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.914 -10.540 6.867 1.00 0.00 H new ATOM 25 N ALA A 3 -17.856 -8.292 6.940 1.00 0.00 N ATOM 26 CA ALA A 3 -18.962 -7.399 6.584 1.00 0.00 C ATOM 27 C ALA A 3 -18.548 -6.256 5.647 1.00 0.00 C ATOM 28 O ALA A 3 -19.293 -5.279 5.512 1.00 0.00 O ATOM 29 CB ALA A 3 -19.643 -6.893 7.863 1.00 0.00 C ATOM 0 H ALA A 3 -17.137 -7.854 7.516 1.00 0.00 H new ATOM 0 HA ALA A 3 -19.683 -7.976 6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -20.466 -6.229 7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -20.029 -7.741 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -18.919 -6.350 8.470 1.00 0.00 H new ATOM 35 N GLY A 4 -17.393 -6.348 4.995 1.00 0.00 N ATOM 36 CA GLY A 4 -17.000 -5.469 3.905 1.00 0.00 C ATOM 37 C GLY A 4 -15.830 -6.100 3.158 1.00 0.00 C ATOM 38 O GLY A 4 -15.233 -7.060 3.641 1.00 0.00 O ATOM 0 H GLY A 4 -16.690 -7.053 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.839 -5.311 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.716 -4.491 4.293 1.00 0.00 H new ATOM 42 N GLN A 5 -15.439 -5.514 2.024 1.00 0.00 N ATOM 43 CA GLN A 5 -14.424 -6.073 1.121 1.00 0.00 C ATOM 44 C GLN A 5 -13.001 -5.705 1.593 1.00 0.00 C ATOM 45 O GLN A 5 -12.048 -5.742 0.806 1.00 0.00 O ATOM 46 CB GLN A 5 -14.655 -5.496 -0.295 1.00 0.00 C ATOM 47 CG GLN A 5 -16.047 -5.720 -0.932 1.00 0.00 C ATOM 48 CD GLN A 5 -16.097 -6.841 -1.973 1.00 0.00 C ATOM 49 OE1 GLN A 5 -16.771 -6.734 -2.998 1.00 0.00 O ATOM 50 NE2 GLN A 5 -15.504 -7.990 -1.715 1.00 0.00 N ATOM 0 H GLN A 5 -15.822 -4.626 1.701 1.00 0.00 H new ATOM 0 HA GLN A 5 -14.513 -7.159 1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -14.470 -4.422 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.906 -5.925 -0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -16.763 -5.944 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.371 -4.791 -1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.942 -8.096 -0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.607 -8.773 -2.360 1.00 0.00 H new ATOM 59 N THR A 6 -12.864 -5.247 2.837 1.00 0.00 N ATOM 60 CA THR A 6 -11.678 -4.598 3.380 1.00 0.00 C ATOM 61 C THR A 6 -10.493 -5.572 3.472 1.00 0.00 C ATOM 62 O THR A 6 -10.691 -6.792 3.471 1.00 0.00 O ATOM 63 CB THR A 6 -12.048 -3.933 4.721 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.628 -4.839 5.635 1.00 0.00 O ATOM 65 CG2 THR A 6 -13.062 -2.819 4.466 1.00 0.00 C ATOM 0 H THR A 6 -13.614 -5.324 3.524 1.00 0.00 H new ATOM 0 HA THR A 6 -11.335 -3.813 2.706 1.00 0.00 H new ATOM 0 HB THR A 6 -11.123 -3.552 5.152 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.843 -4.370 6.468 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.327 -2.345 5.411 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.626 -2.076 3.797 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.957 -3.240 4.007 1.00 0.00 H new ATOM 73 N PRO A 7 -9.245 -5.069 3.528 1.00 0.00 N ATOM 74 CA PRO A 7 -8.092 -5.946 3.492 1.00 0.00 C ATOM 75 C PRO A 7 -7.923 -6.675 4.827 1.00 0.00 C ATOM 76 O PRO A 7 -7.852 -7.903 4.851 1.00 0.00 O ATOM 77 CB PRO A 7 -6.907 -5.050 3.137 1.00 0.00 C ATOM 78 CG PRO A 7 -7.307 -3.673 3.661 1.00 0.00 C ATOM 79 CD PRO A 7 -8.831 -3.669 3.527 1.00 0.00 C ATOM 0 HA PRO A 7 -8.193 -6.741 2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.988 -5.402 3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.731 -5.031 2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.995 -3.531 4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.851 -2.873 3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -9.293 -3.126 4.352 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.139 -3.173 2.607 1.00 0.00 H new ATOM 87 N HIS A 8 -7.842 -5.935 5.933 1.00 0.00 N ATOM 88 CA HIS A 8 -7.662 -6.456 7.278 1.00 0.00 C ATOM 89 C HIS A 8 -8.220 -5.386 8.227 1.00 0.00 C ATOM 90 O HIS A 8 -8.003 -4.200 7.951 1.00 0.00 O ATOM 91 CB HIS A 8 -6.146 -6.661 7.491 1.00 0.00 C ATOM 92 CG HIS A 8 -5.764 -7.708 8.499 1.00 0.00 C ATOM 93 ND1 HIS A 8 -4.919 -7.544 9.576 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.035 -9.045 8.390 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.738 -8.752 10.139 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.402 -9.692 9.450 1.00 0.00 N ATOM 0 H HIS A 8 -7.903 -4.917 5.910 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.170 -7.405 7.452 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.696 -6.924 6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.709 -5.711 7.799 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.632 -9.514 7.622 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.143 -8.939 11.021 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.437 -10.689 9.661 1.00 0.00 H new ATOM 104 N PRO A 9 -8.855 -5.726 9.362 1.00 0.00 N ATOM 105 CA PRO A 9 -9.298 -4.726 10.333 1.00 0.00 C ATOM 106 C PRO A 9 -8.101 -4.084 11.035 1.00 0.00 C ATOM 107 O PRO A 9 -8.166 -2.940 11.473 1.00 0.00 O ATOM 108 CB PRO A 9 -10.178 -5.474 11.342 1.00 0.00 C ATOM 109 CG PRO A 9 -9.698 -6.923 11.247 1.00 0.00 C ATOM 110 CD PRO A 9 -9.197 -7.066 9.808 1.00 0.00 C ATOM 0 HA PRO A 9 -9.847 -3.920 9.847 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.055 -5.078 12.350 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.235 -5.386 11.092 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.904 -7.126 11.966 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.506 -7.624 11.458 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.330 -7.725 9.762 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.965 -7.504 9.170 1.00 0.00 H new ATOM 118 N GLN A 10 -7.006 -4.831 11.175 1.00 0.00 N ATOM 119 CA GLN A 10 -5.866 -4.406 11.973 1.00 0.00 C ATOM 120 C GLN A 10 -4.939 -3.465 11.204 1.00 0.00 C ATOM 121 O GLN A 10 -4.091 -2.822 11.823 1.00 0.00 O ATOM 122 CB GLN A 10 -5.074 -5.625 12.451 1.00 0.00 C ATOM 123 CG GLN A 10 -5.949 -6.774 12.975 1.00 0.00 C ATOM 124 CD GLN A 10 -5.140 -7.801 13.754 1.00 0.00 C ATOM 125 OE1 GLN A 10 -3.954 -8.005 13.503 1.00 0.00 O ATOM 126 NE2 GLN A 10 -5.755 -8.464 14.709 1.00 0.00 N ATOM 0 H GLN A 10 -6.888 -5.745 10.738 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.260 -3.858 12.829 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.463 -5.994 11.627 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.390 -5.314 13.241 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.733 -6.369 13.615 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.444 -7.264 12.136 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.740 -8.282 14.904 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.247 -9.160 15.255 1.00 0.00 H new ATOM 135 N LEU A 11 -5.081 -3.406 9.876 1.00 0.00 N ATOM 136 CA LEU A 11 -4.428 -2.431 9.015 1.00 0.00 C ATOM 137 C LEU A 11 -4.937 -1.048 9.411 1.00 0.00 C ATOM 138 O LEU A 11 -6.147 -0.815 9.398 1.00 0.00 O ATOM 139 CB LEU A 11 -4.736 -2.795 7.551 1.00 0.00 C ATOM 140 CG LEU A 11 -4.383 -1.711 6.509 1.00 0.00 C ATOM 141 CD1 LEU A 11 -3.812 -2.374 5.253 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.600 -0.875 6.103 1.00 0.00 C ATOM 0 H LEU A 11 -5.673 -4.058 9.361 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.344 -2.431 9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.194 -3.707 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.799 -3.023 7.467 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.651 -1.048 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.563 -1.608 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.913 -2.933 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.553 -3.054 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.299 -0.127 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.359 -1.525 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.009 -0.377 6.982 1.00 0.00 H new ATOM 154 N ILE A 12 -4.028 -0.150 9.782 1.00 0.00 N ATOM 155 CA ILE A 12 -4.353 1.211 10.178 1.00 0.00 C ATOM 156 C ILE A 12 -4.002 2.117 9.004 1.00 0.00 C ATOM 157 O ILE A 12 -2.829 2.293 8.677 1.00 0.00 O ATOM 158 CB ILE A 12 -3.657 1.560 11.509 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.306 0.815 12.702 1.00 0.00 C ATOM 160 CG2 ILE A 12 -3.628 3.069 11.786 1.00 0.00 C ATOM 161 CD1 ILE A 12 -5.748 1.205 13.061 1.00 0.00 C ATOM 0 H ILE A 12 -3.029 -0.354 9.815 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.414 1.346 10.388 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.625 1.225 11.403 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.287 -0.253 12.486 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.682 0.974 13.582 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.126 3.255 12.736 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.089 3.576 10.985 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.648 3.450 11.834 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.084 0.612 13.911 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.785 2.263 13.319 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.399 1.017 12.207 1.00 0.00 H new ATOM 173 N TRP A 13 -5.042 2.644 8.355 1.00 0.00 N ATOM 174 CA TRP A 13 -4.924 3.541 7.217 1.00 0.00 C ATOM 175 C TRP A 13 -4.123 4.805 7.588 1.00 0.00 C ATOM 176 O TRP A 13 -4.125 5.224 8.752 1.00 0.00 O ATOM 177 CB TRP A 13 -6.325 3.910 6.711 1.00 0.00 C ATOM 178 CG TRP A 13 -7.230 2.787 6.300 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.280 2.311 7.010 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.191 1.997 5.076 1.00 0.00 C ATOM 181 NE1 TRP A 13 -8.847 1.244 6.343 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.195 0.987 5.160 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.404 2.027 3.905 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.369 0.012 4.169 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.573 1.052 2.902 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.531 0.032 3.045 1.00 0.00 C ATOM 0 H TRP A 13 -6.009 2.451 8.616 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.380 3.032 6.421 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.827 4.477 7.495 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.209 4.578 5.858 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.622 2.706 7.955 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.648 0.713 6.684 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.665 2.804 3.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.136 -0.742 4.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -5.960 1.088 2.013 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.621 -0.735 2.290 1.00 0.00 H new ATOM 197 N PRO A 14 -3.513 5.484 6.601 1.00 0.00 N ATOM 198 CA PRO A 14 -3.467 5.077 5.202 1.00 0.00 C ATOM 199 C PRO A 14 -2.649 3.804 4.966 1.00 0.00 C ATOM 200 O PRO A 14 -1.971 3.305 5.862 1.00 0.00 O ATOM 201 CB PRO A 14 -2.825 6.234 4.467 1.00 0.00 C ATOM 202 CG PRO A 14 -1.949 6.897 5.520 1.00 0.00 C ATOM 203 CD PRO A 14 -2.796 6.736 6.775 1.00 0.00 C ATOM 0 HA PRO A 14 -4.474 4.846 4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.236 5.890 3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.573 6.924 4.078 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.980 6.406 5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.754 7.944 5.290 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.173 6.710 7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.487 7.571 6.892 1.00 0.00 H new ATOM 211 N ALA A 15 -2.735 3.271 3.748 1.00 0.00 N ATOM 212 CA ALA A 15 -2.011 2.079 3.356 1.00 0.00 C ATOM 213 C ALA A 15 -1.404 2.250 1.970 1.00 0.00 C ATOM 214 O ALA A 15 -1.717 3.192 1.240 1.00 0.00 O ATOM 215 CB ALA A 15 -2.949 0.873 3.401 1.00 0.00 C ATOM 0 H ALA A 15 -3.315 3.662 3.006 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.192 1.912 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.404 -0.023 3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.332 0.748 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.781 1.033 2.715 1.00 0.00 H new ATOM 221 N LEU A 16 -0.531 1.305 1.628 1.00 0.00 N ATOM 222 CA LEU A 16 0.278 1.292 0.424 1.00 0.00 C ATOM 223 C LEU A 16 0.236 -0.113 -0.156 1.00 0.00 C ATOM 224 O LEU A 16 0.856 -1.031 0.391 1.00 0.00 O ATOM 225 CB LEU A 16 1.716 1.726 0.770 1.00 0.00 C ATOM 226 CG LEU A 16 1.899 3.254 0.799 1.00 0.00 C ATOM 227 CD1 LEU A 16 3.273 3.593 1.389 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.802 3.874 -0.602 1.00 0.00 C ATOM 0 H LEU A 16 -0.365 0.489 2.217 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.106 1.991 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.988 1.316 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.403 1.298 0.040 1.00 0.00 H new ATOM 0 HG LEU A 16 1.098 3.667 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.403 4.675 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.340 3.200 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.054 3.145 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.937 4.953 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.577 3.452 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.822 3.658 -1.029 1.00 0.00 H new ATOM 240 N LEU A 17 -0.543 -0.302 -1.222 1.00 0.00 N ATOM 241 CA LEU A 17 -0.613 -1.556 -1.976 1.00 0.00 C ATOM 242 C LEU A 17 0.484 -1.526 -3.044 1.00 0.00 C ATOM 243 O LEU A 17 0.721 -0.452 -3.606 1.00 0.00 O ATOM 244 CB LEU A 17 -2.026 -1.665 -2.585 1.00 0.00 C ATOM 245 CG LEU A 17 -2.275 -2.835 -3.560 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.453 -4.156 -2.812 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.542 -2.567 -4.382 1.00 0.00 C ATOM 0 H LEU A 17 -1.155 0.425 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.448 -2.431 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.743 -1.745 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.243 -0.734 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.405 -2.911 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.627 -4.959 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.553 -4.372 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.306 -4.080 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.713 -3.396 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.396 -2.469 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.419 -1.645 -4.950 1.00 0.00 H new ATOM 259 N LYS A 18 1.144 -2.653 -3.361 1.00 0.00 N ATOM 260 CA LYS A 18 2.195 -2.695 -4.392 1.00 0.00 C ATOM 261 C LYS A 18 2.050 -3.951 -5.248 1.00 0.00 C ATOM 262 O LYS A 18 2.757 -4.940 -5.015 1.00 0.00 O ATOM 263 CB LYS A 18 3.601 -2.512 -3.775 1.00 0.00 C ATOM 264 CG LYS A 18 4.485 -1.656 -4.695 1.00 0.00 C ATOM 265 CD LYS A 18 4.857 -2.289 -6.036 1.00 0.00 C ATOM 266 CE LYS A 18 5.682 -3.558 -5.832 1.00 0.00 C ATOM 267 NZ LYS A 18 5.157 -4.699 -6.600 1.00 0.00 N ATOM 0 H LYS A 18 0.966 -3.553 -2.914 1.00 0.00 H new ATOM 0 HA LYS A 18 2.069 -1.848 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.517 -2.037 -2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.065 -3.486 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.971 -0.715 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.404 -1.413 -4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.951 -2.526 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.423 -1.575 -6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.714 -3.369 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.696 -3.813 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.698 -5.555 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.155 -4.846 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.246 -4.503 -7.617 1.00 0.00 H new ATOM 281 N GLN A 19 1.177 -3.900 -6.256 1.00 0.00 N ATOM 282 CA GLN A 19 0.629 -5.084 -6.904 1.00 0.00 C ATOM 283 C GLN A 19 1.722 -5.947 -7.517 1.00 0.00 C ATOM 284 O GLN A 19 2.807 -5.462 -7.858 1.00 0.00 O ATOM 285 CB GLN A 19 -0.403 -4.718 -7.981 1.00 0.00 C ATOM 286 CG GLN A 19 -1.481 -3.752 -7.480 1.00 0.00 C ATOM 287 CD GLN A 19 -2.755 -3.880 -8.293 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.952 -3.181 -9.280 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.625 -4.795 -7.907 1.00 0.00 N ATOM 0 H GLN A 19 0.830 -3.024 -6.646 1.00 0.00 H new ATOM 0 HA GLN A 19 0.129 -5.657 -6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.112 -4.269 -8.831 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.880 -5.629 -8.342 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.695 -3.954 -6.430 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.111 -2.728 -7.538 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.435 -5.363 -7.081 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.487 -4.934 -8.435 1.00 0.00 H new ATOM 298 N GLN A 20 1.443 -7.240 -7.674 1.00 0.00 N ATOM 299 CA GLN A 20 2.423 -8.166 -8.183 1.00 0.00 C ATOM 300 C GLN A 20 2.748 -7.790 -9.628 1.00 0.00 C ATOM 301 O GLN A 20 1.906 -7.360 -10.423 1.00 0.00 O ATOM 302 CB GLN A 20 1.953 -9.618 -7.991 1.00 0.00 C ATOM 303 CG GLN A 20 3.093 -10.510 -7.486 1.00 0.00 C ATOM 304 CD GLN A 20 4.106 -10.875 -8.566 1.00 0.00 C ATOM 305 OE1 GLN A 20 5.143 -10.233 -8.727 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.849 -11.921 -9.325 1.00 0.00 N ATOM 0 H GLN A 20 0.540 -7.660 -7.452 1.00 0.00 H new ATOM 0 HA GLN A 20 3.354 -8.099 -7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.126 -9.644 -7.281 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.574 -10.008 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.609 -10.000 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.671 -11.425 -7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.988 -12.451 -9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.511 -12.201 -10.049 1.00 0.00 H new ATOM 315 N GLY A 21 4.030 -7.898 -9.927 1.00 0.00 N ATOM 316 CA GLY A 21 4.680 -7.529 -11.168 1.00 0.00 C ATOM 317 C GLY A 21 4.729 -6.017 -11.415 1.00 0.00 C ATOM 318 O GLY A 21 5.739 -5.545 -11.937 1.00 0.00 O ATOM 0 H GLY A 21 4.695 -8.277 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.697 -7.920 -11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.157 -8.006 -11.997 1.00 0.00 H new ATOM 322 N CYS A 22 3.736 -5.224 -11.000 1.00 0.00 N ATOM 323 CA CYS A 22 3.753 -3.778 -11.170 1.00 0.00 C ATOM 324 C CYS A 22 4.692 -3.114 -10.151 1.00 0.00 C ATOM 325 O CYS A 22 5.288 -3.772 -9.285 1.00 0.00 O ATOM 326 CB CYS A 22 2.324 -3.251 -11.021 1.00 0.00 C ATOM 327 SG CYS A 22 1.243 -3.763 -12.377 1.00 0.00 S ATOM 0 H CYS A 22 2.898 -5.574 -10.536 1.00 0.00 H new ATOM 0 HA CYS A 22 4.131 -3.533 -12.162 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.908 -3.604 -10.078 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.346 -2.162 -10.972 1.00 0.00 H new ATOM 0 HG CYS A 22 0.050 -3.284 -12.185 1.00 0.00 H new ATOM 333 N ASN A 23 4.838 -1.791 -10.273 1.00 0.00 N ATOM 334 CA ASN A 23 5.740 -0.970 -9.462 1.00 0.00 C ATOM 335 C ASN A 23 5.011 0.221 -8.849 1.00 0.00 C ATOM 336 O ASN A 23 5.488 0.762 -7.854 1.00 0.00 O ATOM 337 CB ASN A 23 6.912 -0.435 -10.305 1.00 0.00 C ATOM 338 CG ASN A 23 7.556 -1.513 -11.146 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.160 -2.446 -10.623 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.363 -1.466 -12.447 1.00 0.00 N ATOM 0 H ASN A 23 4.316 -1.246 -10.959 1.00 0.00 H new ATOM 0 HA ASN A 23 6.118 -1.615 -8.668 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.554 0.364 -10.955 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.661 0.003 -9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.718 -2.214 -13.043 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.859 -0.681 -12.860 1.00 0.00 H new ATOM 347 N GLU A 24 3.886 0.640 -9.434 1.00 0.00 N ATOM 348 CA GLU A 24 3.137 1.803 -8.994 1.00 0.00 C ATOM 349 C GLU A 24 2.573 1.502 -7.613 1.00 0.00 C ATOM 350 O GLU A 24 1.727 0.617 -7.461 1.00 0.00 O ATOM 351 CB GLU A 24 2.033 2.130 -10.008 1.00 0.00 C ATOM 352 CG GLU A 24 1.372 3.500 -9.738 1.00 0.00 C ATOM 353 CD GLU A 24 -0.122 3.453 -9.369 1.00 0.00 C ATOM 354 OE1 GLU A 24 -0.855 2.558 -9.860 1.00 0.00 O ATOM 355 OE2 GLU A 24 -0.591 4.329 -8.618 1.00 0.00 O ATOM 0 H GLU A 24 3.470 0.169 -10.238 1.00 0.00 H new ATOM 0 HA GLU A 24 3.779 2.682 -8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.454 2.125 -11.013 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.272 1.350 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.913 3.992 -8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.490 4.122 -10.625 1.00 0.00 H new ATOM 362 N LEU A 25 3.080 2.180 -6.584 1.00 0.00 N ATOM 363 CA LEU A 25 2.426 2.146 -5.285 1.00 0.00 C ATOM 364 C LEU A 25 1.031 2.698 -5.472 1.00 0.00 C ATOM 365 O LEU A 25 0.884 3.724 -6.131 1.00 0.00 O ATOM 366 CB LEU A 25 3.146 2.992 -4.218 1.00 0.00 C ATOM 367 CG LEU A 25 4.085 2.205 -3.301 1.00 0.00 C ATOM 368 CD1 LEU A 25 3.334 1.113 -2.538 1.00 0.00 C ATOM 369 CD2 LEU A 25 5.276 1.632 -4.064 1.00 0.00 C ATOM 0 H LEU A 25 3.926 2.748 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 25 2.432 1.116 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.720 3.772 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.397 3.492 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 25 4.481 2.908 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.030 0.573 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.554 1.567 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.882 0.419 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.918 1.081 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.919 0.960 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.843 2.445 -4.517 1.00 0.00 H new ATOM 381 N LEU A 26 0.073 2.062 -4.815 1.00 0.00 N ATOM 382 CA LEU A 26 -1.330 2.430 -4.769 1.00 0.00 C ATOM 383 C LEU A 26 -1.516 3.064 -3.393 1.00 0.00 C ATOM 384 O LEU A 26 -1.668 2.320 -2.415 1.00 0.00 O ATOM 385 CB LEU A 26 -2.288 1.234 -4.994 1.00 0.00 C ATOM 386 CG LEU A 26 -3.134 1.251 -6.279 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.894 2.567 -6.471 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.294 0.922 -7.510 1.00 0.00 C ATOM 0 H LEU A 26 0.269 1.224 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.583 3.113 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.695 0.319 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.966 1.178 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.882 0.468 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.473 2.521 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.566 2.725 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.184 3.392 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.926 0.944 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.497 1.658 -7.614 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.859 -0.071 -7.399 1.00 0.00 H new ATOM 400 N PRO A 27 -1.284 4.380 -3.243 1.00 0.00 N ATOM 401 CA PRO A 27 -1.633 5.073 -2.016 1.00 0.00 C ATOM 402 C PRO A 27 -3.146 4.988 -1.836 1.00 0.00 C ATOM 403 O PRO A 27 -3.906 5.053 -2.810 1.00 0.00 O ATOM 404 CB PRO A 27 -1.164 6.509 -2.220 1.00 0.00 C ATOM 405 CG PRO A 27 -1.296 6.732 -3.722 1.00 0.00 C ATOM 406 CD PRO A 27 -0.967 5.353 -4.287 1.00 0.00 C ATOM 0 HA PRO A 27 -1.173 4.649 -1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.777 7.213 -1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.135 6.644 -1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.300 7.056 -3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.605 7.494 -4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.548 5.156 -5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.085 5.291 -4.566 1.00 0.00 H new ATOM 414 N LEU A 28 -3.567 4.797 -0.588 1.00 0.00 N ATOM 415 CA LEU A 28 -4.949 4.626 -0.193 1.00 0.00 C ATOM 416 C LEU A 28 -5.088 5.446 1.087 1.00 0.00 C ATOM 417 O LEU A 28 -4.632 5.002 2.147 1.00 0.00 O ATOM 418 CB LEU A 28 -5.239 3.126 0.040 1.00 0.00 C ATOM 419 CG LEU A 28 -5.059 2.209 -1.196 1.00 0.00 C ATOM 420 CD1 LEU A 28 -4.637 0.799 -0.771 1.00 0.00 C ATOM 421 CD2 LEU A 28 -6.326 2.143 -2.050 1.00 0.00 C ATOM 0 H LEU A 28 -2.923 4.757 0.202 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.661 4.958 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.585 2.767 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.263 3.024 0.400 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.269 2.648 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.517 0.173 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.692 0.849 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.402 0.370 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.155 1.489 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.148 1.750 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.580 3.143 -2.402 1.00 0.00 H new ATOM 433 N ARG A 29 -5.644 6.664 1.006 1.00 0.00 N ATOM 434 CA ARG A 29 -5.725 7.570 2.158 1.00 0.00 C ATOM 435 C ARG A 29 -6.505 6.937 3.303 1.00 0.00 C ATOM 436 O ARG A 29 -6.200 7.205 4.471 1.00 0.00 O ATOM 437 CB ARG A 29 -6.414 8.905 1.823 1.00 0.00 C ATOM 438 CG ARG A 29 -5.661 9.876 0.901 1.00 0.00 C ATOM 439 CD ARG A 29 -6.236 11.281 1.124 1.00 0.00 C ATOM 440 NE ARG A 29 -5.874 12.230 0.061 1.00 0.00 N ATOM 441 CZ ARG A 29 -5.994 13.561 0.126 1.00 0.00 C ATOM 442 NH1 ARG A 29 -6.321 14.165 1.267 1.00 0.00 N ATOM 443 NH2 ARG A 29 -5.809 14.270 -0.974 1.00 0.00 N ATOM 0 H ARG A 29 -6.046 7.044 0.149 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.691 7.759 2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.377 8.681 1.363 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.621 9.422 2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.594 9.861 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.775 9.578 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.322 11.216 1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.881 11.664 2.081 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.498 11.839 -0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.484 13.612 2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.408 15.181 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.580 13.801 -1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.896 15.286 -0.947 1.00 0.00 H new ATOM 457 N THR A 30 -7.542 6.161 2.987 1.00 0.00 N ATOM 458 CA THR A 30 -8.432 5.568 3.970 1.00 0.00 C ATOM 459 C THR A 30 -9.190 4.414 3.322 1.00 0.00 C ATOM 460 O THR A 30 -9.027 4.118 2.140 1.00 0.00 O ATOM 461 CB THR A 30 -9.343 6.653 4.586 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.094 6.170 5.680 1.00 0.00 O ATOM 463 CG2 THR A 30 -10.298 7.291 3.576 1.00 0.00 C ATOM 0 H THR A 30 -7.786 5.927 2.025 1.00 0.00 H new ATOM 0 HA THR A 30 -7.870 5.148 4.804 1.00 0.00 H new ATOM 0 HB THR A 30 -8.651 7.420 4.934 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.653 6.891 6.037 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.907 8.043 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.723 7.762 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.945 6.523 3.152 1.00 0.00 H new ATOM 471 N ASN A 31 -10.060 3.791 4.103 1.00 0.00 N ATOM 472 CA ASN A 31 -10.883 2.661 3.714 1.00 0.00 C ATOM 473 C ASN A 31 -11.774 2.970 2.508 1.00 0.00 C ATOM 474 O ASN A 31 -12.104 2.067 1.741 1.00 0.00 O ATOM 475 CB ASN A 31 -11.732 2.276 4.927 1.00 0.00 C ATOM 476 CG ASN A 31 -12.105 0.804 4.890 1.00 0.00 C ATOM 477 OD1 ASN A 31 -12.907 0.383 3.926 1.00 0.00 O flip ATOM 478 ND2 ASN A 31 -11.647 0.028 5.717 1.00 0.00 N flip ATOM 0 H ASN A 31 -10.217 4.075 5.070 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.239 1.837 3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.182 2.492 5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.637 2.883 4.948 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.030 0.372 6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.882 -0.964 5.671 1.00 0.00 H new ATOM 485 N ASP A 32 -12.162 4.234 2.313 1.00 0.00 N ATOM 486 CA ASP A 32 -12.945 4.652 1.147 1.00 0.00 C ATOM 487 C ASP A 32 -12.158 4.387 -0.131 1.00 0.00 C ATOM 488 O ASP A 32 -12.724 3.942 -1.121 1.00 0.00 O ATOM 489 CB ASP A 32 -13.259 6.152 1.149 1.00 0.00 C ATOM 490 CG ASP A 32 -14.000 6.668 2.373 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.074 6.117 2.697 1.00 0.00 O ATOM 492 OD2 ASP A 32 -13.498 7.647 2.973 1.00 0.00 O ATOM 0 H ASP A 32 -11.943 4.994 2.957 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.873 4.082 1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.322 6.701 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.852 6.382 0.264 1.00 0.00 H new ATOM 497 N ASP A 33 -10.850 4.665 -0.122 1.00 0.00 N ATOM 498 CA ASP A 33 -9.987 4.548 -1.294 1.00 0.00 C ATOM 499 C ASP A 33 -9.851 3.095 -1.726 1.00 0.00 C ATOM 500 O ASP A 33 -9.677 2.808 -2.910 1.00 0.00 O ATOM 501 CB ASP A 33 -8.593 5.123 -0.992 1.00 0.00 C ATOM 502 CG ASP A 33 -8.424 6.544 -1.482 1.00 0.00 C ATOM 503 OD1 ASP A 33 -8.866 6.865 -2.603 1.00 0.00 O ATOM 504 OD2 ASP A 33 -7.781 7.321 -0.740 1.00 0.00 O ATOM 0 H ASP A 33 -10.358 4.982 0.713 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.445 5.115 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.418 5.092 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.836 4.491 -1.457 1.00 0.00 H new ATOM 509 N TRP A 34 -9.924 2.178 -0.762 1.00 0.00 N ATOM 510 CA TRP A 34 -9.942 0.749 -1.011 1.00 0.00 C ATOM 511 C TRP A 34 -11.297 0.304 -1.555 1.00 0.00 C ATOM 512 O TRP A 34 -11.354 -0.481 -2.498 1.00 0.00 O ATOM 513 CB TRP A 34 -9.609 0.034 0.293 1.00 0.00 C ATOM 514 CG TRP A 34 -9.620 -1.451 0.196 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.665 -2.258 0.484 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.559 -2.315 -0.291 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.306 -3.566 0.236 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.003 -3.662 -0.199 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.268 -2.094 -0.810 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.182 -4.740 -0.544 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.441 -3.167 -1.187 1.00 0.00 C ATOM 522 CH2 TRP A 34 -6.891 -4.491 -1.043 1.00 0.00 C ATOM 0 H TRP A 34 -9.973 2.418 0.228 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.200 0.496 -1.769 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.624 0.357 0.630 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.324 0.342 1.056 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.627 -1.931 0.850 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -10.929 -4.364 0.360 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.907 -1.082 -0.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -8.536 -5.754 -0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.457 -2.973 -1.588 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -6.247 -5.314 -1.315 1.00 0.00 H new ATOM 533 N GLN A 35 -12.399 0.803 -0.990 1.00 0.00 N ATOM 534 CA GLN A 35 -13.734 0.481 -1.490 1.00 0.00 C ATOM 535 C GLN A 35 -13.905 1.001 -2.917 1.00 0.00 C ATOM 536 O GLN A 35 -14.546 0.344 -3.732 1.00 0.00 O ATOM 537 CB GLN A 35 -14.801 1.085 -0.570 1.00 0.00 C ATOM 538 CG GLN A 35 -14.818 0.445 0.826 1.00 0.00 C ATOM 539 CD GLN A 35 -15.612 -0.859 0.969 1.00 0.00 C ATOM 540 OE1 GLN A 35 -15.897 -1.271 2.089 1.00 0.00 O ATOM 541 NE2 GLN A 35 -15.967 -1.551 -0.105 1.00 0.00 N ATOM 0 H GLN A 35 -12.391 1.431 -0.186 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.854 -0.602 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.624 2.156 -0.471 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.781 0.965 -1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.788 0.252 1.126 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.224 1.171 1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.729 -1.207 -1.035 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.478 -2.428 -0.001 1.00 0.00 H new ATOM 550 N ARG A 36 -13.311 2.153 -3.227 1.00 0.00 N ATOM 551 CA ARG A 36 -13.253 2.719 -4.574 1.00 0.00 C ATOM 552 C ARG A 36 -12.523 1.797 -5.565 1.00 0.00 C ATOM 553 O ARG A 36 -12.770 1.925 -6.761 1.00 0.00 O ATOM 554 CB ARG A 36 -12.643 4.136 -4.514 1.00 0.00 C ATOM 555 CG ARG A 36 -13.667 5.157 -3.981 1.00 0.00 C ATOM 556 CD ARG A 36 -13.059 6.466 -3.458 1.00 0.00 C ATOM 557 NE ARG A 36 -14.130 7.384 -3.021 1.00 0.00 N ATOM 558 CZ ARG A 36 -14.107 8.210 -1.965 1.00 0.00 C ATOM 559 NH1 ARG A 36 -12.966 8.503 -1.346 1.00 0.00 N ATOM 560 NH2 ARG A 36 -15.252 8.732 -1.538 1.00 0.00 N ATOM 0 H ARG A 36 -12.845 2.733 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.269 2.803 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.763 4.130 -3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.310 4.435 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.372 5.393 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.238 4.692 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.387 6.257 -2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.462 6.937 -4.239 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.980 7.390 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.089 8.097 -1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.968 9.134 -0.544 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.125 8.502 -2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.257 9.363 -0.736 1.00 0.00 H new ATOM 574 N PHE A 37 -11.699 0.841 -5.116 1.00 0.00 N ATOM 575 CA PHE A 37 -11.122 -0.182 -5.986 1.00 0.00 C ATOM 576 C PHE A 37 -12.240 -1.080 -6.542 1.00 0.00 C ATOM 577 O PHE A 37 -12.608 -0.981 -7.710 1.00 0.00 O ATOM 578 CB PHE A 37 -10.015 -0.961 -5.246 1.00 0.00 C ATOM 579 CG PHE A 37 -8.989 -1.608 -6.161 1.00 0.00 C ATOM 580 CD1 PHE A 37 -9.372 -2.617 -7.066 1.00 0.00 C ATOM 581 CD2 PHE A 37 -7.646 -1.177 -6.133 1.00 0.00 C ATOM 582 CE1 PHE A 37 -8.434 -3.158 -7.959 1.00 0.00 C ATOM 583 CE2 PHE A 37 -6.704 -1.722 -7.023 1.00 0.00 C ATOM 584 CZ PHE A 37 -7.101 -2.707 -7.946 1.00 0.00 C ATOM 0 H PHE A 37 -11.416 0.758 -4.139 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.637 0.285 -6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -9.501 -0.282 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -10.478 -1.735 -4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.391 -2.976 -7.073 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.339 -0.423 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.736 -3.923 -8.659 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.678 -1.385 -6.998 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.384 -3.116 -8.643 1.00 0.00 H new ATOM 594 N CYS A 38 -12.826 -1.946 -5.709 1.00 0.00 N ATOM 595 CA CYS A 38 -13.853 -2.919 -6.109 1.00 0.00 C ATOM 596 C CYS A 38 -15.144 -2.267 -6.596 1.00 0.00 C ATOM 597 O CYS A 38 -15.917 -2.893 -7.320 1.00 0.00 O ATOM 598 CB CYS A 38 -14.139 -3.832 -4.917 1.00 0.00 C ATOM 599 SG CYS A 38 -14.698 -2.929 -3.442 1.00 0.00 S ATOM 0 H CYS A 38 -12.596 -1.993 -4.716 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.467 -3.487 -6.955 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -14.899 -4.560 -5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.237 -4.392 -4.672 1.00 0.00 H new ATOM 0 HG CYS A 38 -14.599 -1.650 -3.653 1.00 0.00 H new ATOM 605 N ALA A 39 -15.379 -1.011 -6.231 1.00 0.00 N ATOM 606 CA ALA A 39 -16.475 -0.224 -6.767 1.00 0.00 C ATOM 607 C ALA A 39 -16.313 -0.023 -8.267 1.00 0.00 C ATOM 608 O ALA A 39 -17.313 0.179 -8.960 1.00 0.00 O ATOM 609 CB ALA A 39 -16.503 1.151 -6.109 1.00 0.00 C ATOM 0 H ALA A 39 -14.808 -0.510 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.400 -0.764 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.329 1.733 -6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.637 1.037 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.563 1.667 -6.305 1.00 0.00 H new ATOM 615 N ASP A 40 -15.081 -0.023 -8.774 1.00 0.00 N ATOM 616 CA ASP A 40 -14.771 0.590 -10.060 1.00 0.00 C ATOM 617 C ASP A 40 -14.006 -0.316 -11.012 1.00 0.00 C ATOM 618 O ASP A 40 -14.042 -0.109 -12.224 1.00 0.00 O ATOM 619 CB ASP A 40 -14.037 1.914 -9.808 1.00 0.00 C ATOM 620 CG ASP A 40 -14.463 3.076 -10.689 1.00 0.00 C ATOM 621 OD1 ASP A 40 -15.507 2.996 -11.385 1.00 0.00 O ATOM 622 OD2 ASP A 40 -13.872 4.164 -10.536 1.00 0.00 O ATOM 0 H ASP A 40 -14.278 -0.445 -8.308 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.713 0.778 -10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.184 2.198 -8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.968 1.749 -9.946 1.00 0.00 H new ATOM 627 N SER A 41 -13.439 -1.383 -10.455 1.00 0.00 N ATOM 628 CA SER A 41 -12.783 -2.524 -11.084 1.00 0.00 C ATOM 629 C SER A 41 -12.622 -3.665 -10.064 1.00 0.00 C ATOM 630 O SER A 41 -11.666 -3.716 -9.292 1.00 0.00 O ATOM 631 CB SER A 41 -11.419 -2.118 -11.668 1.00 0.00 C ATOM 632 OG SER A 41 -11.563 -1.429 -12.904 1.00 0.00 O ATOM 0 H SER A 41 -13.428 -1.478 -9.440 1.00 0.00 H new ATOM 0 HA SER A 41 -13.406 -2.875 -11.906 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.892 -1.483 -10.956 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.806 -3.007 -11.816 1.00 0.00 H new ATOM 0 HG SER A 41 -12.376 -0.882 -12.881 1.00 0.00 H new ATOM 638 N LYS A 42 -13.539 -4.634 -10.075 1.00 0.00 N ATOM 639 CA LYS A 42 -13.407 -5.945 -9.430 1.00 0.00 C ATOM 640 C LYS A 42 -12.468 -6.803 -10.284 1.00 0.00 C ATOM 641 O LYS A 42 -12.863 -7.831 -10.835 1.00 0.00 O ATOM 642 CB LYS A 42 -14.792 -6.600 -9.318 1.00 0.00 C ATOM 643 CG LYS A 42 -15.639 -6.128 -8.137 1.00 0.00 C ATOM 644 CD LYS A 42 -17.118 -5.974 -8.517 1.00 0.00 C ATOM 645 CE LYS A 42 -17.760 -7.256 -9.066 1.00 0.00 C ATOM 646 NZ LYS A 42 -19.196 -7.044 -9.339 1.00 0.00 N ATOM 0 H LYS A 42 -14.433 -4.523 -10.554 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.995 -5.844 -8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -15.343 -6.409 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.661 -7.680 -9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.547 -6.840 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.256 -5.174 -7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.676 -5.648 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.210 -5.185 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.252 -7.560 -9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.637 -8.067 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.612 -7.922 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.681 -6.775 -8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.308 -6.285 -10.041 1.00 0.00 H new ATOM 660 N HIS A 43 -11.225 -6.374 -10.421 1.00 0.00 N ATOM 661 CA HIS A 43 -10.185 -7.049 -11.198 1.00 0.00 C ATOM 662 C HIS A 43 -8.856 -6.933 -10.439 1.00 0.00 C ATOM 663 O HIS A 43 -8.833 -6.435 -9.312 1.00 0.00 O ATOM 664 CB HIS A 43 -10.147 -6.403 -12.594 1.00 0.00 C ATOM 665 CG HIS A 43 -9.796 -7.271 -13.785 1.00 0.00 C ATOM 666 ND1 HIS A 43 -9.129 -8.471 -13.816 1.00 0.00 N flip ATOM 667 CD2 HIS A 43 -10.128 -6.951 -15.083 1.00 0.00 C flip ATOM 668 CE1 HIS A 43 -9.027 -8.866 -15.155 1.00 0.00 C flip ATOM 669 NE2 HIS A 43 -9.646 -7.920 -15.879 1.00 0.00 N flip ATOM 0 H HIS A 43 -10.895 -5.515 -9.980 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.385 -8.112 -11.329 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.126 -5.963 -12.782 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.430 -5.582 -12.560 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.677 -6.078 -15.403 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.545 -9.756 -15.531 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.738 -7.935 -16.895 1.00 0.00 H new ATOM 677 N LEU A 44 -7.750 -7.342 -11.068 1.00 0.00 N ATOM 678 CA LEU A 44 -6.408 -7.327 -10.492 1.00 0.00 C ATOM 679 C LEU A 44 -6.319 -8.177 -9.235 1.00 0.00 C ATOM 680 O LEU A 44 -7.113 -9.097 -9.048 1.00 0.00 O ATOM 681 CB LEU A 44 -5.826 -5.908 -10.438 1.00 0.00 C ATOM 682 CG LEU A 44 -5.543 -5.398 -11.855 1.00 0.00 C ATOM 683 CD1 LEU A 44 -5.602 -3.886 -11.833 1.00 0.00 C ATOM 684 CD2 LEU A 44 -4.161 -5.860 -12.304 1.00 0.00 C ATOM 0 H LEU A 44 -7.768 -7.703 -12.022 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.717 -7.837 -11.164 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.525 -5.239 -9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.907 -5.906 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.282 -5.791 -12.553 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.403 -3.500 -12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.592 -3.565 -11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.853 -3.503 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.965 -5.495 -13.312 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.407 -5.467 -11.622 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.122 -6.949 -12.299 1.00 0.00 H new ATOM 696 N LEU A 45 -5.323 -7.866 -8.401 1.00 0.00 N ATOM 697 CA LEU A 45 -5.200 -8.248 -7.006 1.00 0.00 C ATOM 698 C LEU A 45 -4.804 -9.703 -6.906 1.00 0.00 C ATOM 699 O LEU A 45 -5.623 -10.608 -6.740 1.00 0.00 O ATOM 700 CB LEU A 45 -6.491 -7.923 -6.256 1.00 0.00 C ATOM 701 CG LEU A 45 -6.865 -6.433 -6.368 1.00 0.00 C ATOM 702 CD1 LEU A 45 -8.311 -6.238 -5.910 1.00 0.00 C ATOM 703 CD2 LEU A 45 -5.944 -5.594 -5.471 1.00 0.00 C ATOM 0 H LEU A 45 -4.532 -7.302 -8.711 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.409 -7.671 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.304 -8.531 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.377 -8.190 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.754 -6.115 -7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.578 -5.184 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.975 -6.829 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.411 -6.562 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.214 -4.541 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.054 -5.915 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.909 -5.729 -5.785 1.00 0.00 H new ATOM 715 N GLN A 46 -3.500 -9.910 -7.011 1.00 0.00 N ATOM 716 CA GLN A 46 -2.897 -11.234 -7.041 1.00 0.00 C ATOM 717 C GLN A 46 -2.598 -11.691 -5.619 1.00 0.00 C ATOM 718 O GLN A 46 -2.316 -10.874 -4.742 1.00 0.00 O ATOM 719 CB GLN A 46 -1.616 -11.232 -7.887 1.00 0.00 C ATOM 720 CG GLN A 46 -1.839 -10.752 -9.329 1.00 0.00 C ATOM 721 CD GLN A 46 -1.578 -9.258 -9.510 1.00 0.00 C ATOM 722 OE1 GLN A 46 -0.459 -8.833 -9.770 1.00 0.00 O ATOM 723 NE2 GLN A 46 -2.591 -8.423 -9.463 1.00 0.00 N ATOM 0 H GLN A 46 -2.821 -9.152 -7.079 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.599 -11.930 -7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.875 -10.592 -7.409 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.201 -12.240 -7.907 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.185 -11.313 -9.997 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.864 -10.974 -9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.526 -8.768 -9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.442 -7.430 -9.642 1.00 0.00 H new ATOM 732 N TYR A 47 -2.597 -13.002 -5.391 1.00 0.00 N ATOM 733 CA TYR A 47 -2.192 -13.564 -4.110 1.00 0.00 C ATOM 734 C TYR A 47 -0.689 -13.392 -3.997 1.00 0.00 C ATOM 735 O TYR A 47 0.082 -14.169 -4.565 1.00 0.00 O ATOM 736 CB TYR A 47 -2.616 -15.029 -3.959 1.00 0.00 C ATOM 737 CG TYR A 47 -3.943 -15.381 -4.601 1.00 0.00 C ATOM 738 CD1 TYR A 47 -5.072 -14.562 -4.414 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.028 -16.501 -5.437 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.256 -14.798 -5.142 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.220 -16.776 -6.117 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.331 -15.914 -6.010 1.00 0.00 C ATOM 743 OH TYR A 47 -7.460 -16.216 -6.704 1.00 0.00 O ATOM 0 H TYR A 47 -2.875 -13.697 -6.084 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.694 -13.039 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.841 -15.662 -4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.668 -15.269 -2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.031 -13.746 -3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.175 -17.152 -5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.100 -14.132 -5.038 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.290 -17.661 -6.732 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.307 -17.019 -7.244 1.00 0.00 H new ATOM 753 N GLY A 48 -0.279 -12.294 -3.376 1.00 0.00 N ATOM 754 CA GLY A 48 1.072 -11.802 -3.494 1.00 0.00 C ATOM 755 C GLY A 48 1.170 -10.280 -3.563 1.00 0.00 C ATOM 756 O GLY A 48 2.288 -9.778 -3.559 1.00 0.00 O ATOM 0 H GLY A 48 -0.879 -11.725 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.653 -12.156 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.527 -12.227 -4.389 1.00 0.00 H new ATOM 760 N ASP A 49 0.053 -9.545 -3.619 1.00 0.00 N ATOM 761 CA ASP A 49 -0.005 -8.126 -4.013 1.00 0.00 C ATOM 762 C ASP A 49 0.590 -7.109 -3.023 1.00 0.00 C ATOM 763 O ASP A 49 0.659 -5.929 -3.359 1.00 0.00 O ATOM 764 CB ASP A 49 -1.475 -7.745 -4.299 1.00 0.00 C ATOM 765 CG ASP A 49 -1.719 -7.357 -5.756 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.170 -8.012 -6.664 1.00 0.00 O ATOM 767 OD2 ASP A 49 -2.494 -6.407 -5.996 1.00 0.00 O ATOM 0 H ASP A 49 -0.863 -9.929 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 49 0.633 -8.059 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.119 -8.585 -4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.761 -6.914 -3.655 1.00 0.00 H new ATOM 772 N LYS A 50 0.974 -7.556 -1.822 1.00 0.00 N ATOM 773 CA LYS A 50 1.467 -6.844 -0.628 1.00 0.00 C ATOM 774 C LYS A 50 0.700 -5.577 -0.230 1.00 0.00 C ATOM 775 O LYS A 50 0.567 -4.625 -0.998 1.00 0.00 O ATOM 776 CB LYS A 50 2.950 -6.470 -0.776 1.00 0.00 C ATOM 777 CG LYS A 50 3.669 -6.190 0.561 1.00 0.00 C ATOM 778 CD LYS A 50 4.547 -7.355 1.036 1.00 0.00 C ATOM 779 CE LYS A 50 5.823 -7.422 0.187 1.00 0.00 C ATOM 780 NZ LYS A 50 6.754 -8.474 0.632 1.00 0.00 N ATOM 0 H LYS A 50 0.943 -8.559 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 50 1.306 -7.569 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.467 -7.279 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.029 -5.587 -1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.288 -5.299 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.925 -5.970 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.805 -7.224 2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.997 -8.293 0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.552 -7.600 -0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.329 -6.457 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.597 -8.472 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.038 -8.293 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.285 -9.400 0.572 1.00 0.00 H new ATOM 794 N LEU A 51 0.340 -5.477 1.047 1.00 0.00 N ATOM 795 CA LEU A 51 -0.098 -4.232 1.667 1.00 0.00 C ATOM 796 C LEU A 51 0.890 -3.883 2.769 1.00 0.00 C ATOM 797 O LEU A 51 1.492 -4.778 3.366 1.00 0.00 O ATOM 798 CB LEU A 51 -1.534 -4.375 2.212 1.00 0.00 C ATOM 799 CG LEU A 51 -2.602 -3.848 1.238 1.00 0.00 C ATOM 800 CD1 LEU A 51 -3.991 -4.262 1.718 1.00 0.00 C ATOM 801 CD2 LEU A 51 -2.594 -2.320 1.141 1.00 0.00 C ATOM 0 H LEU A 51 0.345 -6.270 1.688 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.120 -3.426 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.732 -5.425 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.614 -3.836 3.156 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.370 -4.273 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.743 -3.886 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.051 -5.349 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.172 -3.847 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.365 -1.996 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.792 -1.892 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.619 -1.983 0.788 1.00 0.00 H new ATOM 813 N VAL A 52 1.016 -2.591 3.058 1.00 0.00 N ATOM 814 CA VAL A 52 1.691 -2.036 4.221 1.00 0.00 C ATOM 815 C VAL A 52 0.752 -0.972 4.778 1.00 0.00 C ATOM 816 O VAL A 52 0.095 -0.276 3.995 1.00 0.00 O ATOM 817 CB VAL A 52 3.083 -1.490 3.833 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.755 -0.676 4.950 1.00 0.00 C ATOM 819 CG2 VAL A 52 4.018 -2.657 3.498 1.00 0.00 C ATOM 0 H VAL A 52 0.628 -1.867 2.453 1.00 0.00 H new ATOM 0 HA VAL A 52 1.891 -2.785 4.987 1.00 0.00 H new ATOM 0 HB VAL A 52 2.919 -0.832 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.728 -0.324 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.129 0.179 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.885 -1.305 5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.000 -2.270 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.114 -3.308 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.607 -3.225 2.664 1.00 0.00 H new ATOM 829 N ASP A 53 0.663 -0.868 6.104 1.00 0.00 N ATOM 830 CA ASP A 53 -0.101 0.145 6.825 1.00 0.00 C ATOM 831 C ASP A 53 0.839 1.133 7.513 1.00 0.00 C ATOM 832 O ASP A 53 2.062 0.953 7.515 1.00 0.00 O ATOM 833 CB ASP A 53 -1.060 -0.528 7.825 1.00 0.00 C ATOM 834 CG ASP A 53 -0.480 -0.953 9.185 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.746 -1.122 9.329 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.282 -1.159 10.126 1.00 0.00 O ATOM 0 H ASP A 53 1.142 -1.516 6.730 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.705 0.712 6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.888 0.156 8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.479 -1.413 7.346 1.00 0.00 H new ATOM 841 N SER A 54 0.265 2.170 8.118 1.00 0.00 N ATOM 842 CA SER A 54 1.029 3.210 8.808 1.00 0.00 C ATOM 843 C SER A 54 1.871 2.686 9.983 1.00 0.00 C ATOM 844 O SER A 54 2.795 3.379 10.414 1.00 0.00 O ATOM 845 CB SER A 54 0.085 4.308 9.307 1.00 0.00 C ATOM 846 OG SER A 54 -0.127 5.325 8.345 1.00 0.00 O ATOM 0 H SER A 54 -0.744 2.314 8.145 1.00 0.00 H new ATOM 0 HA SER A 54 1.730 3.607 8.074 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.873 3.863 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.497 4.751 10.214 1.00 0.00 H new ATOM 0 HG SER A 54 -0.301 6.175 8.801 1.00 0.00 H new ATOM 852 N ASN A 55 1.593 1.483 10.491 1.00 0.00 N ATOM 853 CA ASN A 55 2.304 0.864 11.604 1.00 0.00 C ATOM 854 C ASN A 55 3.365 -0.127 11.106 1.00 0.00 C ATOM 855 O ASN A 55 3.935 -0.860 11.920 1.00 0.00 O ATOM 856 CB ASN A 55 1.303 0.190 12.554 1.00 0.00 C ATOM 857 CG ASN A 55 0.535 1.173 13.426 1.00 0.00 C ATOM 858 OD1 ASN A 55 1.074 2.151 13.924 1.00 0.00 O ATOM 859 ND2 ASN A 55 -0.749 0.961 13.640 1.00 0.00 N ATOM 0 H ASN A 55 0.842 0.897 10.125 1.00 0.00 H new ATOM 0 HA ASN A 55 2.832 1.642 12.156 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.594 -0.393 11.967 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.838 -0.510 13.195 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.284 1.610 14.217 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.207 0.148 13.229 1.00 0.00 H new ATOM 866 N PHE A 56 3.669 -0.140 9.801 1.00 0.00 N ATOM 867 CA PHE A 56 4.693 -0.967 9.165 1.00 0.00 C ATOM 868 C PHE A 56 4.367 -2.463 9.265 1.00 0.00 C ATOM 869 O PHE A 56 5.268 -3.298 9.205 1.00 0.00 O ATOM 870 CB PHE A 56 6.114 -0.611 9.667 1.00 0.00 C ATOM 871 CG PHE A 56 6.696 0.687 9.118 1.00 0.00 C ATOM 872 CD1 PHE A 56 6.043 1.922 9.301 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.903 0.657 8.386 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.568 3.095 8.731 1.00 0.00 C ATOM 875 CE2 PHE A 56 8.438 1.834 7.835 1.00 0.00 C ATOM 876 CZ PHE A 56 7.763 3.054 7.995 1.00 0.00 C ATOM 0 H PHE A 56 3.182 0.456 9.132 1.00 0.00 H new ATOM 0 HA PHE A 56 4.687 -0.735 8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.091 -0.547 10.755 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.787 -1.429 9.410 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.134 1.968 9.882 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.421 -0.281 8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.049 4.033 8.860 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.369 1.800 7.288 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.161 3.956 7.554 1.00 0.00 H new ATOM 886 N HIS A 57 3.100 -2.847 9.409 1.00 0.00 N ATOM 887 CA HIS A 57 2.700 -4.235 9.227 1.00 0.00 C ATOM 888 C HIS A 57 2.684 -4.521 7.727 1.00 0.00 C ATOM 889 O HIS A 57 1.880 -3.927 7.006 1.00 0.00 O ATOM 890 CB HIS A 57 1.336 -4.464 9.859 1.00 0.00 C ATOM 891 CG HIS A 57 1.282 -4.065 11.305 1.00 0.00 C ATOM 892 ND1 HIS A 57 0.445 -3.108 11.806 1.00 0.00 N ATOM 893 CD2 HIS A 57 2.075 -4.510 12.328 1.00 0.00 C ATOM 894 CE1 HIS A 57 0.680 -3.009 13.119 1.00 0.00 C ATOM 895 NE2 HIS A 57 1.658 -3.856 13.498 1.00 0.00 N ATOM 0 H HIS A 57 2.336 -2.215 9.651 1.00 0.00 H new ATOM 0 HA HIS A 57 3.399 -4.915 9.715 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.586 -3.900 9.304 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.073 -5.518 9.769 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -0.236 -2.567 11.274 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.875 -5.232 12.249 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.156 -2.340 13.786 1.00 0.00 H new ATOM 903 N CYS A 58 3.555 -5.407 7.231 1.00 0.00 N ATOM 904 CA CYS A 58 3.326 -5.995 5.921 1.00 0.00 C ATOM 905 C CYS A 58 2.184 -6.999 6.022 1.00 0.00 C ATOM 906 O CYS A 58 1.963 -7.642 7.055 1.00 0.00 O ATOM 907 CB CYS A 58 4.573 -6.704 5.368 1.00 0.00 C ATOM 908 SG CYS A 58 5.524 -5.605 4.294 1.00 0.00 S ATOM 0 H CYS A 58 4.401 -5.722 7.707 1.00 0.00 H new ATOM 0 HA CYS A 58 3.078 -5.186 5.234 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.199 -7.042 6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.273 -7.592 4.811 1.00 0.00 H new ATOM 0 HG CYS A 58 6.570 -6.234 3.847 1.00 0.00 H new ATOM 914 N PHE A 59 1.526 -7.190 4.889 1.00 0.00 N ATOM 915 CA PHE A 59 0.521 -8.197 4.642 1.00 0.00 C ATOM 916 C PHE A 59 0.757 -8.719 3.233 1.00 0.00 C ATOM 917 O PHE A 59 1.283 -7.991 2.392 1.00 0.00 O ATOM 918 CB PHE A 59 -0.871 -7.562 4.738 1.00 0.00 C ATOM 919 CG PHE A 59 -1.157 -6.893 6.064 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.588 -7.660 7.160 1.00 0.00 C ATOM 921 CD2 PHE A 59 -0.940 -5.511 6.217 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.729 -7.062 8.421 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.120 -4.905 7.467 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.477 -5.688 8.577 1.00 0.00 C ATOM 0 H PHE A 59 1.695 -6.606 4.070 1.00 0.00 H new ATOM 0 HA PHE A 59 0.581 -9.005 5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.978 -6.825 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.622 -8.332 4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.810 -8.709 7.031 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.634 -4.916 5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.031 -7.656 9.271 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.985 -3.839 7.577 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.558 -5.233 9.553 1.00 0.00 H new ATOM 934 N VAL A 60 0.286 -9.921 2.943 1.00 0.00 N ATOM 935 CA VAL A 60 0.181 -10.503 1.617 1.00 0.00 C ATOM 936 C VAL A 60 -1.264 -11.008 1.485 1.00 0.00 C ATOM 937 O VAL A 60 -1.921 -11.304 2.486 1.00 0.00 O ATOM 938 CB VAL A 60 1.277 -11.577 1.414 1.00 0.00 C ATOM 939 CG1 VAL A 60 1.108 -12.305 0.079 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.681 -10.943 1.372 1.00 0.00 C ATOM 0 H VAL A 60 -0.052 -10.552 3.669 1.00 0.00 H new ATOM 0 HA VAL A 60 0.365 -9.787 0.816 1.00 0.00 H new ATOM 0 HB VAL A 60 1.176 -12.265 2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.894 -13.052 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.135 -12.796 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.174 -11.587 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.428 -11.723 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.735 -10.233 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.874 -10.424 2.311 1.00 0.00 H new ATOM 950 N LEU A 61 -1.779 -10.977 0.255 1.00 0.00 N ATOM 951 CA LEU A 61 -3.123 -11.405 -0.122 1.00 0.00 C ATOM 952 C LEU A 61 -3.107 -12.897 -0.416 1.00 0.00 C ATOM 953 O LEU A 61 -2.131 -13.371 -0.995 1.00 0.00 O ATOM 954 CB LEU A 61 -3.524 -10.619 -1.382 1.00 0.00 C ATOM 955 CG LEU A 61 -4.919 -10.919 -1.962 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.022 -10.901 -0.900 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.249 -9.880 -3.042 1.00 0.00 C ATOM 0 H LEU A 61 -1.242 -10.636 -0.543 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.836 -11.217 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.471 -9.555 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.783 -10.815 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.885 -11.925 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.982 -11.119 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.809 -11.654 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.061 -9.917 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.236 -10.087 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.242 -8.883 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.504 -9.931 -3.836 1.00 0.00 H new ATOM 969 N GLU A 62 -4.180 -13.604 -0.069 1.00 0.00 N ATOM 970 CA GLU A 62 -4.291 -15.052 -0.202 1.00 0.00 C ATOM 971 C GLU A 62 -5.391 -15.411 -1.197 1.00 0.00 C ATOM 972 O GLU A 62 -6.254 -14.575 -1.489 1.00 0.00 O ATOM 973 CB GLU A 62 -4.544 -15.695 1.148 1.00 0.00 C ATOM 974 CG GLU A 62 -3.327 -15.472 2.054 1.00 0.00 C ATOM 975 CD GLU A 62 -2.376 -16.656 2.223 1.00 0.00 C ATOM 976 OE1 GLU A 62 -2.113 -17.358 1.220 1.00 0.00 O ATOM 977 OE2 GLU A 62 -1.834 -16.842 3.337 1.00 0.00 O ATOM 0 H GLU A 62 -5.017 -13.173 0.323 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.347 -15.440 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.436 -15.267 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.730 -16.762 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.757 -14.631 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.686 -15.179 3.041 1.00 0.00 H new ATOM 984 N GLU A 63 -5.421 -16.665 -1.660 1.00 0.00 N ATOM 985 CA GLU A 63 -6.502 -17.162 -2.512 1.00 0.00 C ATOM 986 C GLU A 63 -7.835 -17.268 -1.766 1.00 0.00 C ATOM 987 O GLU A 63 -8.901 -17.364 -2.380 1.00 0.00 O ATOM 988 CB GLU A 63 -6.124 -18.490 -3.172 1.00 0.00 C ATOM 989 CG GLU A 63 -5.936 -19.666 -2.205 1.00 0.00 C ATOM 990 CD GLU A 63 -6.771 -20.864 -2.646 1.00 0.00 C ATOM 991 OE1 GLU A 63 -6.413 -21.504 -3.660 1.00 0.00 O ATOM 992 OE2 GLU A 63 -7.834 -21.130 -2.043 1.00 0.00 O ATOM 0 H GLU A 63 -4.701 -17.358 -1.456 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.644 -16.423 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.898 -18.753 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.200 -18.349 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.883 -19.945 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.225 -19.365 -1.198 1.00 0.00 H new ATOM 999 N ASP A 64 -7.792 -17.199 -0.436 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.953 -17.144 0.451 1.00 0.00 C ATOM 1001 C ASP A 64 -9.534 -15.717 0.548 1.00 0.00 C ATOM 1002 O ASP A 64 -10.308 -15.399 1.452 1.00 0.00 O ATOM 1003 CB ASP A 64 -8.549 -17.719 1.812 1.00 0.00 C ATOM 1004 CG ASP A 64 -9.722 -18.186 2.676 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -10.878 -18.250 2.191 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -9.454 -18.574 3.834 1.00 0.00 O ATOM 0 H ASP A 64 -6.909 -17.179 0.074 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.761 -17.750 0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.875 -18.560 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.989 -16.962 2.361 1.00 0.00 H new ATOM 1011 N ALA A 65 -9.153 -14.838 -0.395 1.00 0.00 N ATOM 1012 CA ALA A 65 -9.548 -13.435 -0.496 1.00 0.00 C ATOM 1013 C ALA A 65 -9.459 -12.707 0.844 1.00 0.00 C ATOM 1014 O ALA A 65 -10.321 -11.888 1.184 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.913 -13.285 -1.188 1.00 0.00 C ATOM 0 H ALA A 65 -8.523 -15.111 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.824 -12.935 -1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.177 -12.229 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.859 -13.702 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.672 -13.817 -0.615 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.443 -13.040 1.629 1.00 0.00 N ATOM 1022 CA HIS A 66 -8.117 -12.343 2.851 1.00 0.00 C ATOM 1023 C HIS A 66 -6.665 -11.907 2.788 1.00 0.00 C ATOM 1024 O HIS A 66 -5.907 -12.331 1.916 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.490 -13.195 4.070 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.763 -14.506 4.240 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -8.299 -15.640 4.813 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -6.441 -14.767 3.993 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -7.320 -16.544 4.951 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -6.172 -16.060 4.445 1.00 0.00 N ATOM 0 H HIS A 66 -7.815 -13.817 1.424 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.708 -11.434 2.963 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.322 -12.596 4.965 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.559 -13.404 4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.734 -14.093 3.532 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.436 -17.518 5.402 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.276 -16.545 4.400 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.266 -11.083 3.744 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.892 -10.642 3.880 1.00 0.00 C ATOM 1040 C TRP A 67 -4.344 -11.266 5.150 1.00 0.00 C ATOM 1041 O TRP A 67 -4.978 -11.179 6.207 1.00 0.00 O ATOM 1042 CB TRP A 67 -4.839 -9.113 3.889 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.100 -8.492 2.547 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.296 -8.322 1.938 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.112 -8.054 1.578 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.113 -7.755 0.686 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -4.773 -7.554 0.419 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -2.708 -8.079 1.565 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.054 -7.049 -0.680 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -1.984 -7.608 0.464 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -2.649 -7.064 -0.647 1.00 0.00 C ATOM 0 H TRP A 67 -6.893 -10.700 4.451 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.273 -10.960 3.041 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.573 -8.737 4.602 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.858 -8.794 4.242 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.252 -8.589 2.364 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.870 -7.517 0.045 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.177 -8.469 2.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.576 -6.654 -1.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.905 -7.663 0.469 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.083 -6.659 -1.473 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.202 -11.936 5.036 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.514 -12.565 6.152 1.00 0.00 C ATOM 1064 C HIS A 68 -1.400 -11.627 6.645 1.00 0.00 C ATOM 1065 O HIS A 68 -0.796 -10.923 5.828 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.935 -13.922 5.705 1.00 0.00 C ATOM 1067 CG HIS A 68 -2.612 -15.097 6.359 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -3.913 -15.503 6.169 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -2.038 -15.966 7.244 1.00 0.00 C ATOM 1070 CE1 HIS A 68 -4.126 -16.578 6.938 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -3.019 -16.879 7.640 1.00 0.00 N ATOM 0 H HIS A 68 -2.721 -12.058 4.145 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.211 -12.745 6.971 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.030 -14.012 4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.870 -13.949 5.935 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.595 -15.063 5.551 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.011 -15.950 7.577 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.055 -17.126 6.988 1.00 0.00 H new ATOM 1079 N PRO A 69 -1.107 -11.595 7.958 1.00 0.00 N ATOM 1080 CA PRO A 69 -0.014 -10.814 8.515 1.00 0.00 C ATOM 1081 C PRO A 69 1.333 -11.423 8.144 1.00 0.00 C ATOM 1082 O PRO A 69 1.665 -12.542 8.551 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.254 -10.778 10.018 1.00 0.00 C ATOM 1084 CG PRO A 69 -1.055 -12.048 10.300 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.855 -12.256 9.019 1.00 0.00 C ATOM 0 HA PRO A 69 0.014 -9.801 8.115 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.685 -10.768 10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.806 -9.885 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.403 -12.896 10.508 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.707 -11.928 11.165 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.977 -13.318 8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.855 -11.832 9.112 1.00 0.00 H new ATOM 1093 N ALA A 70 2.103 -10.660 7.375 1.00 0.00 N ATOM 1094 CA ALA A 70 3.343 -11.073 6.732 1.00 0.00 C ATOM 1095 C ALA A 70 4.506 -10.228 7.268 1.00 0.00 C ATOM 1096 O ALA A 70 5.225 -9.585 6.497 1.00 0.00 O ATOM 1097 CB ALA A 70 3.173 -11.020 5.205 1.00 0.00 C ATOM 0 H ALA A 70 1.866 -9.688 7.174 1.00 0.00 H new ATOM 0 HA ALA A 70 3.586 -12.108 6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.101 -11.329 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.368 -11.691 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.929 -10.002 4.901 1.00 0.00 H new ATOM 1103 N ALA A 71 4.675 -10.278 8.596 1.00 0.00 N ATOM 1104 CA ALA A 71 5.691 -9.641 9.434 1.00 0.00 C ATOM 1105 C ALA A 71 5.577 -8.109 9.506 1.00 0.00 C ATOM 1106 O ALA A 71 5.047 -7.467 8.594 1.00 0.00 O ATOM 1107 CB ALA A 71 7.094 -10.098 9.001 1.00 0.00 C ATOM 0 H ALA A 71 4.032 -10.826 9.168 1.00 0.00 H new ATOM 0 HA ALA A 71 5.509 -9.974 10.456 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.843 -9.618 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.172 -11.180 9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.262 -9.820 7.961 1.00 0.00 H new ATOM 1113 N PRO A 72 6.106 -7.488 10.576 1.00 0.00 N ATOM 1114 CA PRO A 72 6.396 -6.067 10.568 1.00 0.00 C ATOM 1115 C PRO A 72 7.604 -5.777 9.683 1.00 0.00 C ATOM 1116 O PRO A 72 8.359 -6.674 9.290 1.00 0.00 O ATOM 1117 CB PRO A 72 6.721 -5.688 12.007 1.00 0.00 C ATOM 1118 CG PRO A 72 7.336 -6.979 12.548 1.00 0.00 C ATOM 1119 CD PRO A 72 6.559 -8.081 11.826 1.00 0.00 C ATOM 0 HA PRO A 72 5.551 -5.499 10.180 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.417 -4.851 12.061 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.830 -5.397 12.563 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.403 -7.035 12.333 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.224 -7.053 13.630 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.191 -8.949 11.641 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.715 -8.423 12.426 1.00 0.00 H new ATOM 1127 N LEU A 73 7.827 -4.492 9.437 1.00 0.00 N ATOM 1128 CA LEU A 73 8.745 -4.035 8.411 1.00 0.00 C ATOM 1129 C LEU A 73 9.774 -3.064 8.992 1.00 0.00 C ATOM 1130 O LEU A 73 9.399 -2.265 9.857 1.00 0.00 O ATOM 1131 CB LEU A 73 7.878 -3.378 7.323 1.00 0.00 C ATOM 1132 CG LEU A 73 8.466 -3.421 5.917 1.00 0.00 C ATOM 1133 CD1 LEU A 73 8.640 -4.877 5.458 1.00 0.00 C ATOM 1134 CD2 LEU A 73 7.536 -2.634 4.988 1.00 0.00 C ATOM 0 H LEU A 73 7.372 -3.736 9.949 1.00 0.00 H new ATOM 0 HA LEU A 73 9.323 -4.859 7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.905 -3.870 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.705 -2.337 7.597 1.00 0.00 H new ATOM 0 HG LEU A 73 9.456 -2.964 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.061 -4.894 4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.312 -5.396 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.671 -5.376 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.936 -2.650 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.545 -3.089 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.464 -1.603 5.333 1.00 0.00 H new ATOM 1146 N PRO A 74 11.038 -3.064 8.526 1.00 0.00 N ATOM 1147 CA PRO A 74 12.025 -2.103 8.997 1.00 0.00 C ATOM 1148 C PRO A 74 11.712 -0.685 8.500 1.00 0.00 C ATOM 1149 O PRO A 74 10.975 -0.525 7.523 1.00 0.00 O ATOM 1150 CB PRO A 74 13.372 -2.601 8.466 1.00 0.00 C ATOM 1151 CG PRO A 74 13.016 -3.424 7.235 1.00 0.00 C ATOM 1152 CD PRO A 74 11.647 -3.997 7.586 1.00 0.00 C ATOM 0 HA PRO A 74 12.027 -2.036 10.085 1.00 0.00 H new ATOM 0 HB2 PRO A 74 14.030 -1.770 8.211 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.893 -3.204 9.209 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.977 -2.809 6.336 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.747 -4.211 7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.031 -4.106 6.693 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.743 -4.988 8.030 1.00 0.00 H new ATOM 1160 N PRO A 75 12.341 0.351 9.082 1.00 0.00 N ATOM 1161 CA PRO A 75 12.221 1.730 8.616 1.00 0.00 C ATOM 1162 C PRO A 75 12.614 1.912 7.142 1.00 0.00 C ATOM 1163 O PRO A 75 12.044 2.765 6.457 1.00 0.00 O ATOM 1164 CB PRO A 75 13.114 2.551 9.557 1.00 0.00 C ATOM 1165 CG PRO A 75 14.012 1.543 10.269 1.00 0.00 C ATOM 1166 CD PRO A 75 13.161 0.282 10.281 1.00 0.00 C ATOM 0 HA PRO A 75 11.182 2.059 8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.707 3.276 8.999 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.514 3.113 10.273 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.951 1.392 9.737 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.266 1.869 11.278 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.785 -0.612 10.278 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.542 0.236 11.177 1.00 0.00 H new ATOM 1174 N GLU A 76 13.553 1.106 6.638 1.00 0.00 N ATOM 1175 CA GLU A 76 13.974 1.108 5.242 1.00 0.00 C ATOM 1176 C GLU A 76 13.026 0.300 4.349 1.00 0.00 C ATOM 1177 O GLU A 76 13.071 0.435 3.126 1.00 0.00 O ATOM 1178 CB GLU A 76 15.393 0.537 5.120 1.00 0.00 C ATOM 1179 CG GLU A 76 15.534 -0.892 5.657 1.00 0.00 C ATOM 1180 CD GLU A 76 16.816 -1.533 5.153 1.00 0.00 C ATOM 1181 OE1 GLU A 76 16.877 -1.964 3.982 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.814 -1.546 5.902 1.00 0.00 O ATOM 0 H GLU A 76 14.050 0.420 7.206 1.00 0.00 H new ATOM 0 HA GLU A 76 13.954 2.144 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.692 0.552 4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.083 1.187 5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.533 -0.878 6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.677 -1.489 5.346 1.00 0.00 H new ATOM 1189 N GLY A 77 12.172 -0.545 4.932 1.00 0.00 N ATOM 1190 CA GLY A 77 11.328 -1.437 4.158 1.00 0.00 C ATOM 1191 C GLY A 77 10.139 -0.708 3.537 1.00 0.00 C ATOM 1192 O GLY A 77 9.613 -1.137 2.511 1.00 0.00 O ATOM 0 H GLY A 77 12.052 -0.625 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.920 -1.902 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.965 -2.240 4.800 1.00 0.00 H new ATOM 1196 N LEU A 78 9.752 0.441 4.096 1.00 0.00 N ATOM 1197 CA LEU A 78 8.871 1.388 3.420 1.00 0.00 C ATOM 1198 C LEU A 78 9.561 1.924 2.163 1.00 0.00 C ATOM 1199 O LEU A 78 8.977 1.928 1.082 1.00 0.00 O ATOM 1200 CB LEU A 78 8.502 2.520 4.386 1.00 0.00 C ATOM 1201 CG LEU A 78 7.827 3.721 3.700 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.505 3.337 3.021 1.00 0.00 C ATOM 1203 CD2 LEU A 78 7.570 4.793 4.755 1.00 0.00 C ATOM 0 H LEU A 78 10.041 0.738 5.028 1.00 0.00 H new ATOM 0 HA LEU A 78 7.951 0.891 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.834 2.128 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.404 2.862 4.893 1.00 0.00 H new ATOM 0 HG LEU A 78 8.492 4.090 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.068 4.218 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.693 2.577 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.814 2.943 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.091 5.654 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.918 4.391 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.517 5.100 5.200 1.00 0.00 H new ATOM 1215 N ASN A 79 10.815 2.358 2.299 1.00 0.00 N ATOM 1216 CA ASN A 79 11.634 2.802 1.177 1.00 0.00 C ATOM 1217 C ASN A 79 11.701 1.736 0.073 1.00 0.00 C ATOM 1218 O ASN A 79 11.637 2.095 -1.095 1.00 0.00 O ATOM 1219 CB ASN A 79 13.042 3.201 1.666 1.00 0.00 C ATOM 1220 CG ASN A 79 13.319 4.686 1.512 1.00 0.00 C ATOM 1221 OD1 ASN A 79 13.845 5.121 0.492 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.986 5.493 2.507 1.00 0.00 N ATOM 0 H ASN A 79 11.292 2.411 3.199 1.00 0.00 H new ATOM 0 HA ASN A 79 11.164 3.683 0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.150 2.923 2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.789 2.637 1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.166 6.494 2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.550 5.114 3.347 1.00 0.00 H new ATOM 1229 N ASP A 80 11.767 0.441 0.408 1.00 0.00 N ATOM 1230 CA ASP A 80 11.781 -0.666 -0.566 1.00 0.00 C ATOM 1231 C ASP A 80 10.529 -0.709 -1.441 1.00 0.00 C ATOM 1232 O ASP A 80 10.617 -1.067 -2.619 1.00 0.00 O ATOM 1233 CB ASP A 80 11.884 -2.014 0.167 1.00 0.00 C ATOM 1234 CG ASP A 80 11.917 -3.191 -0.813 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.986 -3.377 -1.437 1.00 0.00 O ATOM 1236 OD2 ASP A 80 10.891 -3.891 -0.992 1.00 0.00 O ATOM 0 H ASP A 80 11.813 0.125 1.377 1.00 0.00 H new ATOM 0 HA ASP A 80 12.645 -0.491 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.785 -2.026 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.036 -2.127 0.843 1.00 0.00 H new ATOM 1241 N LEU A 81 9.374 -0.338 -0.884 1.00 0.00 N ATOM 1242 CA LEU A 81 8.141 -0.185 -1.644 1.00 0.00 C ATOM 1243 C LEU A 81 8.312 1.008 -2.577 1.00 0.00 C ATOM 1244 O LEU A 81 8.272 0.854 -3.795 1.00 0.00 O ATOM 1245 CB LEU A 81 6.931 0.005 -0.707 1.00 0.00 C ATOM 1246 CG LEU A 81 6.202 -1.293 -0.333 1.00 0.00 C ATOM 1247 CD1 LEU A 81 7.107 -2.332 0.336 1.00 0.00 C ATOM 1248 CD2 LEU A 81 5.077 -0.946 0.644 1.00 0.00 C ATOM 0 H LEU A 81 9.272 -0.136 0.110 1.00 0.00 H new ATOM 0 HA LEU A 81 7.945 -1.086 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.269 0.493 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.221 0.680 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 81 5.834 -1.732 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.525 -3.223 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.918 -2.598 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.522 -1.916 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.545 -1.855 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.500 -0.484 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.384 -0.251 0.169 1.00 0.00 H new ATOM 1260 N ILE A 82 8.475 2.206 -2.013 1.00 0.00 N ATOM 1261 CA ILE A 82 8.451 3.467 -2.761 1.00 0.00 C ATOM 1262 C ILE A 82 9.561 3.514 -3.824 1.00 0.00 C ATOM 1263 O ILE A 82 9.366 4.115 -4.878 1.00 0.00 O ATOM 1264 CB ILE A 82 8.482 4.655 -1.780 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.229 4.676 -0.866 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.664 5.993 -2.525 1.00 0.00 C ATOM 1267 CD1 ILE A 82 5.955 5.231 -1.523 1.00 0.00 C ATOM 0 H ILE A 82 8.629 2.331 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 82 7.519 3.539 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 82 9.349 4.520 -1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.030 3.660 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.453 5.272 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.682 6.811 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.603 5.976 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.836 6.139 -3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.135 5.205 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.127 6.260 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.698 4.623 -2.390 1.00 0.00 H new ATOM 1279 N ARG A 83 10.671 2.796 -3.623 1.00 0.00 N ATOM 1280 CA ARG A 83 11.711 2.543 -4.623 1.00 0.00 C ATOM 1281 C ARG A 83 11.093 2.156 -5.967 1.00 0.00 C ATOM 1282 O ARG A 83 11.557 2.650 -6.994 1.00 0.00 O ATOM 1283 CB ARG A 83 12.659 1.456 -4.076 1.00 0.00 C ATOM 1284 CG ARG A 83 13.863 2.036 -3.313 1.00 0.00 C ATOM 1285 CD ARG A 83 15.215 1.951 -4.054 1.00 0.00 C ATOM 1286 NE ARG A 83 16.325 1.820 -3.088 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.590 2.260 -3.177 1.00 0.00 C ATOM 1288 NH1 ARG A 83 18.015 2.942 -4.241 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.413 2.030 -2.161 1.00 0.00 N ATOM 0 H ARG A 83 10.876 2.359 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 83 12.288 3.450 -4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.101 0.795 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.020 0.847 -4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.658 3.082 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.955 1.513 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.212 1.098 -4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.359 2.843 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 83 16.097 1.322 -2.227 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.374 3.139 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.981 3.266 -4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.079 1.529 -1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.379 2.354 -2.204 1.00 0.00 H new ATOM 1303 N ALA A 84 10.053 1.324 -5.984 1.00 0.00 N ATOM 1304 CA ALA A 84 9.320 0.932 -7.184 1.00 0.00 C ATOM 1305 C ALA A 84 8.606 2.130 -7.824 1.00 0.00 C ATOM 1306 O ALA A 84 8.955 2.502 -8.942 1.00 0.00 O ATOM 1307 CB ALA A 84 8.395 -0.247 -6.853 1.00 0.00 C ATOM 0 H ALA A 84 9.687 0.891 -5.136 1.00 0.00 H new ATOM 0 HA ALA A 84 10.016 0.586 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.847 -0.541 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.991 -1.089 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.690 0.050 -6.077 1.00 0.00 H new ATOM 1313 N HIS A 85 7.643 2.749 -7.137 1.00 0.00 N ATOM 1314 CA HIS A 85 6.842 3.869 -7.655 1.00 0.00 C ATOM 1315 C HIS A 85 7.739 5.027 -8.122 1.00 0.00 C ATOM 1316 O HIS A 85 7.501 5.637 -9.155 1.00 0.00 O ATOM 1317 CB HIS A 85 5.837 4.296 -6.569 1.00 0.00 C ATOM 1318 CG HIS A 85 4.819 5.359 -6.943 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.432 5.259 -6.994 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.127 6.670 -7.179 1.00 0.00 C ATOM 1321 CE1 HIS A 85 2.941 6.479 -7.272 1.00 0.00 C ATOM 1322 NE2 HIS A 85 3.938 7.372 -7.352 1.00 0.00 N ATOM 0 H HIS A 85 7.390 2.483 -6.185 1.00 0.00 H new ATOM 0 HA HIS A 85 6.285 3.554 -8.538 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.294 3.408 -6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.402 4.657 -5.710 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.122 7.089 -7.223 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.895 6.707 -7.411 1.00 0.00 H new ATOM 0 HE2 HIS A 85 3.843 8.375 -7.510 1.00 0.00 H new ATOM 1330 N CYS A 86 8.807 5.334 -7.390 1.00 0.00 N ATOM 1331 CA CYS A 86 9.739 6.375 -7.788 1.00 0.00 C ATOM 1332 C CYS A 86 10.509 5.948 -9.033 1.00 0.00 C ATOM 1333 O CYS A 86 10.544 6.716 -9.992 1.00 0.00 O ATOM 1334 CB CYS A 86 10.688 6.673 -6.625 1.00 0.00 C ATOM 1335 SG CYS A 86 9.873 7.744 -5.416 1.00 0.00 S ATOM 0 H CYS A 86 9.046 4.871 -6.513 1.00 0.00 H new ATOM 0 HA CYS A 86 9.191 7.284 -8.035 1.00 0.00 H new ATOM 0 HB2 CYS A 86 10.995 5.742 -6.149 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.592 7.154 -6.998 1.00 0.00 H new ATOM 0 HG CYS A 86 10.757 8.214 -4.587 1.00 0.00 H new ATOM 1341 N ALA A 87 11.127 4.760 -9.041 1.00 0.00 N ATOM 1342 CA ALA A 87 11.958 4.340 -10.166 1.00 0.00 C ATOM 1343 C ALA A 87 11.137 4.146 -11.439 1.00 0.00 C ATOM 1344 O ALA A 87 11.644 4.394 -12.531 1.00 0.00 O ATOM 1345 CB ALA A 87 12.706 3.045 -9.831 1.00 0.00 C ATOM 0 H ALA A 87 11.065 4.079 -8.284 1.00 0.00 H new ATOM 0 HA ALA A 87 12.679 5.137 -10.347 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.320 2.749 -10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.344 3.208 -8.963 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.987 2.256 -9.610 1.00 0.00 H new ATOM 1351 N THR A 88 9.882 3.703 -11.325 1.00 0.00 N ATOM 1352 CA THR A 88 9.072 3.430 -12.500 1.00 0.00 C ATOM 1353 C THR A 88 8.689 4.761 -13.175 1.00 0.00 C ATOM 1354 O THR A 88 8.511 4.770 -14.396 1.00 0.00 O ATOM 1355 CB THR A 88 7.892 2.512 -12.113 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.428 1.752 -13.212 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.694 3.237 -11.502 1.00 0.00 C ATOM 0 H THR A 88 9.414 3.529 -10.436 1.00 0.00 H new ATOM 0 HA THR A 88 9.626 2.873 -13.256 1.00 0.00 H new ATOM 0 HB THR A 88 8.317 1.863 -11.347 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.589 1.306 -12.971 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.915 2.514 -11.262 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.005 3.751 -10.592 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.306 3.964 -12.215 1.00 0.00 H new ATOM 1365 N LEU A 89 8.588 5.861 -12.411 1.00 0.00 N ATOM 1366 CA LEU A 89 8.253 7.189 -12.915 1.00 0.00 C ATOM 1367 C LEU A 89 9.509 7.939 -13.346 1.00 0.00 C ATOM 1368 O LEU A 89 9.592 8.387 -14.487 1.00 0.00 O ATOM 1369 CB LEU A 89 7.495 7.991 -11.837 1.00 0.00 C ATOM 1370 CG LEU A 89 6.092 7.434 -11.525 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.498 8.189 -10.339 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.128 7.547 -12.710 1.00 0.00 C ATOM 0 H LEU A 89 8.742 5.844 -11.403 1.00 0.00 H new ATOM 0 HA LEU A 89 7.610 7.073 -13.787 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.085 8.000 -10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.401 9.026 -12.165 1.00 0.00 H new ATOM 0 HG LEU A 89 6.215 6.375 -11.298 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.506 7.796 -10.117 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.141 8.063 -9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.422 9.249 -10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.157 7.139 -12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.014 8.595 -12.988 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.526 6.988 -13.557 1.00 0.00 H new ATOM 1384 N GLY A 90 10.472 8.100 -12.437 1.00 0.00 N ATOM 1385 CA GLY A 90 11.647 8.929 -12.645 1.00 0.00 C ATOM 1386 C GLY A 90 12.114 9.688 -11.399 1.00 0.00 C ATOM 1387 O GLY A 90 12.969 10.566 -11.543 1.00 0.00 O ATOM 0 H GLY A 90 10.451 7.648 -11.523 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.463 8.299 -12.999 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.434 9.649 -13.435 1.00 0.00 H new ATOM 1391 N HIS A 91 11.579 9.421 -10.202 1.00 0.00 N ATOM 1392 CA HIS A 91 11.899 10.218 -9.017 1.00 0.00 C ATOM 1393 C HIS A 91 13.024 9.589 -8.194 1.00 0.00 C ATOM 1394 O HIS A 91 13.196 8.370 -8.163 1.00 0.00 O ATOM 1395 CB HIS A 91 10.638 10.446 -8.167 1.00 0.00 C ATOM 1396 CG HIS A 91 9.986 11.759 -8.507 1.00 0.00 C ATOM 1397 ND1 HIS A 91 10.273 12.998 -7.962 1.00 0.00 N ATOM 1398 CD2 HIS A 91 9.091 11.943 -9.523 1.00 0.00 C ATOM 1399 CE1 HIS A 91 9.532 13.906 -8.618 1.00 0.00 C ATOM 1400 NE2 HIS A 91 8.824 13.317 -9.596 1.00 0.00 N ATOM 0 H HIS A 91 10.923 8.659 -10.031 1.00 0.00 H new ATOM 0 HA HIS A 91 12.263 11.188 -9.355 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.932 9.632 -8.332 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.901 10.430 -7.109 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.668 11.174 -10.152 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.509 14.962 -8.391 1.00 0.00 H new ATOM 0 HE2 HIS A 91 8.209 13.781 -10.264 1.00 0.00 H new ATOM 1408 N CYS A 92 13.767 10.430 -7.472 1.00 0.00 N ATOM 1409 CA CYS A 92 14.740 10.044 -6.470 1.00 0.00 C ATOM 1410 C CYS A 92 14.924 11.197 -5.469 1.00 0.00 C ATOM 1411 O CYS A 92 15.803 12.046 -5.645 1.00 0.00 O ATOM 1412 CB CYS A 92 16.046 9.614 -7.154 1.00 0.00 C ATOM 1413 SG CYS A 92 16.868 8.375 -6.121 1.00 0.00 S ATOM 0 H CYS A 92 13.697 11.442 -7.581 1.00 0.00 H new ATOM 0 HA CYS A 92 14.391 9.182 -5.901 1.00 0.00 H new ATOM 0 HB2 CYS A 92 15.837 9.203 -8.142 1.00 0.00 H new ATOM 0 HB3 CYS A 92 16.697 10.476 -7.299 1.00 0.00 H new ATOM 0 HG CYS A 92 17.975 8.001 -6.690 1.00 0.00 H new ATOM 1419 N CYS A 93 14.091 11.160 -4.422 1.00 0.00 N ATOM 1420 CA CYS A 93 13.981 12.002 -3.227 1.00 0.00 C ATOM 1421 C CYS A 93 14.021 13.525 -3.430 1.00 0.00 C ATOM 1422 O CYS A 93 14.151 14.031 -4.542 1.00 0.00 O ATOM 1423 CB CYS A 93 14.940 11.495 -2.138 1.00 0.00 C ATOM 1424 SG CYS A 93 16.671 11.765 -2.568 1.00 0.00 S ATOM 0 H CYS A 93 13.377 10.433 -4.392 1.00 0.00 H new ATOM 0 HA CYS A 93 12.952 11.879 -2.888 1.00 0.00 H new ATOM 0 HB2 CYS A 93 14.719 12.001 -1.198 1.00 0.00 H new ATOM 0 HB3 CYS A 93 14.770 10.431 -1.975 1.00 0.00 H new ATOM 0 HG CYS A 93 16.772 11.981 -3.846 1.00 0.00 H new ATOM 1430 N THR A 94 13.803 14.255 -2.335 1.00 0.00 N ATOM 1431 CA THR A 94 13.696 15.701 -2.226 1.00 0.00 C ATOM 1432 C THR A 94 13.761 16.046 -0.722 1.00 0.00 C ATOM 1433 O THR A 94 12.750 16.321 -0.071 1.00 0.00 O ATOM 1434 CB THR A 94 12.441 16.190 -2.993 1.00 0.00 C ATOM 1435 OG1 THR A 94 12.340 17.596 -2.942 1.00 0.00 O ATOM 1436 CG2 THR A 94 11.094 15.560 -2.610 1.00 0.00 C ATOM 0 H THR A 94 13.688 13.806 -1.427 1.00 0.00 H new ATOM 0 HA THR A 94 14.515 16.239 -2.703 1.00 0.00 H new ATOM 0 HB THR A 94 12.622 15.837 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.543 17.885 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.303 15.992 -3.223 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.135 14.484 -2.777 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.886 15.756 -1.558 1.00 0.00 H new ATOM 1444 N SER A 95 14.971 16.004 -0.152 1.00 0.00 N ATOM 1445 CA SER A 95 15.300 16.203 1.263 1.00 0.00 C ATOM 1446 C SER A 95 14.856 15.019 2.142 1.00 0.00 C ATOM 1447 O SER A 95 13.808 14.415 1.908 1.00 0.00 O ATOM 1448 CB SER A 95 14.739 17.552 1.766 1.00 0.00 C ATOM 1449 OG SER A 95 15.478 18.063 2.862 1.00 0.00 O ATOM 0 H SER A 95 15.805 15.817 -0.708 1.00 0.00 H new ATOM 0 HA SER A 95 16.386 16.242 1.348 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.753 18.276 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.697 17.423 2.060 1.00 0.00 H new ATOM 0 HG SER A 95 15.091 18.917 3.148 1.00 0.00 H new ATOM 1455 N LYS A 96 15.639 14.717 3.188 1.00 0.00 N ATOM 1456 CA LYS A 96 15.473 13.574 4.098 1.00 0.00 C ATOM 1457 C LYS A 96 15.618 12.235 3.365 1.00 0.00 C ATOM 1458 O LYS A 96 15.856 12.201 2.155 1.00 0.00 O ATOM 1459 CB LYS A 96 14.166 13.724 4.905 1.00 0.00 C ATOM 1460 CG LYS A 96 14.113 12.885 6.199 1.00 0.00 C ATOM 1461 CD LYS A 96 13.372 13.645 7.299 1.00 0.00 C ATOM 1462 CE LYS A 96 11.866 13.587 7.058 1.00 0.00 C ATOM 1463 NZ LYS A 96 11.164 14.718 7.688 1.00 0.00 N ATOM 0 H LYS A 96 16.445 15.292 3.434 1.00 0.00 H new ATOM 0 HA LYS A 96 16.284 13.572 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.031 14.775 5.162 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.327 13.442 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.613 11.936 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 96 15.125 12.650 6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.609 13.214 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.704 14.683 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.670 13.590 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.471 12.650 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.144 14.641 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.330 14.701 8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.522 15.612 7.294 1.00 0.00 H new ATOM 1477 N MET A 97 15.536 11.124 4.098 1.00 0.00 N ATOM 1478 CA MET A 97 15.820 9.768 3.633 1.00 0.00 C ATOM 1479 C MET A 97 14.685 9.208 2.763 1.00 0.00 C ATOM 1480 O MET A 97 14.043 8.205 3.085 1.00 0.00 O ATOM 1481 CB MET A 97 16.150 8.861 4.829 1.00 0.00 C ATOM 1482 CG MET A 97 15.122 8.902 5.966 1.00 0.00 C ATOM 1483 SD MET A 97 15.131 7.400 6.973 1.00 0.00 S ATOM 1484 CE MET A 97 14.060 6.349 5.954 1.00 0.00 C ATOM 0 H MET A 97 15.256 11.148 5.079 1.00 0.00 H new ATOM 0 HA MET A 97 16.697 9.801 2.986 1.00 0.00 H new ATOM 0 HB2 MET A 97 16.240 7.834 4.475 1.00 0.00 H new ATOM 0 HB3 MET A 97 17.124 9.147 5.227 1.00 0.00 H new ATOM 0 HG2 MET A 97 15.326 9.762 6.603 1.00 0.00 H new ATOM 0 HG3 MET A 97 14.127 9.046 5.545 1.00 0.00 H new ATOM 0 HE1 MET A 97 13.952 5.373 6.427 1.00 0.00 H new ATOM 0 HE2 MET A 97 13.080 6.815 5.856 1.00 0.00 H new ATOM 0 HE3 MET A 97 14.504 6.227 4.966 1.00 0.00 H new ATOM 1494 N HIS A 98 14.432 9.862 1.632 1.00 0.00 N ATOM 1495 CA HIS A 98 13.277 9.668 0.773 1.00 0.00 C ATOM 1496 C HIS A 98 11.995 10.085 1.504 1.00 0.00 C ATOM 1497 O HIS A 98 11.432 11.123 1.169 1.00 0.00 O ATOM 1498 CB HIS A 98 13.250 8.259 0.143 1.00 0.00 C ATOM 1499 CG HIS A 98 13.162 8.243 -1.365 1.00 0.00 C ATOM 1500 ND1 HIS A 98 13.846 7.384 -2.202 1.00 0.00 N ATOM 1501 CD2 HIS A 98 12.388 9.054 -2.152 1.00 0.00 C ATOM 1502 CE1 HIS A 98 13.517 7.692 -3.465 1.00 0.00 C ATOM 1503 NE2 HIS A 98 12.650 8.715 -3.483 1.00 0.00 N ATOM 0 H HIS A 98 15.064 10.579 1.275 1.00 0.00 H new ATOM 0 HA HIS A 98 13.353 10.331 -0.089 1.00 0.00 H new ATOM 0 HB2 HIS A 98 14.149 7.723 0.447 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.400 7.711 0.549 1.00 0.00 H new ATOM 0 HD1 HIS A 98 14.488 6.646 -1.911 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.702 9.814 -1.808 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.896 7.188 -4.342 1.00 0.00 H new ATOM 1511 N LEU A 99 11.518 9.320 2.485 1.00 0.00 N ATOM 1512 CA LEU A 99 10.254 9.539 3.174 1.00 0.00 C ATOM 1513 C LEU A 99 10.424 9.075 4.603 1.00 0.00 C ATOM 1514 O LEU A 99 10.958 7.991 4.838 1.00 0.00 O ATOM 1515 CB LEU A 99 9.138 8.723 2.505 1.00 0.00 C ATOM 1516 CG LEU A 99 8.810 9.194 1.078 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.948 8.131 0.420 1.00 0.00 C ATOM 1518 CD2 LEU A 99 8.114 10.557 1.056 1.00 0.00 C ATOM 0 H LEU A 99 12.021 8.503 2.831 1.00 0.00 H new ATOM 0 HA LEU A 99 9.983 10.594 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.433 7.674 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.237 8.784 3.116 1.00 0.00 H new ATOM 0 HG LEU A 99 9.740 9.327 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.700 8.441 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.494 7.188 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.030 8.000 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.905 10.842 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.179 10.497 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.762 11.304 1.515 1.00 0.00 H new ATOM 1530 N HIS A 100 9.948 9.893 5.540 1.00 0.00 N ATOM 1531 CA HIS A 100 10.000 9.589 6.959 1.00 0.00 C ATOM 1532 C HIS A 100 9.192 8.321 7.268 1.00 0.00 C ATOM 1533 O HIS A 100 9.616 7.443 8.022 1.00 0.00 O ATOM 1534 CB HIS A 100 9.428 10.794 7.716 1.00 0.00 C ATOM 1535 CG HIS A 100 9.564 10.793 9.214 1.00 0.00 C ATOM 1536 ND1 HIS A 100 8.583 10.423 10.105 1.00 0.00 N ATOM 1537 CD2 HIS A 100 10.587 11.351 9.931 1.00 0.00 C ATOM 1538 CE1 HIS A 100 9.010 10.741 11.337 1.00 0.00 C ATOM 1539 NE2 HIS A 100 10.214 11.339 11.279 1.00 0.00 N ATOM 0 H HIS A 100 9.513 10.791 5.329 1.00 0.00 H new ATOM 0 HA HIS A 100 11.028 9.403 7.269 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.911 11.693 7.334 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.368 10.873 7.473 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.514 11.732 9.529 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.464 10.544 12.248 1.00 0.00 H new ATOM 0 HE2 HIS A 100 10.749 11.710 12.064 1.00 0.00 H new ATOM 1547 N SER A 101 7.967 8.265 6.744 1.00 0.00 N ATOM 1548 CA SER A 101 6.952 7.266 7.095 1.00 0.00 C ATOM 1549 C SER A 101 5.807 7.244 6.062 1.00 0.00 C ATOM 1550 O SER A 101 5.850 7.983 5.077 1.00 0.00 O ATOM 1551 CB SER A 101 6.375 7.555 8.486 1.00 0.00 C ATOM 1552 OG SER A 101 7.323 7.941 9.464 1.00 0.00 O ATOM 0 H SER A 101 7.642 8.932 6.043 1.00 0.00 H new ATOM 0 HA SER A 101 7.439 6.291 7.097 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.629 8.344 8.395 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.856 6.664 8.839 1.00 0.00 H new ATOM 0 HG SER A 101 7.531 8.893 9.360 1.00 0.00 H new ATOM 1558 N VAL A 102 4.779 6.405 6.265 1.00 0.00 N ATOM 1559 CA VAL A 102 3.672 6.234 5.319 1.00 0.00 C ATOM 1560 C VAL A 102 2.869 7.528 5.189 1.00 0.00 C ATOM 1561 O VAL A 102 2.463 7.856 4.077 1.00 0.00 O ATOM 1562 CB VAL A 102 2.765 5.055 5.740 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.585 4.837 4.775 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.571 3.748 5.828 1.00 0.00 C ATOM 0 H VAL A 102 4.695 5.823 7.098 1.00 0.00 H new ATOM 0 HA VAL A 102 4.091 5.998 4.341 1.00 0.00 H new ATOM 0 HB VAL A 102 2.365 5.321 6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.983 3.997 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.969 5.736 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.966 4.624 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.911 2.933 6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.008 3.524 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.366 3.860 6.566 1.00 0.00 H new ATOM 1574 N MET A 103 2.654 8.277 6.278 1.00 0.00 N ATOM 1575 CA MET A 103 1.951 9.559 6.224 1.00 0.00 C ATOM 1576 C MET A 103 2.598 10.441 5.153 1.00 0.00 C ATOM 1577 O MET A 103 1.923 10.953 4.258 1.00 0.00 O ATOM 1578 CB MET A 103 1.989 10.238 7.606 1.00 0.00 C ATOM 1579 CG MET A 103 1.184 11.546 7.646 1.00 0.00 C ATOM 1580 SD MET A 103 -0.468 11.477 8.388 1.00 0.00 S ATOM 1581 CE MET A 103 -1.281 10.211 7.380 1.00 0.00 C ATOM 0 H MET A 103 2.961 8.011 7.214 1.00 0.00 H new ATOM 0 HA MET A 103 0.905 9.400 5.960 1.00 0.00 H new ATOM 0 HB2 MET A 103 1.595 9.551 8.355 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.024 10.445 7.876 1.00 0.00 H new ATOM 0 HG2 MET A 103 1.769 12.287 8.191 1.00 0.00 H new ATOM 0 HG3 MET A 103 1.081 11.911 6.624 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.333 10.145 7.658 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.200 10.478 6.326 1.00 0.00 H new ATOM 0 HE3 MET A 103 -0.800 9.248 7.548 1.00 0.00 H new ATOM 1591 N ASP A 104 3.920 10.561 5.228 1.00 0.00 N ATOM 1592 CA ASP A 104 4.726 11.412 4.371 1.00 0.00 C ATOM 1593 C ASP A 104 4.668 10.918 2.929 1.00 0.00 C ATOM 1594 O ASP A 104 4.648 11.721 2.001 1.00 0.00 O ATOM 1595 CB ASP A 104 6.178 11.419 4.875 1.00 0.00 C ATOM 1596 CG ASP A 104 6.291 12.030 6.273 1.00 0.00 C ATOM 1597 OD1 ASP A 104 5.880 11.383 7.261 1.00 0.00 O ATOM 1598 OD2 ASP A 104 6.780 13.184 6.376 1.00 0.00 O ATOM 0 H ASP A 104 4.475 10.048 5.913 1.00 0.00 H new ATOM 0 HA ASP A 104 4.332 12.428 4.402 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.562 10.399 4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.801 11.982 4.181 1.00 0.00 H new ATOM 1603 N ALA A 105 4.623 9.599 2.730 1.00 0.00 N ATOM 1604 CA ALA A 105 4.486 9.001 1.411 1.00 0.00 C ATOM 1605 C ALA A 105 3.173 9.432 0.763 1.00 0.00 C ATOM 1606 O ALA A 105 3.167 9.842 -0.393 1.00 0.00 O ATOM 1607 CB ALA A 105 4.531 7.468 1.531 1.00 0.00 C ATOM 0 H ALA A 105 4.681 8.917 3.486 1.00 0.00 H new ATOM 0 HA ALA A 105 5.311 9.340 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.428 7.022 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.482 7.165 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.714 7.129 2.168 1.00 0.00 H new ATOM 1613 N ILE A 106 2.062 9.333 1.495 1.00 0.00 N ATOM 1614 CA ILE A 106 0.747 9.679 0.966 1.00 0.00 C ATOM 1615 C ILE A 106 0.693 11.189 0.656 1.00 0.00 C ATOM 1616 O ILE A 106 -0.052 11.621 -0.229 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.337 9.246 1.979 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.321 7.726 2.251 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -1.758 9.694 1.593 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.847 6.811 1.152 1.00 0.00 C ATOM 0 H ILE A 106 2.050 9.013 2.463 1.00 0.00 H new ATOM 0 HA ILE A 106 0.558 9.151 0.031 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.070 9.766 2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.706 7.434 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.904 7.539 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.465 9.354 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.791 10.782 1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.026 9.264 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.777 5.773 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.888 7.056 0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.253 6.949 0.249 1.00 0.00 H new ATOM 1632 N ASP A 107 1.467 12.011 1.372 1.00 0.00 N ATOM 1633 CA ASP A 107 1.592 13.435 1.077 1.00 0.00 C ATOM 1634 C ASP A 107 2.364 13.618 -0.237 1.00 0.00 C ATOM 1635 O ASP A 107 1.915 14.348 -1.125 1.00 0.00 O ATOM 1636 CB ASP A 107 2.257 14.177 2.244 1.00 0.00 C ATOM 1637 CG ASP A 107 1.878 15.662 2.276 1.00 0.00 C ATOM 1638 OD1 ASP A 107 2.103 16.366 1.269 1.00 0.00 O ATOM 1639 OD2 ASP A 107 1.283 16.126 3.278 1.00 0.00 O ATOM 0 H ASP A 107 2.022 11.705 2.171 1.00 0.00 H new ATOM 0 HA ASP A 107 0.600 13.870 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.965 13.709 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.340 14.082 2.163 1.00 0.00 H new ATOM 1644 N PHE A 108 3.504 12.931 -0.370 1.00 0.00 N ATOM 1645 CA PHE A 108 4.396 12.970 -1.529 1.00 0.00 C ATOM 1646 C PHE A 108 3.669 12.568 -2.814 1.00 0.00 C ATOM 1647 O PHE A 108 3.515 13.398 -3.706 1.00 0.00 O ATOM 1648 CB PHE A 108 5.633 12.077 -1.294 1.00 0.00 C ATOM 1649 CG PHE A 108 6.668 12.069 -2.417 1.00 0.00 C ATOM 1650 CD1 PHE A 108 6.996 13.248 -3.115 1.00 0.00 C ATOM 1651 CD2 PHE A 108 7.312 10.868 -2.778 1.00 0.00 C ATOM 1652 CE1 PHE A 108 7.936 13.226 -4.160 1.00 0.00 C ATOM 1653 CE2 PHE A 108 8.268 10.852 -3.811 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.577 12.029 -4.511 1.00 0.00 C ATOM 0 H PHE A 108 3.843 12.306 0.361 1.00 0.00 H new ATOM 0 HA PHE A 108 4.732 13.999 -1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 108 6.123 12.401 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.294 11.054 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.520 14.179 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 108 7.070 9.953 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.166 14.135 -4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.767 9.929 -4.067 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.301 12.013 -5.312 1.00 0.00 H new ATOM 1664 N LEU A 109 3.216 11.311 -2.913 1.00 0.00 N ATOM 1665 CA LEU A 109 2.584 10.716 -4.076 1.00 0.00 C ATOM 1666 C LEU A 109 1.462 11.560 -4.669 1.00 0.00 C ATOM 1667 O LEU A 109 1.308 11.581 -5.891 1.00 0.00 O ATOM 1668 CB LEU A 109 2.078 9.321 -3.680 1.00 0.00 C ATOM 1669 CG LEU A 109 3.161 8.238 -3.792 1.00 0.00 C ATOM 1670 CD1 LEU A 109 4.263 8.213 -2.737 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.502 6.856 -3.782 1.00 0.00 C ATOM 0 H LEU A 109 3.289 10.654 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 109 3.329 10.650 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.707 9.352 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.235 9.052 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 109 3.661 8.497 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.951 7.395 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.806 9.158 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.820 8.068 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.270 6.086 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.950 6.723 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.817 6.774 -4.626 1.00 0.00 H new ATOM 1683 N ASN A 110 0.712 12.283 -3.837 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.342 13.152 -4.347 1.00 0.00 C ATOM 1685 C ASN A 110 0.206 14.247 -5.241 1.00 0.00 C ATOM 1686 O ASN A 110 -0.365 14.540 -6.296 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.123 13.803 -3.194 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.320 13.033 -2.671 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.026 13.548 -1.805 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.547 11.802 -3.087 1.00 0.00 N ATOM 0 H ASN A 110 0.814 12.284 -2.822 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.006 12.518 -4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.434 13.968 -2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.465 14.784 -3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.317 11.263 -2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.953 11.389 -3.806 1.00 0.00 H new ATOM 1697 N ALA A 111 1.289 14.876 -4.797 1.00 0.00 N ATOM 1698 CA ALA A 111 1.853 16.037 -5.454 1.00 0.00 C ATOM 1699 C ALA A 111 2.760 15.682 -6.636 1.00 0.00 C ATOM 1700 O ALA A 111 3.211 16.582 -7.350 1.00 0.00 O ATOM 1701 CB ALA A 111 2.669 16.792 -4.413 1.00 0.00 C ATOM 0 H ALA A 111 1.800 14.587 -3.963 1.00 0.00 H new ATOM 0 HA ALA A 111 1.035 16.633 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.112 17.677 -4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.020 17.094 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.460 16.146 -4.032 1.00 0.00 H new ATOM 1707 N LEU A 112 3.073 14.402 -6.821 1.00 0.00 N ATOM 1708 CA LEU A 112 3.885 13.841 -7.814 1.00 0.00 C ATOM 1709 C LEU A 112 3.002 13.537 -9.007 1.00 0.00 C ATOM 1710 O LEU A 112 3.352 13.903 -10.124 1.00 0.00 O ATOM 1711 CB LEU A 112 4.465 12.622 -7.073 1.00 0.00 C ATOM 1712 CG LEU A 112 4.829 11.455 -7.947 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.848 11.930 -8.962 1.00 0.00 C ATOM 1714 CD2 LEU A 112 5.440 10.334 -7.105 1.00 0.00 C ATOM 0 H LEU A 112 2.708 13.685 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 112 4.691 14.447 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.354 12.938 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.739 12.288 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 112 3.938 11.071 -8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.130 11.100 -9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.417 12.730 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.732 12.302 -8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.699 9.494 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.338 10.701 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.719 10.007 -6.356 1.00 0.00 H new ATOM 1726 N GLU A 113 1.891 12.850 -8.763 1.00 0.00 N ATOM 1727 CA GLU A 113 1.185 12.171 -9.824 1.00 0.00 C ATOM 1728 C GLU A 113 0.571 13.178 -10.819 1.00 0.00 C ATOM 1729 O GLU A 113 0.244 14.320 -10.466 1.00 0.00 O ATOM 1730 CB GLU A 113 0.092 11.285 -9.200 1.00 0.00 C ATOM 1731 CG GLU A 113 0.607 9.916 -8.727 1.00 0.00 C ATOM 1732 CD GLU A 113 0.569 8.892 -9.868 1.00 0.00 C ATOM 1733 OE1 GLU A 113 1.255 9.101 -10.899 1.00 0.00 O ATOM 1734 OE2 GLU A 113 -0.208 7.912 -9.762 1.00 0.00 O ATOM 0 H GLU A 113 1.467 12.753 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 113 1.886 11.552 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.350 11.810 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -0.702 11.133 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 113 1.627 10.015 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.002 9.562 -7.895 1.00 0.00 H new ATOM 1741 N GLY A 114 0.367 12.746 -12.061 1.00 0.00 N ATOM 1742 CA GLY A 114 -0.062 13.572 -13.180 1.00 0.00 C ATOM 1743 C GLY A 114 -1.469 13.240 -13.630 1.00 0.00 C ATOM 1744 O GLY A 114 -2.231 14.196 -13.888 1.00 0.00 O ATOM 0 H GLY A 114 0.503 11.770 -12.323 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.012 14.623 -12.894 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.626 13.436 -14.014 1.00 0.00 H new TER 1748 GLY A 114