USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 599 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 18 GLN : amide:sc= 0.0723 K(o=1.2,f=-2.4!) USER MOD Set 1.2: A 50 TYR OH : rot -54:sc= 1.13 USER MOD Set 2.1: A 1 MET N :NH3+ -178:sc= -0.0844 (180deg=-0.0462) USER MOD Set 2.2: A 2 GLN : amide:sc= -0.817 X(o=-0.9,f=-0.41) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot 151:sc= -5.63! USER MOD Single : A 11 THR OG1 : rot -90:sc= -1.02 USER MOD Single : A 23 ASN : amide:sc= -1.02! C(o=-1!,f=-2!) USER MOD Single : A 26 TYR OH : rot -175:sc= 1.24 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=0.51) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 90:sc= -1.22 USER MOD Single : A 38 GLN : amide:sc= -1.89! C(o=-1.9!,f=-5.4!) USER MOD Single : A 41 TYR OH : rot 12:sc= -0.491 USER MOD Single : A 47 HIS : no HD1:sc= -0.981 X(o=-0.98,f=-0.64) USER MOD Single : A 49 ASN : amide:sc= -0.754 K(o=-0.75,f=-0.24) USER MOD Single : A 54 THR OG1 : rot -49:sc= 0.84 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.303 USER MOD Single : A 66 ASN : amide:sc= -0.701 K(o=-0.7,f=-0.047) USER MOD Single : A 69 HIS : no HD1:sc= -0.658 X(o=-0.66,f=-0.5) USER MOD Single : A 70 HIS : no HD1:sc= -1.99 X(o=-2,f=-1.9) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.773 -9.691 -11.480 1.00 0.00 N ATOM 2 CA MET A 1 -5.982 -8.869 -11.748 1.00 0.00 C ATOM 3 C MET A 1 -5.943 -7.558 -10.967 1.00 0.00 C ATOM 4 O MET A 1 -6.950 -7.125 -10.409 1.00 0.00 O ATOM 5 CB MET A 1 -7.218 -9.679 -11.356 1.00 0.00 C ATOM 6 CG MET A 1 -7.603 -10.736 -12.378 1.00 0.00 C ATOM 7 SD MET A 1 -7.004 -12.380 -11.937 1.00 0.00 S ATOM 8 CE MET A 1 -8.172 -13.413 -12.819 1.00 0.00 C ATOM 0 H1 MET A 1 -4.811 -10.560 -12.050 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.922 -9.149 -11.731 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.739 -9.940 -10.471 1.00 0.00 H new ATOM 0 HA MET A 1 -6.016 -8.619 -12.808 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.035 -10.163 -10.397 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.058 -8.999 -11.215 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.688 -10.763 -12.476 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.202 -10.457 -13.352 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.933 -14.462 -12.645 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.181 -13.207 -12.463 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.113 -13.199 -13.886 1.00 0.00 H new ATOM 20 N GLN A 2 -4.771 -6.931 -10.933 1.00 0.00 N ATOM 21 CA GLN A 2 -4.600 -5.669 -10.222 1.00 0.00 C ATOM 22 C GLN A 2 -3.997 -4.607 -11.136 1.00 0.00 C ATOM 23 O GLN A 2 -3.401 -4.925 -12.165 1.00 0.00 O ATOM 24 CB GLN A 2 -3.709 -5.869 -8.994 1.00 0.00 C ATOM 25 CG GLN A 2 -2.457 -6.683 -9.278 1.00 0.00 C ATOM 26 CD GLN A 2 -2.469 -8.033 -8.586 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.452 -8.481 -8.055 1.00 0.00 O ATOM 28 NE2 GLN A 2 -3.624 -8.688 -8.588 1.00 0.00 N ATOM 0 H GLN A 2 -3.926 -7.276 -11.389 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.583 -5.327 -9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.418 -4.894 -8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.286 -6.365 -8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.361 -6.831 -10.354 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.581 -6.121 -8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.442 -8.279 -9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.694 -9.600 -8.137 1.00 0.00 H new ATOM 37 N HIS A 3 -4.154 -3.345 -10.752 1.00 0.00 N ATOM 38 CA HIS A 3 -3.625 -2.236 -11.536 1.00 0.00 C ATOM 39 C HIS A 3 -2.425 -1.598 -10.835 1.00 0.00 C ATOM 40 O HIS A 3 -2.580 -0.937 -9.810 1.00 0.00 O ATOM 41 CB HIS A 3 -4.712 -1.183 -11.769 1.00 0.00 C ATOM 42 CG HIS A 3 -6.035 -1.765 -12.165 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.316 -2.195 -13.445 1.00 0.00 N ATOM 44 CD2 HIS A 3 -7.158 -1.987 -11.441 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.553 -2.655 -13.492 1.00 0.00 C ATOM 46 NE2 HIS A 3 -8.085 -2.540 -12.288 1.00 0.00 N ATOM 0 H HIS A 3 -4.644 -3.065 -9.902 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.297 -2.628 -12.498 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.840 -0.597 -10.859 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.379 -0.495 -12.547 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.298 -1.769 -10.392 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.046 -3.057 -14.365 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -9.032 -2.818 -12.030 1.00 0.00 H new ATOM 55 N PRO A 4 -1.207 -1.791 -11.379 1.00 0.00 N ATOM 56 CA PRO A 4 0.022 -1.231 -10.796 1.00 0.00 C ATOM 57 C PRO A 4 -0.033 0.287 -10.663 1.00 0.00 C ATOM 58 O PRO A 4 -0.851 0.946 -11.305 1.00 0.00 O ATOM 59 CB PRO A 4 1.107 -1.627 -11.804 1.00 0.00 C ATOM 60 CG PRO A 4 0.552 -2.806 -12.522 1.00 0.00 C ATOM 61 CD PRO A 4 -0.930 -2.573 -12.598 1.00 0.00 C ATOM 0 HA PRO A 4 0.193 -1.604 -9.786 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.323 -0.811 -12.493 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.042 -1.875 -11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.986 -2.898 -13.518 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.777 -3.730 -11.990 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.207 -2.026 -13.499 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.486 -3.511 -12.611 1.00 0.00 H new ATOM 69 N TYR A 5 0.854 0.840 -9.838 1.00 0.00 N ATOM 70 CA TYR A 5 0.911 2.285 -9.644 1.00 0.00 C ATOM 71 C TYR A 5 2.340 2.747 -9.427 1.00 0.00 C ATOM 72 O TYR A 5 2.759 3.759 -9.986 1.00 0.00 O ATOM 73 CB TYR A 5 0.038 2.729 -8.468 1.00 0.00 C ATOM 74 CG TYR A 5 -1.392 2.994 -8.870 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.245 1.946 -9.174 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.881 4.288 -8.969 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.549 2.179 -9.568 1.00 0.00 C ATOM 78 CE2 TYR A 5 -3.183 4.533 -9.356 1.00 0.00 C ATOM 79 CZ TYR A 5 -4.013 3.475 -9.657 1.00 0.00 C ATOM 80 OH TYR A 5 -5.309 3.712 -10.050 1.00 0.00 O ATOM 0 H TYR A 5 1.539 0.312 -9.297 1.00 0.00 H new ATOM 0 HA TYR A 5 0.523 2.747 -10.552 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.057 1.960 -7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.461 3.632 -8.028 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.885 0.930 -9.102 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.231 5.119 -8.739 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.201 1.351 -9.805 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.549 5.547 -9.422 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.627 4.546 -9.644 1.00 0.00 H new ATOM 90 N VAL A 6 3.093 2.002 -8.623 1.00 0.00 N ATOM 91 CA VAL A 6 4.477 2.360 -8.361 1.00 0.00 C ATOM 92 C VAL A 6 4.576 3.740 -7.714 1.00 0.00 C ATOM 93 O VAL A 6 4.003 4.711 -8.205 1.00 0.00 O ATOM 94 CB VAL A 6 5.290 2.355 -9.662 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.777 2.506 -9.374 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.014 1.086 -10.450 1.00 0.00 C ATOM 0 H VAL A 6 2.771 1.158 -8.149 1.00 0.00 H new ATOM 0 HA VAL A 6 4.883 1.617 -7.674 1.00 0.00 H new ATOM 0 HB VAL A 6 4.981 3.208 -10.266 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.332 2.500 -10.312 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.953 3.448 -8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.112 1.679 -8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.597 1.095 -11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.294 0.218 -9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.953 1.032 -10.693 1.00 0.00 H new ATOM 106 N GLY A 7 5.302 3.817 -6.608 1.00 0.00 N ATOM 107 CA GLY A 7 5.456 5.079 -5.911 1.00 0.00 C ATOM 108 C GLY A 7 5.840 4.890 -4.459 1.00 0.00 C ATOM 109 O GLY A 7 5.434 3.914 -3.832 1.00 0.00 O ATOM 0 H GLY A 7 5.787 3.028 -6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.218 5.677 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.523 5.639 -5.968 1.00 0.00 H new ATOM 113 N ILE A 8 6.616 5.821 -3.915 1.00 0.00 N ATOM 114 CA ILE A 8 7.029 5.729 -2.521 1.00 0.00 C ATOM 115 C ILE A 8 6.088 6.531 -1.641 1.00 0.00 C ATOM 116 O ILE A 8 6.216 7.744 -1.502 1.00 0.00 O ATOM 117 CB ILE A 8 8.485 6.194 -2.323 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.415 5.247 -3.093 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.836 6.245 -0.838 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.536 4.644 -2.267 1.00 0.00 C ATOM 0 H ILE A 8 6.968 6.639 -4.412 1.00 0.00 H new ATOM 0 HA ILE A 8 6.981 4.680 -2.229 1.00 0.00 H new ATOM 0 HB ILE A 8 8.609 7.204 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.818 4.438 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.852 5.791 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.868 6.575 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.171 6.943 -0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.720 5.252 -0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.140 3.990 -2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.162 5.441 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.112 4.067 -1.445 1.00 0.00 H new ATOM 132 N TRP A 9 5.130 5.829 -1.063 1.00 0.00 N ATOM 133 CA TRP A 9 4.133 6.446 -0.204 1.00 0.00 C ATOM 134 C TRP A 9 4.607 6.467 1.245 1.00 0.00 C ATOM 135 O TRP A 9 4.651 5.434 1.913 1.00 0.00 O ATOM 136 CB TRP A 9 2.803 5.699 -0.341 1.00 0.00 C ATOM 137 CG TRP A 9 2.381 5.516 -1.776 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.939 4.672 -2.698 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.321 6.200 -2.459 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.293 4.787 -3.907 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.294 5.718 -3.785 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.391 7.170 -2.078 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.375 6.176 -4.725 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.521 7.624 -3.014 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.523 7.126 -4.322 1.00 0.00 C ATOM 0 H TRP A 9 5.020 4.821 -1.174 1.00 0.00 H new ATOM 0 HA TRP A 9 3.985 7.480 -0.515 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.890 4.722 0.135 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.027 6.247 0.194 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.769 4.009 -2.504 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.520 4.266 -4.754 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.384 7.559 -1.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.371 5.795 -5.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.243 8.375 -2.731 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.249 7.500 -5.028 1.00 0.00 H new ATOM 156 N VAL A 10 4.978 7.655 1.714 1.00 0.00 N ATOM 157 CA VAL A 10 5.472 7.828 3.076 1.00 0.00 C ATOM 158 C VAL A 10 4.519 8.677 3.910 1.00 0.00 C ATOM 159 O VAL A 10 3.750 9.477 3.379 1.00 0.00 O ATOM 160 CB VAL A 10 6.872 8.485 3.071 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.334 8.818 4.484 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.880 7.580 2.381 1.00 0.00 C ATOM 0 H VAL A 10 4.945 8.516 1.168 1.00 0.00 H new ATOM 0 HA VAL A 10 5.539 6.836 3.524 1.00 0.00 H new ATOM 0 HB VAL A 10 6.801 9.420 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.321 9.278 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.629 9.510 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.383 7.904 5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.860 8.057 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.937 6.629 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.567 7.405 1.352 1.00 0.00 H new ATOM 172 N THR A 11 4.582 8.492 5.225 1.00 0.00 N ATOM 173 CA THR A 11 3.734 9.234 6.148 1.00 0.00 C ATOM 174 C THR A 11 4.092 10.718 6.153 1.00 0.00 C ATOM 175 O THR A 11 5.031 11.141 5.477 1.00 0.00 O ATOM 176 CB THR A 11 3.865 8.655 7.557 1.00 0.00 C ATOM 177 OG1 THR A 11 5.146 8.076 7.744 1.00 0.00 O ATOM 178 CG2 THR A 11 2.831 7.594 7.861 1.00 0.00 C ATOM 0 H THR A 11 5.215 7.831 5.676 1.00 0.00 H new ATOM 0 HA THR A 11 2.701 9.138 5.815 1.00 0.00 H new ATOM 0 HB THR A 11 3.711 9.495 8.234 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.119 7.131 7.485 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.978 7.223 8.875 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.833 8.023 7.772 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.936 6.770 7.155 1.00 0.00 H new ATOM 186 N ALA A 12 3.337 11.503 6.915 1.00 0.00 N ATOM 187 CA ALA A 12 3.574 12.941 7.005 1.00 0.00 C ATOM 188 C ALA A 12 4.754 13.258 7.922 1.00 0.00 C ATOM 189 O ALA A 12 5.325 14.346 7.854 1.00 0.00 O ATOM 190 CB ALA A 12 2.319 13.655 7.489 1.00 0.00 C ATOM 0 H ALA A 12 2.556 11.168 7.479 1.00 0.00 H new ATOM 0 HA ALA A 12 3.823 13.301 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.511 14.726 7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.504 13.472 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.043 13.278 8.474 1.00 0.00 H new ATOM 196 N ASP A 13 5.114 12.309 8.780 1.00 0.00 N ATOM 197 CA ASP A 13 6.225 12.501 9.704 1.00 0.00 C ATOM 198 C ASP A 13 7.463 11.740 9.239 1.00 0.00 C ATOM 199 O ASP A 13 8.587 12.088 9.597 1.00 0.00 O ATOM 200 CB ASP A 13 5.827 12.047 11.111 1.00 0.00 C ATOM 201 CG ASP A 13 5.795 13.193 12.103 1.00 0.00 C ATOM 202 OD1 ASP A 13 6.715 14.037 12.064 1.00 0.00 O ATOM 203 OD2 ASP A 13 4.848 13.249 12.915 1.00 0.00 O ATOM 0 H ASP A 13 4.654 11.402 8.854 1.00 0.00 H new ATOM 0 HA ASP A 13 6.467 13.564 9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.845 11.576 11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.530 11.290 11.458 1.00 0.00 H new ATOM 208 N GLY A 14 7.249 10.697 8.442 1.00 0.00 N ATOM 209 CA GLY A 14 8.358 9.904 7.948 1.00 0.00 C ATOM 210 C GLY A 14 8.712 8.764 8.882 1.00 0.00 C ATOM 211 O GLY A 14 9.826 8.244 8.844 1.00 0.00 O ATOM 0 H GLY A 14 6.328 10.388 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.105 9.502 6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.229 10.545 7.815 1.00 0.00 H new ATOM 215 N ARG A 15 7.756 8.369 9.721 1.00 0.00 N ATOM 216 CA ARG A 15 7.981 7.274 10.663 1.00 0.00 C ATOM 217 C ARG A 15 7.981 5.934 9.931 1.00 0.00 C ATOM 218 O ARG A 15 8.584 4.965 10.393 1.00 0.00 O ATOM 219 CB ARG A 15 6.939 7.256 11.799 1.00 0.00 C ATOM 220 CG ARG A 15 5.861 8.328 11.702 1.00 0.00 C ATOM 221 CD ARG A 15 4.858 8.005 10.609 1.00 0.00 C ATOM 222 NE ARG A 15 3.488 7.950 11.118 1.00 0.00 N ATOM 223 CZ ARG A 15 2.959 6.890 11.725 1.00 0.00 C ATOM 224 NH1 ARG A 15 3.675 5.788 11.901 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.705 6.931 12.156 1.00 0.00 N ATOM 0 H ARG A 15 6.826 8.786 9.768 1.00 0.00 H new ATOM 0 HA ARG A 15 8.958 7.439 11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.457 6.278 11.814 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.459 7.370 12.750 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.345 8.415 12.658 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.323 9.294 11.500 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.923 8.759 9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.114 7.048 10.154 1.00 0.00 H new ATOM 0 HE ARG A 15 2.901 8.776 11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.639 5.748 11.570 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.262 4.980 12.367 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.147 7.774 12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.299 6.119 12.621 1.00 0.00 H new ATOM 239 N ILE A 16 7.312 5.892 8.782 1.00 0.00 N ATOM 240 CA ILE A 16 7.248 4.676 7.981 1.00 0.00 C ATOM 241 C ILE A 16 7.208 5.022 6.496 1.00 0.00 C ATOM 242 O ILE A 16 6.810 6.122 6.120 1.00 0.00 O ATOM 243 CB ILE A 16 6.035 3.784 8.366 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.850 3.971 7.406 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.599 4.068 9.792 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.762 2.890 6.351 1.00 0.00 C ATOM 0 H ILE A 16 6.808 6.685 8.386 1.00 0.00 H new ATOM 0 HA ILE A 16 8.150 4.100 8.189 1.00 0.00 H new ATOM 0 HB ILE A 16 6.362 2.747 8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.924 3.985 7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.937 4.941 6.917 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.749 3.435 10.045 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.424 3.858 10.473 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.311 5.115 9.883 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.904 3.080 5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.673 2.890 5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.645 1.920 6.833 1.00 0.00 H new ATOM 258 N ARG A 17 7.624 4.084 5.662 1.00 0.00 N ATOM 259 CA ARG A 17 7.640 4.305 4.221 1.00 0.00 C ATOM 260 C ARG A 17 7.130 3.075 3.476 1.00 0.00 C ATOM 261 O ARG A 17 7.513 1.949 3.785 1.00 0.00 O ATOM 262 CB ARG A 17 9.062 4.681 3.775 1.00 0.00 C ATOM 263 CG ARG A 17 9.545 3.989 2.507 1.00 0.00 C ATOM 264 CD ARG A 17 11.044 4.150 2.331 1.00 0.00 C ATOM 265 NE ARG A 17 11.796 3.225 3.176 1.00 0.00 N ATOM 266 CZ ARG A 17 13.092 2.965 3.020 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.783 3.559 2.053 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.699 2.113 3.833 1.00 0.00 N ATOM 0 H ARG A 17 7.955 3.164 5.954 1.00 0.00 H new ATOM 0 HA ARG A 17 6.970 5.129 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.105 5.759 3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.754 4.447 4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.293 2.929 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.028 4.406 1.643 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.307 3.982 1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.329 5.174 2.571 1.00 0.00 H new ATOM 0 HE ARG A 17 11.299 2.751 3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.320 4.218 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.776 3.357 1.937 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.173 1.656 4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.692 1.914 3.714 1.00 0.00 H new ATOM 282 N GLN A 18 6.271 3.304 2.486 1.00 0.00 N ATOM 283 CA GLN A 18 5.715 2.219 1.688 1.00 0.00 C ATOM 284 C GLN A 18 6.030 2.425 0.214 1.00 0.00 C ATOM 285 O GLN A 18 5.550 3.371 -0.407 1.00 0.00 O ATOM 286 CB GLN A 18 4.202 2.125 1.898 1.00 0.00 C ATOM 287 CG GLN A 18 3.595 0.834 1.373 1.00 0.00 C ATOM 288 CD GLN A 18 2.159 1.008 0.919 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.861 0.946 -0.275 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.260 1.230 1.870 1.00 0.00 N ATOM 0 H GLN A 18 5.946 4.233 2.218 1.00 0.00 H new ATOM 0 HA GLN A 18 6.172 1.284 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.985 2.212 2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.722 2.970 1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.194 0.468 0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.636 0.074 2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.551 1.274 2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.278 1.357 1.624 1.00 0.00 H new ATOM 299 N GLU A 19 6.850 1.537 -0.346 1.00 0.00 N ATOM 300 CA GLU A 19 7.230 1.642 -1.748 1.00 0.00 C ATOM 301 C GLU A 19 6.350 0.777 -2.627 1.00 0.00 C ATOM 302 O GLU A 19 6.229 -0.429 -2.414 1.00 0.00 O ATOM 303 CB GLU A 19 8.689 1.233 -1.950 1.00 0.00 C ATOM 304 CG GLU A 19 9.146 1.285 -3.400 1.00 0.00 C ATOM 305 CD GLU A 19 10.624 0.990 -3.557 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.439 1.681 -2.908 1.00 0.00 O ATOM 307 OE2 GLU A 19 10.968 0.071 -4.327 1.00 0.00 O ATOM 0 H GLU A 19 7.260 0.744 0.147 1.00 0.00 H new ATOM 0 HA GLU A 19 7.101 2.686 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.326 1.887 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.829 0.221 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.572 0.566 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.931 2.272 -3.810 1.00 0.00 H new ATOM 314 N LEU A 20 5.777 1.394 -3.645 1.00 0.00 N ATOM 315 CA LEU A 20 4.954 0.667 -4.591 1.00 0.00 C ATOM 316 C LEU A 20 5.851 0.209 -5.729 1.00 0.00 C ATOM 317 O LEU A 20 6.440 1.018 -6.444 1.00 0.00 O ATOM 318 CB LEU A 20 3.780 1.524 -5.080 1.00 0.00 C ATOM 319 CG LEU A 20 2.661 1.736 -4.053 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.375 2.167 -4.736 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.422 0.480 -3.227 1.00 0.00 C ATOM 0 H LEU A 20 5.866 2.392 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 20 4.504 -0.204 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.163 2.498 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.354 1.057 -5.968 1.00 0.00 H new ATOM 0 HG LEU A 20 2.981 2.530 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.596 2.311 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.542 3.102 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.062 1.397 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.623 0.664 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.136 -0.340 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.335 0.216 -2.694 1.00 0.00 H new ATOM 333 N LEU A 21 6.011 -1.097 -5.825 1.00 0.00 N ATOM 334 CA LEU A 21 6.900 -1.706 -6.800 1.00 0.00 C ATOM 335 C LEU A 21 6.435 -1.549 -8.240 1.00 0.00 C ATOM 336 O LEU A 21 5.250 -1.356 -8.511 1.00 0.00 O ATOM 337 CB LEU A 21 7.074 -3.182 -6.461 1.00 0.00 C ATOM 338 CG LEU A 21 8.361 -3.544 -5.703 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.046 -2.302 -5.134 1.00 0.00 C ATOM 340 CD2 LEU A 21 8.051 -4.524 -4.589 1.00 0.00 C ATOM 0 H LEU A 21 5.528 -1.768 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 21 7.851 -1.178 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.220 -3.502 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.047 -3.755 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 21 9.047 -4.008 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.952 -2.597 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.305 -1.624 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.370 -1.798 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.970 -4.774 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.342 -4.073 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.618 -5.431 -5.012 1.00 0.00 H new ATOM 352 N PRO A 22 7.394 -1.658 -9.184 1.00 0.00 N ATOM 353 CA PRO A 22 7.125 -1.552 -10.622 1.00 0.00 C ATOM 354 C PRO A 22 6.231 -2.681 -11.116 1.00 0.00 C ATOM 355 O PRO A 22 5.690 -2.623 -12.221 1.00 0.00 O ATOM 356 CB PRO A 22 8.517 -1.643 -11.265 1.00 0.00 C ATOM 357 CG PRO A 22 9.480 -1.386 -10.156 1.00 0.00 C ATOM 358 CD PRO A 22 8.821 -1.916 -8.918 1.00 0.00 C ATOM 0 HA PRO A 22 6.596 -0.632 -10.872 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.682 -2.625 -11.709 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.631 -0.909 -12.063 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.431 -1.887 -10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.693 -0.321 -10.061 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.022 -2.978 -8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.167 -1.401 -8.022 1.00 0.00 H new ATOM 366 N ASN A 23 6.071 -3.703 -10.282 1.00 0.00 N ATOM 367 CA ASN A 23 5.231 -4.846 -10.616 1.00 0.00 C ATOM 368 C ASN A 23 3.823 -4.643 -10.063 1.00 0.00 C ATOM 369 O ASN A 23 3.072 -5.601 -9.878 1.00 0.00 O ATOM 370 CB ASN A 23 5.844 -6.123 -10.031 1.00 0.00 C ATOM 371 CG ASN A 23 4.993 -7.359 -10.294 1.00 0.00 C ATOM 372 OD1 ASN A 23 4.277 -7.422 -11.294 1.00 0.00 O ATOM 373 ND2 ASN A 23 5.059 -8.352 -9.404 1.00 0.00 N ATOM 0 H ASN A 23 6.515 -3.762 -9.365 1.00 0.00 H new ATOM 0 HA ASN A 23 5.171 -4.940 -11.700 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.836 -6.273 -10.457 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.974 -5.999 -8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.505 -9.197 -9.541 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.663 -8.265 -8.587 1.00 0.00 H new ATOM 380 N GLY A 24 3.474 -3.390 -9.775 1.00 0.00 N ATOM 381 CA GLY A 24 2.170 -3.107 -9.217 1.00 0.00 C ATOM 382 C GLY A 24 2.022 -3.752 -7.863 1.00 0.00 C ATOM 383 O GLY A 24 1.051 -4.459 -7.596 1.00 0.00 O ATOM 0 H GLY A 24 4.069 -2.574 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.032 -2.029 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.394 -3.475 -9.888 1.00 0.00 H new ATOM 387 N ARG A 25 3.017 -3.523 -7.015 1.00 0.00 N ATOM 388 CA ARG A 25 3.029 -4.103 -5.678 1.00 0.00 C ATOM 389 C ARG A 25 3.480 -3.088 -4.646 1.00 0.00 C ATOM 390 O ARG A 25 3.746 -1.936 -4.980 1.00 0.00 O ATOM 391 CB ARG A 25 3.933 -5.331 -5.655 1.00 0.00 C ATOM 392 CG ARG A 25 3.533 -6.364 -6.687 1.00 0.00 C ATOM 393 CD ARG A 25 2.192 -6.994 -6.340 1.00 0.00 C ATOM 394 NE ARG A 25 1.789 -8.002 -7.318 1.00 0.00 N ATOM 395 CZ ARG A 25 2.267 -9.245 -7.340 1.00 0.00 C ATOM 396 NH1 ARG A 25 3.162 -9.636 -6.441 1.00 0.00 N ATOM 397 NH2 ARG A 25 1.847 -10.098 -8.264 1.00 0.00 N ATOM 0 H ARG A 25 3.826 -2.940 -7.229 1.00 0.00 H new ATOM 0 HA ARG A 25 2.013 -4.405 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.963 -5.023 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.903 -5.782 -4.663 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.475 -5.897 -7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.298 -7.138 -6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.251 -7.451 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.430 -6.217 -6.286 1.00 0.00 H new ATOM 0 HE ARG A 25 1.102 -7.739 -8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.487 -8.983 -5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.524 -10.589 -6.463 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.159 -9.802 -8.956 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.212 -11.050 -8.282 1.00 0.00 H new ATOM 411 N TYR A 26 3.534 -3.505 -3.386 1.00 0.00 N ATOM 412 CA TYR A 26 3.920 -2.599 -2.315 1.00 0.00 C ATOM 413 C TYR A 26 4.876 -3.241 -1.317 1.00 0.00 C ATOM 414 O TYR A 26 4.827 -4.445 -1.065 1.00 0.00 O ATOM 415 CB TYR A 26 2.658 -2.083 -1.617 1.00 0.00 C ATOM 416 CG TYR A 26 2.243 -2.864 -0.394 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.981 -2.796 0.775 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.110 -3.657 -0.415 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.599 -3.504 1.898 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.717 -4.369 0.698 1.00 0.00 C ATOM 421 CZ TYR A 26 1.465 -4.290 1.856 1.00 0.00 C ATOM 422 OH TYR A 26 1.079 -4.996 2.970 1.00 0.00 O ATOM 0 H TYR A 26 3.317 -4.455 -3.085 1.00 0.00 H new ATOM 0 HA TYR A 26 4.465 -1.765 -2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.819 -1.044 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.836 -2.092 -2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.868 -2.181 0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.523 -3.719 -1.319 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.184 -3.443 2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.170 -4.984 0.665 1.00 0.00 H new ATOM 0 HH TYR A 26 0.308 -5.559 2.750 1.00 0.00 H new ATOM 432 N ASP A 27 5.732 -2.403 -0.743 1.00 0.00 N ATOM 433 CA ASP A 27 6.710 -2.828 0.250 1.00 0.00 C ATOM 434 C ASP A 27 6.937 -1.703 1.252 1.00 0.00 C ATOM 435 O ASP A 27 7.470 -0.653 0.898 1.00 0.00 O ATOM 436 CB ASP A 27 8.031 -3.193 -0.427 1.00 0.00 C ATOM 437 CG ASP A 27 8.324 -4.679 -0.368 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.777 -5.427 -1.207 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.099 -5.096 0.517 1.00 0.00 O ATOM 0 H ASP A 27 5.767 -1.406 -0.955 1.00 0.00 H new ATOM 0 HA ASP A 27 6.330 -3.708 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.002 -2.873 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.844 -2.647 0.052 1.00 0.00 H new ATOM 444 N GLU A 28 6.513 -1.906 2.495 1.00 0.00 N ATOM 445 CA GLU A 28 6.667 -0.873 3.510 1.00 0.00 C ATOM 446 C GLU A 28 7.802 -1.184 4.479 1.00 0.00 C ATOM 447 O GLU A 28 7.909 -2.292 5.005 1.00 0.00 O ATOM 448 CB GLU A 28 5.337 -0.661 4.255 1.00 0.00 C ATOM 449 CG GLU A 28 5.478 -0.319 5.735 1.00 0.00 C ATOM 450 CD GLU A 28 4.169 -0.450 6.488 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.223 0.300 6.171 1.00 0.00 O ATOM 452 OE2 GLU A 28 4.091 -1.303 7.397 1.00 0.00 O ATOM 0 H GLU A 28 6.066 -2.764 2.820 1.00 0.00 H new ATOM 0 HA GLU A 28 6.936 0.054 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.785 0.140 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.737 -1.566 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.221 -0.976 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.851 0.700 5.835 1.00 0.00 H new ATOM 459 N ALA A 29 8.633 -0.176 4.714 1.00 0.00 N ATOM 460 CA ALA A 29 9.758 -0.292 5.628 1.00 0.00 C ATOM 461 C ALA A 29 9.616 0.718 6.759 1.00 0.00 C ATOM 462 O ALA A 29 9.821 1.917 6.562 1.00 0.00 O ATOM 463 CB ALA A 29 11.066 -0.075 4.882 1.00 0.00 C ATOM 0 H ALA A 29 8.545 0.741 4.277 1.00 0.00 H new ATOM 0 HA ALA A 29 9.766 -1.295 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.901 -0.164 5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.166 -0.825 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.070 0.920 4.436 1.00 0.00 H new ATOM 469 N ARG A 30 9.251 0.234 7.937 1.00 0.00 N ATOM 470 CA ARG A 30 9.068 1.102 9.095 1.00 0.00 C ATOM 471 C ARG A 30 10.308 1.103 9.983 1.00 0.00 C ATOM 472 O ARG A 30 11.034 0.112 10.056 1.00 0.00 O ATOM 473 CB ARG A 30 7.841 0.659 9.895 1.00 0.00 C ATOM 474 CG ARG A 30 6.656 0.279 9.020 1.00 0.00 C ATOM 475 CD ARG A 30 5.331 0.636 9.673 1.00 0.00 C ATOM 476 NE ARG A 30 5.329 0.355 11.107 1.00 0.00 N ATOM 477 CZ ARG A 30 4.460 0.884 11.965 1.00 0.00 C ATOM 478 NH1 ARG A 30 3.521 1.720 11.540 1.00 0.00 N ATOM 479 NH2 ARG A 30 4.527 0.574 13.254 1.00 0.00 N ATOM 0 H ARG A 30 9.075 -0.754 8.118 1.00 0.00 H new ATOM 0 HA ARG A 30 8.911 2.119 8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.111 -0.193 10.519 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.544 1.464 10.567 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.736 0.788 8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.684 -0.791 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.121 1.693 9.511 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.529 0.075 9.193 1.00 0.00 H new ATOM 0 HE ARG A 30 6.035 -0.284 11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.462 1.961 10.551 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.858 2.122 12.203 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.245 -0.070 13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.861 0.980 13.911 1.00 0.00 H new ATOM 493 N GLY A 31 10.544 2.228 10.653 1.00 0.00 N ATOM 494 CA GLY A 31 11.700 2.354 11.525 1.00 0.00 C ATOM 495 C GLY A 31 11.857 1.181 12.474 1.00 0.00 C ATOM 496 O GLY A 31 10.877 0.689 13.035 1.00 0.00 O ATOM 0 H GLY A 31 9.953 3.058 10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.599 2.444 10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.613 3.274 12.104 1.00 0.00 H new ATOM 500 N ASN A 32 13.096 0.734 12.653 1.00 0.00 N ATOM 501 CA ASN A 32 13.388 -0.386 13.540 1.00 0.00 C ATOM 502 C ASN A 32 12.602 -1.631 13.137 1.00 0.00 C ATOM 503 O ASN A 32 12.384 -2.528 13.952 1.00 0.00 O ATOM 504 CB ASN A 32 13.064 -0.014 14.989 1.00 0.00 C ATOM 505 CG ASN A 32 14.065 -0.590 15.972 1.00 0.00 C ATOM 506 OD1 ASN A 32 14.254 -1.805 16.041 1.00 0.00 O ATOM 507 ND2 ASN A 32 14.709 0.281 16.741 1.00 0.00 N ATOM 0 H ASN A 32 13.916 1.132 12.194 1.00 0.00 H new ATOM 0 HA ASN A 32 14.451 -0.610 13.455 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.046 1.071 15.087 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.066 -0.373 15.239 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.392 -0.048 17.423 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.520 1.279 16.649 1.00 0.00 H new ATOM 514 N ARG A 33 12.176 -1.680 11.877 1.00 0.00 N ATOM 515 CA ARG A 33 11.415 -2.818 11.375 1.00 0.00 C ATOM 516 C ARG A 33 11.096 -2.652 9.892 1.00 0.00 C ATOM 517 O ARG A 33 9.980 -2.282 9.526 1.00 0.00 O ATOM 518 CB ARG A 33 10.116 -2.982 12.169 1.00 0.00 C ATOM 519 CG ARG A 33 9.336 -4.240 11.818 1.00 0.00 C ATOM 520 CD ARG A 33 10.192 -5.487 11.972 1.00 0.00 C ATOM 521 NE ARG A 33 9.436 -6.602 12.539 1.00 0.00 N ATOM 522 CZ ARG A 33 8.655 -7.409 11.824 1.00 0.00 C ATOM 523 NH1 ARG A 33 8.521 -7.228 10.516 1.00 0.00 N ATOM 524 NH2 ARG A 33 8.004 -8.399 12.419 1.00 0.00 N ATOM 0 H ARG A 33 12.345 -0.947 11.188 1.00 0.00 H new ATOM 0 HA ARG A 33 12.027 -3.712 11.500 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.351 -2.997 13.233 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.482 -2.112 11.995 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.459 -4.317 12.461 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.974 -4.170 10.792 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.590 -5.776 10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.045 -5.264 12.612 1.00 0.00 H new ATOM 0 HE ARG A 33 9.511 -6.772 13.542 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.018 -6.467 10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.921 -7.850 9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.102 -8.542 13.424 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.406 -9.017 11.872 1.00 0.00 H new ATOM 538 N LYS A 34 12.077 -2.933 9.042 1.00 0.00 N ATOM 539 CA LYS A 34 11.891 -2.817 7.598 1.00 0.00 C ATOM 540 C LYS A 34 11.267 -4.092 7.038 1.00 0.00 C ATOM 541 O LYS A 34 11.170 -5.101 7.738 1.00 0.00 O ATOM 542 CB LYS A 34 13.219 -2.529 6.898 1.00 0.00 C ATOM 543 CG LYS A 34 14.367 -3.399 7.379 1.00 0.00 C ATOM 544 CD LYS A 34 15.152 -2.712 8.483 1.00 0.00 C ATOM 545 CE LYS A 34 15.698 -3.714 9.489 1.00 0.00 C ATOM 546 NZ LYS A 34 17.139 -3.476 9.781 1.00 0.00 N ATOM 0 H LYS A 34 13.007 -3.242 9.325 1.00 0.00 H new ATOM 0 HA LYS A 34 11.216 -1.982 7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.092 -2.672 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.480 -1.482 7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.978 -4.350 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 34 15.030 -3.625 6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.976 -2.147 8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.510 -1.995 8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.124 -3.650 10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.568 -4.725 9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.474 -4.179 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.690 -3.562 8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.260 -2.521 10.174 1.00 0.00 H new ATOM 560 N SER A 35 10.839 -4.043 5.779 1.00 0.00 N ATOM 561 CA SER A 35 10.218 -5.201 5.141 1.00 0.00 C ATOM 562 C SER A 35 9.135 -5.790 6.040 1.00 0.00 C ATOM 563 O SER A 35 8.870 -6.992 6.009 1.00 0.00 O ATOM 564 CB SER A 35 11.272 -6.264 4.824 1.00 0.00 C ATOM 565 OG SER A 35 12.567 -5.693 4.750 1.00 0.00 O ATOM 0 H SER A 35 10.910 -3.218 5.183 1.00 0.00 H new ATOM 0 HA SER A 35 9.758 -4.873 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.256 -7.037 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.031 -6.749 3.878 1.00 0.00 H new ATOM 0 HG SER A 35 13.222 -6.393 4.548 1.00 0.00 H new ATOM 571 N ALA A 36 8.519 -4.930 6.845 1.00 0.00 N ATOM 572 CA ALA A 36 7.471 -5.348 7.765 1.00 0.00 C ATOM 573 C ALA A 36 6.346 -6.080 7.043 1.00 0.00 C ATOM 574 O ALA A 36 5.947 -7.174 7.446 1.00 0.00 O ATOM 575 CB ALA A 36 6.923 -4.137 8.508 1.00 0.00 C ATOM 0 H ALA A 36 8.731 -3.933 6.877 1.00 0.00 H new ATOM 0 HA ALA A 36 7.909 -6.045 8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.139 -4.456 9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.726 -3.661 9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.511 -3.426 7.792 1.00 0.00 H new ATOM 581 N TYR A 37 5.832 -5.469 5.983 1.00 0.00 N ATOM 582 CA TYR A 37 4.745 -6.061 5.217 1.00 0.00 C ATOM 583 C TYR A 37 4.809 -5.666 3.744 1.00 0.00 C ATOM 584 O TYR A 37 5.214 -4.556 3.399 1.00 0.00 O ATOM 585 CB TYR A 37 3.398 -5.637 5.805 1.00 0.00 C ATOM 586 CG TYR A 37 2.577 -6.795 6.315 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.930 -7.453 7.482 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.454 -7.231 5.627 1.00 0.00 C ATOM 589 CE1 TYR A 37 2.186 -8.519 7.953 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.702 -8.295 6.089 1.00 0.00 C ATOM 591 CZ TYR A 37 1.073 -8.936 7.253 1.00 0.00 C ATOM 592 OH TYR A 37 0.329 -9.996 7.719 1.00 0.00 O ATOM 0 H TYR A 37 6.151 -4.565 5.635 1.00 0.00 H new ATOM 0 HA TYR A 37 4.851 -7.144 5.279 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.571 -4.936 6.622 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.828 -5.105 5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.800 -7.128 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.162 -6.731 4.715 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.475 -9.022 8.864 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.170 -8.622 5.542 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.372 -9.665 8.318 1.00 0.00 H new ATOM 602 N GLN A 38 4.385 -6.587 2.886 1.00 0.00 N ATOM 603 CA GLN A 38 4.366 -6.363 1.444 1.00 0.00 C ATOM 604 C GLN A 38 3.314 -7.259 0.803 1.00 0.00 C ATOM 605 O GLN A 38 3.036 -8.349 1.303 1.00 0.00 O ATOM 606 CB GLN A 38 5.735 -6.638 0.809 1.00 0.00 C ATOM 607 CG GLN A 38 6.864 -6.860 1.807 1.00 0.00 C ATOM 608 CD GLN A 38 6.711 -8.152 2.586 1.00 0.00 C ATOM 609 OE1 GLN A 38 5.675 -8.814 2.516 1.00 0.00 O ATOM 610 NE2 GLN A 38 7.745 -8.516 3.336 1.00 0.00 N ATOM 0 H GLN A 38 4.046 -7.507 3.168 1.00 0.00 H new ATOM 0 HA GLN A 38 4.122 -5.315 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.654 -7.517 0.170 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.997 -5.799 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.816 -6.871 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.898 -6.022 2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.584 -7.936 3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.700 -9.375 3.884 1.00 0.00 H new ATOM 619 N GLY A 39 2.728 -6.803 -0.298 1.00 0.00 N ATOM 620 CA GLY A 39 1.715 -7.605 -0.958 1.00 0.00 C ATOM 621 C GLY A 39 1.316 -7.064 -2.311 1.00 0.00 C ATOM 622 O GLY A 39 2.154 -6.907 -3.201 1.00 0.00 O ATOM 0 H GLY A 39 2.932 -5.907 -0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.087 -8.623 -1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.832 -7.660 -0.321 1.00 0.00 H new ATOM 626 N ARG A 40 0.029 -6.779 -2.469 1.00 0.00 N ATOM 627 CA ARG A 40 -0.492 -6.255 -3.718 1.00 0.00 C ATOM 628 C ARG A 40 -1.751 -5.453 -3.450 1.00 0.00 C ATOM 629 O ARG A 40 -2.338 -5.553 -2.372 1.00 0.00 O ATOM 630 CB ARG A 40 -0.784 -7.395 -4.697 1.00 0.00 C ATOM 631 CG ARG A 40 -1.955 -8.273 -4.285 1.00 0.00 C ATOM 632 CD ARG A 40 -1.513 -9.696 -3.985 1.00 0.00 C ATOM 633 NE ARG A 40 -1.735 -10.588 -5.120 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.128 -11.764 -5.268 1.00 0.00 C ATOM 635 NH1 ARG A 40 -0.263 -12.192 -4.356 1.00 0.00 N ATOM 636 NH2 ARG A 40 -1.387 -12.514 -6.331 1.00 0.00 N ATOM 0 H ARG A 40 -0.674 -6.904 -1.741 1.00 0.00 H new ATOM 0 HA ARG A 40 0.256 -5.603 -4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.987 -6.973 -5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.107 -8.016 -4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.436 -7.848 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.700 -8.283 -5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.455 -9.699 -3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.058 -10.070 -3.118 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.393 -10.293 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.060 -11.619 -3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.199 -13.094 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.051 -12.190 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.922 -13.415 -6.445 1.00 0.00 H new ATOM 650 N TYR A 41 -2.163 -4.651 -4.416 1.00 0.00 N ATOM 651 CA TYR A 41 -3.351 -3.836 -4.240 1.00 0.00 C ATOM 652 C TYR A 41 -4.208 -3.791 -5.491 1.00 0.00 C ATOM 653 O TYR A 41 -3.724 -3.965 -6.609 1.00 0.00 O ATOM 654 CB TYR A 41 -2.963 -2.413 -3.852 1.00 0.00 C ATOM 655 CG TYR A 41 -1.765 -1.886 -4.604 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.482 -2.086 -4.119 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.916 -1.191 -5.799 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.618 -1.607 -4.800 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.819 -0.711 -6.488 1.00 0.00 C ATOM 660 CZ TYR A 41 0.446 -0.921 -5.984 1.00 0.00 C ATOM 661 OH TYR A 41 1.543 -0.445 -6.663 1.00 0.00 O ATOM 0 H TYR A 41 -1.700 -4.547 -5.319 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.936 -4.298 -3.444 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.812 -1.753 -4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.753 -2.381 -2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.341 -2.625 -3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.907 -1.024 -6.195 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.611 -1.769 -4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.952 -0.175 -7.416 1.00 0.00 H new ATOM 0 HH TYR A 41 2.358 -0.835 -6.283 1.00 0.00 H new ATOM 671 N GLU A 42 -5.486 -3.521 -5.279 1.00 0.00 N ATOM 672 CA GLU A 42 -6.443 -3.404 -6.368 1.00 0.00 C ATOM 673 C GLU A 42 -7.045 -2.006 -6.347 1.00 0.00 C ATOM 674 O GLU A 42 -7.523 -1.552 -5.313 1.00 0.00 O ATOM 675 CB GLU A 42 -7.544 -4.460 -6.236 1.00 0.00 C ATOM 676 CG GLU A 42 -7.835 -5.200 -7.532 1.00 0.00 C ATOM 677 CD GLU A 42 -9.299 -5.140 -7.923 1.00 0.00 C ATOM 678 OE1 GLU A 42 -10.142 -5.630 -7.142 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.602 -4.604 -9.008 1.00 0.00 O ATOM 0 H GLU A 42 -5.888 -3.377 -4.353 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.933 -3.570 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.254 -5.182 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.458 -3.978 -5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.231 -4.773 -8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.534 -6.242 -7.426 1.00 0.00 H new ATOM 686 N VAL A 43 -6.995 -1.317 -7.478 1.00 0.00 N ATOM 687 CA VAL A 43 -7.514 0.042 -7.558 1.00 0.00 C ATOM 688 C VAL A 43 -8.857 0.102 -8.280 1.00 0.00 C ATOM 689 O VAL A 43 -9.014 -0.437 -9.377 1.00 0.00 O ATOM 690 CB VAL A 43 -6.500 0.975 -8.256 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.102 2.350 -8.513 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.230 1.090 -7.422 1.00 0.00 C ATOM 0 H VAL A 43 -6.603 -1.674 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.670 0.383 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.246 0.539 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.364 2.984 -9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.979 2.250 -9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.394 2.802 -7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.523 1.750 -7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.474 1.499 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.783 0.103 -7.302 1.00 0.00 H new ATOM 702 N ARG A 44 -9.820 0.767 -7.649 1.00 0.00 N ATOM 703 CA ARG A 44 -11.156 0.914 -8.213 1.00 0.00 C ATOM 704 C ARG A 44 -11.710 2.308 -7.932 1.00 0.00 C ATOM 705 O ARG A 44 -12.204 2.578 -6.837 1.00 0.00 O ATOM 706 CB ARG A 44 -12.096 -0.141 -7.632 1.00 0.00 C ATOM 707 CG ARG A 44 -13.305 -0.431 -8.507 1.00 0.00 C ATOM 708 CD ARG A 44 -14.554 0.256 -7.977 1.00 0.00 C ATOM 709 NE ARG A 44 -15.741 -0.086 -8.757 1.00 0.00 N ATOM 710 CZ ARG A 44 -16.040 0.470 -9.930 1.00 0.00 C ATOM 711 NH1 ARG A 44 -15.246 1.391 -10.460 1.00 0.00 N ATOM 712 NH2 ARG A 44 -17.140 0.101 -10.574 1.00 0.00 N ATOM 0 H ARG A 44 -9.698 1.215 -6.741 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.086 0.776 -9.292 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.540 -1.066 -7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.439 0.191 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.108 -0.095 -9.525 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.472 -1.507 -8.553 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.710 -0.028 -6.936 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.408 1.336 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.377 -0.790 -8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.399 1.678 -9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.482 1.812 -11.359 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.754 -0.607 -10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.372 0.525 -11.472 1.00 0.00 H new ATOM 726 N GLY A 45 -11.626 3.191 -8.923 1.00 0.00 N ATOM 727 CA GLY A 45 -12.123 4.544 -8.752 1.00 0.00 C ATOM 728 C GLY A 45 -11.443 5.267 -7.602 1.00 0.00 C ATOM 729 O GLY A 45 -12.100 5.945 -6.812 1.00 0.00 O ATOM 0 H GLY A 45 -11.224 2.994 -9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.968 5.105 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.198 4.514 -8.575 1.00 0.00 H new ATOM 733 N ALA A 46 -10.123 5.109 -7.509 1.00 0.00 N ATOM 734 CA ALA A 46 -9.331 5.736 -6.450 1.00 0.00 C ATOM 735 C ALA A 46 -9.383 4.927 -5.153 1.00 0.00 C ATOM 736 O ALA A 46 -8.649 5.216 -4.208 1.00 0.00 O ATOM 737 CB ALA A 46 -9.783 7.168 -6.200 1.00 0.00 C ATOM 0 H ALA A 46 -9.575 4.547 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.296 5.756 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.177 7.608 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.666 7.751 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.831 7.172 -5.899 1.00 0.00 H new ATOM 743 N HIS A 47 -10.233 3.903 -5.116 1.00 0.00 N ATOM 744 CA HIS A 47 -10.347 3.054 -3.939 1.00 0.00 C ATOM 745 C HIS A 47 -9.440 1.843 -4.098 1.00 0.00 C ATOM 746 O HIS A 47 -9.506 1.143 -5.109 1.00 0.00 O ATOM 747 CB HIS A 47 -11.797 2.604 -3.741 1.00 0.00 C ATOM 748 CG HIS A 47 -12.426 3.147 -2.495 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.612 2.393 -1.355 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.914 4.378 -2.212 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.188 3.137 -0.427 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.381 4.345 -0.921 1.00 0.00 N ATOM 0 H HIS A 47 -10.850 3.644 -5.886 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.041 3.622 -3.060 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.387 2.917 -4.602 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.830 1.515 -3.710 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.933 5.228 -2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.455 2.811 0.567 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.808 5.127 -0.425 1.00 0.00 H new ATOM 761 N ILE A 48 -8.577 1.606 -3.119 1.00 0.00 N ATOM 762 CA ILE A 48 -7.652 0.484 -3.202 1.00 0.00 C ATOM 763 C ILE A 48 -7.535 -0.265 -1.882 1.00 0.00 C ATOM 764 O ILE A 48 -7.646 0.319 -0.806 1.00 0.00 O ATOM 765 CB ILE A 48 -6.246 0.950 -3.676 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.114 0.102 -3.058 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.033 2.425 -3.370 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.637 0.585 -1.700 1.00 0.00 C ATOM 0 H ILE A 48 -8.498 2.166 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.064 -0.204 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.209 0.806 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.459 -0.928 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.267 0.093 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.043 2.728 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.790 3.016 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.113 2.589 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.842 -0.068 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.258 1.603 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.468 0.567 -0.995 1.00 0.00 H new ATOM 780 N ASN A 49 -7.285 -1.566 -1.988 1.00 0.00 N ATOM 781 CA ASN A 49 -7.117 -2.420 -0.822 1.00 0.00 C ATOM 782 C ASN A 49 -5.885 -3.300 -1.000 1.00 0.00 C ATOM 783 O ASN A 49 -5.576 -3.736 -2.107 1.00 0.00 O ATOM 784 CB ASN A 49 -8.358 -3.290 -0.590 1.00 0.00 C ATOM 785 CG ASN A 49 -9.578 -2.805 -1.353 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.529 -2.292 -0.765 1.00 0.00 O ATOM 787 ND2 ASN A 49 -9.554 -2.966 -2.671 1.00 0.00 N ATOM 0 H ASN A 49 -7.194 -2.054 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.984 -1.784 0.053 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.136 -4.315 -0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.587 -3.308 0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.345 -2.659 -3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.744 -3.397 -3.118 1.00 0.00 H new ATOM 794 N TYR A 50 -5.189 -3.557 0.098 1.00 0.00 N ATOM 795 CA TYR A 50 -3.991 -4.382 0.078 1.00 0.00 C ATOM 796 C TYR A 50 -4.328 -5.799 0.512 1.00 0.00 C ATOM 797 O TYR A 50 -4.704 -6.019 1.657 1.00 0.00 O ATOM 798 CB TYR A 50 -2.945 -3.810 1.039 1.00 0.00 C ATOM 799 CG TYR A 50 -2.342 -2.490 0.606 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.655 -2.375 -0.595 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.458 -1.360 1.407 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.100 -1.169 -0.985 1.00 0.00 C ATOM 803 CE2 TYR A 50 -1.906 -0.152 1.023 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.229 -0.064 -0.174 1.00 0.00 C ATOM 805 OH TYR A 50 -0.679 1.137 -0.560 1.00 0.00 O ATOM 0 H TYR A 50 -5.437 -3.202 1.022 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.594 -4.391 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.404 -3.680 2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.143 -4.539 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.552 -3.239 -1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.988 -1.427 2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.568 -1.095 -1.922 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.005 0.717 1.657 1.00 0.00 H new ATOM 0 HH TYR A 50 0.273 1.013 -0.755 1.00 0.00 H new ATOM 815 N TRP A 51 -4.182 -6.755 -0.391 1.00 0.00 N ATOM 816 CA TRP A 51 -4.465 -8.142 -0.059 1.00 0.00 C ATOM 817 C TRP A 51 -3.165 -8.934 0.012 1.00 0.00 C ATOM 818 O TRP A 51 -2.695 -9.474 -0.990 1.00 0.00 O ATOM 819 CB TRP A 51 -5.423 -8.763 -1.081 1.00 0.00 C ATOM 820 CG TRP A 51 -5.621 -10.237 -0.898 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.308 -10.852 0.108 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.128 -11.282 -1.745 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.273 -12.215 -0.060 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.554 -12.505 -1.191 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.369 -11.303 -2.919 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.246 -13.731 -1.771 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.064 -12.523 -3.493 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.502 -13.723 -2.919 1.00 0.00 C ATOM 0 H TRP A 51 -3.872 -6.599 -1.350 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.951 -8.175 0.916 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.389 -8.263 -1.011 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.040 -8.578 -2.085 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.807 -10.341 0.918 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.711 -12.900 0.556 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.027 -10.383 -3.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.583 -14.658 -1.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.478 -12.551 -4.400 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.248 -14.660 -3.392 1.00 0.00 H new ATOM 839 N ASP A 52 -2.581 -8.984 1.204 1.00 0.00 N ATOM 840 CA ASP A 52 -1.321 -9.691 1.410 1.00 0.00 C ATOM 841 C ASP A 52 -1.483 -11.193 1.223 1.00 0.00 C ATOM 842 O ASP A 52 -2.585 -11.732 1.324 1.00 0.00 O ATOM 843 CB ASP A 52 -0.766 -9.412 2.805 1.00 0.00 C ATOM 844 CG ASP A 52 0.016 -8.115 2.866 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.605 -7.039 2.735 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.251 -8.174 3.041 1.00 0.00 O ATOM 0 H ASP A 52 -2.959 -8.544 2.043 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.621 -9.322 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.589 -9.371 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.121 -10.237 3.108 1.00 0.00 H new ATOM 851 N ASP A 53 -0.365 -11.859 0.958 1.00 0.00 N ATOM 852 CA ASP A 53 -0.359 -13.303 0.765 1.00 0.00 C ATOM 853 C ASP A 53 -0.258 -14.035 2.103 1.00 0.00 C ATOM 854 O ASP A 53 -0.465 -15.245 2.171 1.00 0.00 O ATOM 855 CB ASP A 53 0.805 -13.710 -0.140 1.00 0.00 C ATOM 856 CG ASP A 53 0.686 -13.127 -1.535 1.00 0.00 C ATOM 857 OD1 ASP A 53 0.282 -11.951 -1.653 1.00 0.00 O ATOM 858 OD2 ASP A 53 0.993 -13.847 -2.507 1.00 0.00 O ATOM 0 H ASP A 53 0.551 -11.420 0.872 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.299 -13.584 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.742 -13.382 0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.847 -14.797 -0.206 1.00 0.00 H new ATOM 863 N THR A 54 0.066 -13.298 3.167 1.00 0.00 N ATOM 864 CA THR A 54 0.196 -13.895 4.494 1.00 0.00 C ATOM 865 C THR A 54 -1.119 -13.843 5.268 1.00 0.00 C ATOM 866 O THR A 54 -1.128 -13.880 6.499 1.00 0.00 O ATOM 867 CB THR A 54 1.305 -13.201 5.288 1.00 0.00 C ATOM 868 OG1 THR A 54 1.546 -13.879 6.507 1.00 0.00 O ATOM 869 CG2 THR A 54 0.995 -11.759 5.619 1.00 0.00 C ATOM 0 H THR A 54 0.242 -12.294 3.135 1.00 0.00 H new ATOM 0 HA THR A 54 0.460 -14.944 4.357 1.00 0.00 H new ATOM 0 HB THR A 54 2.181 -13.226 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.695 -14.042 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.823 -11.329 6.182 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.853 -11.196 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.085 -11.711 6.218 1.00 0.00 H new ATOM 877 N GLY A 55 -2.225 -13.788 4.539 1.00 0.00 N ATOM 878 CA GLY A 55 -3.534 -13.766 5.164 1.00 0.00 C ATOM 879 C GLY A 55 -3.933 -12.420 5.746 1.00 0.00 C ATOM 880 O GLY A 55 -4.738 -12.366 6.675 1.00 0.00 O ATOM 0 H GLY A 55 -2.239 -13.758 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.279 -14.064 4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.556 -14.512 5.959 1.00 0.00 H new ATOM 884 N PHE A 56 -3.397 -11.326 5.205 1.00 0.00 N ATOM 885 CA PHE A 56 -3.746 -10.004 5.695 1.00 0.00 C ATOM 886 C PHE A 56 -4.383 -9.195 4.580 1.00 0.00 C ATOM 887 O PHE A 56 -4.257 -9.526 3.401 1.00 0.00 O ATOM 888 CB PHE A 56 -2.499 -9.287 6.243 1.00 0.00 C ATOM 889 CG PHE A 56 -2.474 -7.789 6.018 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.449 -7.259 4.734 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.481 -6.916 7.095 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.434 -5.891 4.530 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.464 -5.548 6.897 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.443 -5.035 5.614 1.00 0.00 C ATOM 0 H PHE A 56 -2.727 -11.334 4.436 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.463 -10.105 6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.428 -9.480 7.313 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.614 -9.724 5.781 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.441 -7.924 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.500 -7.309 8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.415 -5.493 3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.467 -4.880 7.745 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.434 -3.966 5.459 1.00 0.00 H new ATOM 904 N THR A 57 -5.036 -8.111 4.960 1.00 0.00 N ATOM 905 CA THR A 57 -5.657 -7.225 3.990 1.00 0.00 C ATOM 906 C THR A 57 -5.934 -5.858 4.600 1.00 0.00 C ATOM 907 O THR A 57 -6.300 -5.747 5.769 1.00 0.00 O ATOM 908 CB THR A 57 -6.944 -7.820 3.406 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.082 -7.073 3.808 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.195 -9.266 3.786 1.00 0.00 C ATOM 0 H THR A 57 -5.150 -7.823 5.932 1.00 0.00 H new ATOM 0 HA THR A 57 -4.949 -7.106 3.170 1.00 0.00 H new ATOM 0 HB THR A 57 -6.793 -7.773 2.328 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.889 -7.472 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.125 -9.606 3.330 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.370 -9.884 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.270 -9.349 4.870 1.00 0.00 H new ATOM 918 N ALA A 58 -5.753 -4.819 3.794 1.00 0.00 N ATOM 919 CA ALA A 58 -5.982 -3.449 4.255 1.00 0.00 C ATOM 920 C ALA A 58 -6.603 -2.587 3.160 1.00 0.00 C ATOM 921 O ALA A 58 -6.034 -2.430 2.086 1.00 0.00 O ATOM 922 CB ALA A 58 -4.678 -2.832 4.737 1.00 0.00 C ATOM 0 H ALA A 58 -5.450 -4.894 2.823 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.686 -3.489 5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.862 -1.813 5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.278 -3.423 5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.958 -2.817 3.919 1.00 0.00 H new ATOM 928 N ASP A 59 -7.774 -2.025 3.441 1.00 0.00 N ATOM 929 CA ASP A 59 -8.466 -1.182 2.470 1.00 0.00 C ATOM 930 C ASP A 59 -8.043 0.281 2.591 1.00 0.00 C ATOM 931 O ASP A 59 -7.559 0.717 3.634 1.00 0.00 O ATOM 932 CB ASP A 59 -9.980 -1.301 2.649 1.00 0.00 C ATOM 933 CG ASP A 59 -10.425 -0.947 4.056 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.056 -1.681 4.997 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.143 0.063 4.214 1.00 0.00 O ATOM 0 H ASP A 59 -8.263 -2.137 4.329 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.190 -1.531 1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.480 -0.645 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.292 -2.320 2.418 1.00 0.00 H new ATOM 940 N GLY A 60 -8.235 1.029 1.507 1.00 0.00 N ATOM 941 CA GLY A 60 -7.876 2.436 1.490 1.00 0.00 C ATOM 942 C GLY A 60 -8.500 3.165 0.314 1.00 0.00 C ATOM 943 O GLY A 60 -9.325 2.599 -0.404 1.00 0.00 O ATOM 0 H GLY A 60 -8.635 0.682 0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.199 2.904 2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.791 2.533 1.443 1.00 0.00 H new ATOM 947 N ASP A 61 -8.108 4.419 0.110 1.00 0.00 N ATOM 948 CA ASP A 61 -8.645 5.211 -0.992 1.00 0.00 C ATOM 949 C ASP A 61 -7.844 6.493 -1.195 1.00 0.00 C ATOM 950 O ASP A 61 -7.561 7.217 -0.240 1.00 0.00 O ATOM 951 CB ASP A 61 -10.114 5.551 -0.735 1.00 0.00 C ATOM 952 CG ASP A 61 -10.357 6.041 0.680 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.619 5.200 1.564 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.282 7.268 0.903 1.00 0.00 O ATOM 0 H ASP A 61 -7.425 4.907 0.689 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.568 4.613 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.436 6.316 -1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.726 4.668 -0.921 1.00 0.00 H new ATOM 959 N PHE A 62 -7.493 6.773 -2.446 1.00 0.00 N ATOM 960 CA PHE A 62 -6.738 7.974 -2.775 1.00 0.00 C ATOM 961 C PHE A 62 -7.608 9.213 -2.636 1.00 0.00 C ATOM 962 O PHE A 62 -8.524 9.438 -3.428 1.00 0.00 O ATOM 963 CB PHE A 62 -6.186 7.905 -4.204 1.00 0.00 C ATOM 964 CG PHE A 62 -5.383 6.668 -4.518 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.850 5.872 -3.513 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.154 6.309 -5.839 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.110 4.747 -3.822 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.414 5.186 -6.149 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.892 4.404 -5.140 1.00 0.00 C ATOM 0 H PHE A 62 -7.720 6.184 -3.247 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.905 8.036 -2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.020 7.965 -4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.560 8.780 -4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.016 6.135 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.560 6.916 -6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.702 4.136 -3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.244 4.920 -7.182 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.314 3.525 -5.382 1.00 0.00 H new ATOM 979 N VAL A 63 -7.309 10.016 -1.628 1.00 0.00 N ATOM 980 CA VAL A 63 -8.057 11.245 -1.383 1.00 0.00 C ATOM 981 C VAL A 63 -7.569 12.380 -2.279 1.00 0.00 C ATOM 982 O VAL A 63 -8.270 13.372 -2.476 1.00 0.00 O ATOM 983 CB VAL A 63 -7.959 11.696 0.089 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.940 10.920 0.953 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.537 11.544 0.609 1.00 0.00 C ATOM 0 H VAL A 63 -6.554 9.842 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.098 11.020 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.223 12.752 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.856 11.252 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.955 11.095 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.713 9.855 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.493 11.868 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.235 10.499 0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.863 12.156 0.009 1.00 0.00 H new ATOM 995 N SER A 64 -6.361 12.230 -2.818 1.00 0.00 N ATOM 996 CA SER A 64 -5.786 13.246 -3.690 1.00 0.00 C ATOM 997 C SER A 64 -4.875 12.611 -4.737 1.00 0.00 C ATOM 998 O SER A 64 -4.867 11.393 -4.908 1.00 0.00 O ATOM 999 CB SER A 64 -5.000 14.269 -2.867 1.00 0.00 C ATOM 1000 OG SER A 64 -4.519 15.321 -3.685 1.00 0.00 O ATOM 0 H SER A 64 -5.765 11.417 -2.666 1.00 0.00 H new ATOM 0 HA SER A 64 -6.603 13.753 -4.204 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.638 14.677 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.163 13.777 -2.373 1.00 0.00 H new ATOM 0 HG SER A 64 -4.022 15.962 -3.135 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.112 13.446 -5.434 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.199 12.965 -6.463 1.00 0.00 C ATOM 1008 C ALA A 65 -1.883 12.492 -5.855 1.00 0.00 C ATOM 1009 O ALA A 65 -1.214 11.618 -6.406 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.944 14.058 -7.491 1.00 0.00 C ATOM 0 H ALA A 65 -4.108 14.458 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.665 12.113 -6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.260 13.687 -8.255 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.886 14.347 -7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.502 14.924 -6.999 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.514 13.073 -4.717 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.275 12.708 -4.039 1.00 0.00 C ATOM 1018 C ASN A 66 -0.536 12.226 -2.611 1.00 0.00 C ATOM 1019 O ASN A 66 0.398 11.873 -1.891 1.00 0.00 O ATOM 1020 CB ASN A 66 0.687 13.899 -4.018 1.00 0.00 C ATOM 1021 CG ASN A 66 1.760 13.813 -5.095 1.00 0.00 C ATOM 1022 OD1 ASN A 66 2.873 14.303 -4.909 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.436 13.191 -6.225 1.00 0.00 N ATOM 0 H ASN A 66 -2.055 13.798 -4.246 1.00 0.00 H new ATOM 0 HA ASN A 66 0.176 11.886 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.120 14.820 -4.150 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.165 13.957 -3.040 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.121 13.107 -6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.502 12.798 -6.341 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.803 12.210 -2.202 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.161 11.767 -0.859 1.00 0.00 C ATOM 1032 C GLU A 67 -2.825 10.394 -0.902 1.00 0.00 C ATOM 1033 O GLU A 67 -3.511 10.053 -1.866 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.093 12.780 -0.191 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.803 12.991 1.285 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.597 14.139 1.877 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -3.546 15.251 1.310 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -4.271 13.926 2.906 1.00 0.00 O ATOM 0 H GLU A 67 -2.594 12.497 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.246 11.692 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.009 13.735 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.124 12.444 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.032 12.076 1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.738 13.183 1.418 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.608 9.607 0.146 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.174 8.268 0.231 1.00 0.00 C ATOM 1047 C LEU A 68 -3.836 8.056 1.584 1.00 0.00 C ATOM 1048 O LEU A 68 -3.331 8.511 2.610 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.064 7.232 -0.019 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.270 5.807 0.536 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.481 5.789 2.041 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.425 5.127 -0.175 1.00 0.00 C ATOM 0 H LEU A 68 -2.042 9.876 0.951 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.943 8.146 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.916 7.154 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.139 7.625 0.402 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.352 5.252 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.621 4.761 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.609 6.217 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.365 6.376 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.559 4.123 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.337 5.704 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.210 5.065 -1.242 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.957 7.350 1.583 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.676 7.062 2.817 1.00 0.00 C ATOM 1066 C HIS A 69 -5.918 5.565 2.963 1.00 0.00 C ATOM 1067 O HIS A 69 -6.746 4.990 2.260 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.011 7.801 2.855 1.00 0.00 C ATOM 1069 CG HIS A 69 -6.940 9.143 3.516 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -8.050 9.795 4.012 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -5.887 9.957 3.766 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -7.681 10.951 4.536 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -6.375 11.071 4.400 1.00 0.00 N ATOM 0 H HIS A 69 -5.389 6.966 0.743 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.059 7.406 3.647 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.375 7.927 1.835 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.742 7.186 3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.855 9.765 3.513 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.337 11.674 4.997 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.817 11.865 4.716 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.197 4.942 3.886 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.350 3.510 4.122 1.00 0.00 C ATOM 1084 C HIS A 70 -5.203 3.189 5.608 1.00 0.00 C ATOM 1085 O HIS A 70 -4.307 3.703 6.278 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.337 2.714 3.283 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.116 2.273 4.033 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -2.935 0.984 4.483 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -2.014 2.961 4.408 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.772 0.897 5.105 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.194 2.083 5.073 1.00 0.00 N ATOM 0 H HIS A 70 -4.506 5.400 4.480 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.353 3.215 3.813 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.834 1.834 2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.026 3.326 2.436 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.816 4.006 4.220 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.364 0.007 5.562 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.285 2.311 5.477 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.093 2.345 6.117 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.048 1.983 7.520 1.00 0.00 C ATOM 1102 C GLY A 71 -6.148 3.196 8.426 1.00 0.00 C ATOM 1103 O GLY A 71 -5.737 3.150 9.585 1.00 0.00 O ATOM 0 H GLY A 71 -6.844 1.906 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.864 1.296 7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.119 1.452 7.727 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.693 4.285 7.891 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.834 5.503 8.666 1.00 0.00 C ATOM 1109 C GLY A 72 -5.542 6.292 8.743 1.00 0.00 C ATOM 1110 O GLY A 72 -5.335 7.062 9.680 1.00 0.00 O ATOM 0 H GLY A 72 -7.039 4.345 6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.611 6.125 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.164 5.253 9.674 1.00 0.00 H new ATOM 1114 N MET A 73 -4.666 6.098 7.762 1.00 0.00 N ATOM 1115 CA MET A 73 -3.391 6.795 7.730 1.00 0.00 C ATOM 1116 C MET A 73 -3.306 7.726 6.529 1.00 0.00 C ATOM 1117 O MET A 73 -4.088 7.613 5.586 1.00 0.00 O ATOM 1118 CB MET A 73 -2.250 5.778 7.676 1.00 0.00 C ATOM 1119 CG MET A 73 -1.592 5.533 9.022 1.00 0.00 C ATOM 1120 SD MET A 73 -2.331 4.153 9.915 1.00 0.00 S ATOM 1121 CE MET A 73 -1.475 2.769 9.168 1.00 0.00 C ATOM 0 H MET A 73 -4.819 5.462 6.979 1.00 0.00 H new ATOM 0 HA MET A 73 -3.306 7.396 8.635 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.634 4.833 7.291 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.496 6.127 6.970 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.530 5.337 8.873 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.668 6.435 9.629 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.825 1.839 9.617 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.676 2.752 8.097 1.00 0.00 H new ATOM 0 HE3 MET A 73 -0.403 2.872 9.335 1.00 0.00 H new ATOM 1131 N THR A 74 -2.341 8.634 6.564 1.00 0.00 N ATOM 1132 CA THR A 74 -2.136 9.572 5.470 1.00 0.00 C ATOM 1133 C THR A 74 -0.757 9.370 4.861 1.00 0.00 C ATOM 1134 O THR A 74 0.259 9.710 5.469 1.00 0.00 O ATOM 1135 CB THR A 74 -2.288 11.014 5.956 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.426 11.144 6.790 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.431 12.012 4.825 1.00 0.00 C ATOM 0 H THR A 74 -1.687 8.741 7.339 1.00 0.00 H new ATOM 0 HA THR A 74 -2.894 9.384 4.709 1.00 0.00 H new ATOM 0 HB THR A 74 -1.371 11.235 6.502 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.506 12.073 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.535 13.016 5.237 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.547 11.970 4.189 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.314 11.769 4.235 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.727 8.798 3.667 1.00 0.00 N ATOM 1146 CA PHE A 75 0.530 8.528 2.981 1.00 0.00 C ATOM 1147 C PHE A 75 0.709 9.440 1.770 1.00 0.00 C ATOM 1148 O PHE A 75 -0.167 9.532 0.913 1.00 0.00 O ATOM 1149 CB PHE A 75 0.570 7.063 2.552 1.00 0.00 C ATOM 1150 CG PHE A 75 1.018 6.134 3.635 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.364 5.894 3.853 1.00 0.00 C ATOM 1152 CD2 PHE A 75 0.087 5.500 4.437 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.773 5.035 4.852 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.488 4.640 5.440 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.833 4.406 5.648 1.00 0.00 C ATOM 0 H PHE A 75 -1.559 8.511 3.151 1.00 0.00 H new ATOM 0 HA PHE A 75 1.351 8.730 3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.423 6.764 2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.239 6.961 1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.101 6.384 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.966 5.680 4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.826 4.854 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.249 4.151 6.061 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.150 3.733 6.431 1.00 0.00 H new ATOM 1165 N TYR A 76 1.856 10.110 1.709 1.00 0.00 N ATOM 1166 CA TYR A 76 2.157 11.011 0.604 1.00 0.00 C ATOM 1167 C TYR A 76 3.151 10.367 -0.353 1.00 0.00 C ATOM 1168 O TYR A 76 4.018 9.598 0.064 1.00 0.00 O ATOM 1169 CB TYR A 76 2.716 12.332 1.133 1.00 0.00 C ATOM 1170 CG TYR A 76 1.890 12.928 2.248 1.00 0.00 C ATOM 1171 CD1 TYR A 76 1.974 12.429 3.540 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.026 13.988 2.008 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.218 12.967 4.563 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.266 14.534 3.026 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.365 14.019 4.300 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.389 14.560 5.317 1.00 0.00 O ATOM 0 H TYR A 76 2.592 10.045 2.413 1.00 0.00 H new ATOM 0 HA TYR A 76 1.233 11.213 0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.733 12.171 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.776 13.047 0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.642 11.606 3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.946 14.393 1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.294 12.566 5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.401 15.359 2.824 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.936 15.293 4.965 1.00 0.00 H new ATOM 1186 N ARG A 77 3.013 10.670 -1.637 1.00 0.00 N ATOM 1187 CA ARG A 77 3.895 10.101 -2.649 1.00 0.00 C ATOM 1188 C ARG A 77 5.287 10.716 -2.603 1.00 0.00 C ATOM 1189 O ARG A 77 5.437 11.931 -2.518 1.00 0.00 O ATOM 1190 CB ARG A 77 3.311 10.290 -4.045 1.00 0.00 C ATOM 1191 CG ARG A 77 3.770 9.240 -5.043 1.00 0.00 C ATOM 1192 CD ARG A 77 2.807 8.067 -5.093 1.00 0.00 C ATOM 1193 NE ARG A 77 1.724 8.293 -6.047 1.00 0.00 N ATOM 1194 CZ ARG A 77 1.825 8.069 -7.355 1.00 0.00 C ATOM 1195 NH1 ARG A 77 2.961 7.616 -7.873 1.00 0.00 N ATOM 1196 NH2 ARG A 77 0.789 8.299 -8.150 1.00 0.00 N ATOM 0 H ARG A 77 2.302 11.304 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 77 3.980 9.037 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.223 10.267 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.588 11.277 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.852 9.688 -6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.764 8.886 -4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.350 7.163 -5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.388 7.898 -4.101 1.00 0.00 H new ATOM 0 HE ARG A 77 0.836 8.644 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.762 7.438 -7.268 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.032 7.446 -8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.086 8.648 -7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.867 8.127 -9.152 1.00 0.00 H new ATOM 1210 N GLU A 78 6.286 9.841 -2.691 1.00 0.00 N ATOM 1211 CA GLU A 78 7.707 10.198 -2.692 1.00 0.00 C ATOM 1212 C GLU A 78 8.071 11.250 -1.636 1.00 0.00 C ATOM 1213 O GLU A 78 8.961 11.026 -0.818 1.00 0.00 O ATOM 1214 CB GLU A 78 8.131 10.617 -4.111 1.00 0.00 C ATOM 1215 CG GLU A 78 8.687 12.031 -4.251 1.00 0.00 C ATOM 1216 CD GLU A 78 7.604 13.068 -4.478 1.00 0.00 C ATOM 1217 OE1 GLU A 78 6.800 12.891 -5.417 1.00 0.00 O ATOM 1218 OE2 GLU A 78 7.559 14.057 -3.716 1.00 0.00 O ATOM 0 H GLU A 78 6.128 8.836 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 78 8.274 9.313 -2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.885 9.914 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.269 10.520 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.246 12.287 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.391 12.059 -5.083 1.00 0.00 H new ATOM 1225 N LYS A 79 7.394 12.387 -1.660 1.00 0.00 N ATOM 1226 CA LYS A 79 7.659 13.459 -0.707 1.00 0.00 C ATOM 1227 C LYS A 79 9.074 14.004 -0.881 1.00 0.00 C ATOM 1228 O LYS A 79 9.231 15.022 -1.588 1.00 0.00 O ATOM 1229 CB LYS A 79 7.469 12.962 0.730 1.00 0.00 C ATOM 1230 CG LYS A 79 6.022 12.987 1.195 1.00 0.00 C ATOM 1231 CD LYS A 79 5.899 12.566 2.652 1.00 0.00 C ATOM 1232 CE LYS A 79 4.939 13.467 3.413 1.00 0.00 C ATOM 1233 NZ LYS A 79 5.657 14.522 4.181 1.00 0.00 N ATOM 1234 OXT LYS A 79 10.011 13.409 -0.310 1.00 0.00 O ATOM 0 H LYS A 79 6.654 12.594 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 79 6.948 14.262 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.849 11.943 0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.068 13.577 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.615 13.990 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.426 12.321 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.551 11.534 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.881 12.597 3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.248 13.935 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.340 12.865 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.967 15.115 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.298 14.076 4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.208 15.113 3.527 1.00 0.00 H new TER 1248 LYS A 79